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Architecture of Advanced Numerical Analysis System

This document discusses the design of a scientific computing system called Owl that is built using OCaml. It focuses on the core optimizations of Owl, including using n-dimensional arrays to represent data, interfacing OCaml with C for performance-critical code, and optimizing computations through parallel computing, vectorization, and memory techniques. Some specific optimization techniques discussed are hardware parallelization, cache optimization, and other techniques to improve performance. The document is intended for researchers interested in the architecture and optimizations of the Owl system.

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Architecture of Advanced Numerical Analysis System

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Architecture of

Advanced Numerical
Analysis Systems
Designing a Scientific Computing System
using OCaml
—
Liang Wang
Jianxin Zhao
Architecture of Advanced
Numerical Analysis
Systems
Designing a Scientific Computing
System using OCaml

Liang Wang
Jianxin Zhao
Architecture of Advanced Numerical Analysis Systems: Designing a Scientific Computing
System using OCaml

Liang Wang Jianxin Zhao

Helsinki, Finland Bejing, China

ISBN-13 (pbk): 978-1-4842-8852-8 ISBN-13 (electronic): 978-1-4842-8853-5

https://doi.org/10.1007/978-1-4842-8853-5

Copyright © 2023 by Liang Wang, Jianxin Zhao

This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is
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Open Access This book is licensed under the terms of the Creative Commons Attribution 4.0
International License (http://creativecommons.org/licenses/by/4.0/), which permits use, sharing,
adaptation, distribution and reproduction in any medium or format, as long as you give appropriate
credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes
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The images or other third party material in this book are included in the book’s Creative Commons license, unless
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Printed on acid-free paper
To my wife Maria, our daughters Matilda and Sofia,
and my beloved family.
—Liang
To my parents and sister; to their unyielding love and support.
To all those who are fighting for freedom and righteousness against the
unleashing evil from hell.
“Namárië, ar nai aistalë Eldar ar Atani ar ilyë Léralieron hilya le. Eleni
sílar antalyannar.”
—Jianxin
Table of Contents
About the Authors�� xi

Acknowledgments�� xiii

Chapter 1: Introduction�� 1
1.1 Numerical Computing in OCaml�� 1
1.2 Architecture�� 3
Basic Computing and Analytics with Owl�� 4
Advanced Design in Owl�� 5
Hardware and Deployment�� 6
Research on Owl�� 7
1.3 Summary�� 8

Chapter 2: Core Optimizations�� 9

2.1 N-Dimensional Array in Owl�� 9
2.2 Interface OCaml to C�� 12
2.3 Core Optimization of Computation�� 15
CPU Support of Parallel Computing�� 17
Vectorization�� 17
Memory�� 21
2.4 Optimization Techniques�� 26
Hardware Parallelization�� 26
Cache Optimization�� 27
Other Techniques�� 31
2.5 Example: Convolution�� 32
2.6 Automated Empirical Optimization of Software�� 42
2.7 Summary�� 47

v
Table of Contents

Chapter 3: Algorithmic Differentiation�� 49

3.1 Introduction�� 49
Three Ways of Differentiating�� 50
Architecture of Algodiff Module�� 51
3.2 Types�� 53
Forward and Reverse Modes�� 54
Data Types�� 58
Operations on AD Type�� 61
3.3 Operators�� 63
Calculation Rules�� 63
Generalize Rules into Builder Template�� 66
3.4 API�� 70
Low-Level APIs�� 70
High-Level APIs�� 73
3.5 More Implementation Details�� 76
Perturbation Confusion and Tag�� 76
Lazy Evaluation�� 77
Extending AD�� 79
Graph Utility�� 80
3.6 How AD Is Built upon Ndarray�� 81
3.7 Summary�� 85

Chapter 4: Mathematical Optimization�� 87

4.1 Gradient Descent�� 88
4.2 Components�� 89
Learning Rate�� 90
Momentum�� 98
Batch�� 100
Checkpoint�� 101
4.3 Gradient Descent Implementation�� 106

vi
Table of Contents

4.4 Regression�� 111

Linear Regression�� 112
Loss�� 112
Implementation of Linear Regression�� 113
Other Types of Regression�� 116
Regularization�� 117
4.5 Summary�� 119

Chapter 5: Deep Neural Networks�� 121

5.1 Module Architecture�� 121
5.2 Neurons�� 123
Core Functions�� 124
Activation Module�� 126
5.3 Networks�� 127
5.4 Training�� 130
Forward and Backward Pass�� 131
5.5 Neural Network Compiler�� 133
5.6 Case Study: Object Detection�� 138
Object Detection Network Architectures�� 140
Implementation of Mask R-CNN�� 142
5.7 Summary�� 147

Chapter 6: Computation Graph�� 149

6.1 The Definition of Computation Graph�� 149
Dynamic Graph and Static Graph�� 150
Significance in Computing�� 152
6.2 Applications Inside the Computing System�� 153
Basic Numerical Operations�� 153
Algorithmic Differentiation with CGraph�� 155
Deep Neural Network�� 158
6.3 Design of Computation Graph Module�� 160
Computing Device�� 163

vii
Table of Contents

Types of Operation�� 166

Shape Inference�� 167
Creating and Linking Nodes�� 169
Optimization of Graph Structure�� 173
Computation Engine�� 180
6.4 Optimizing Memory Usage in Computation Graph�� 183
6.5 Summary�� 188

Chapter 7: Performance Accelerators�� 191

7.1 Hardware Accelerators�� 191
Utilizing Accelerators�� 193
7.2 Design�� 194
Core Abstraction�� 195
Engines�� 202
7.3 ONNX Engine�� 202
Example 1: Basic Operations�� 204
Example 2: Variable Initialization�� 205
Example 3: Neural Network�� 206
7.4 LaTeX Engine�� 208
7.5 Owl Engine�� 210
7.6 Summary�� 212

Chapter 8: Compiler Backends�� 215

8.1 Base Library�� 215
8.2 Backend: JavaScript�� 217
Native OCaml�� 218
Facebook Reason�� 220
8.3 Backend: MirageOS�� 221
Example: Gradient Descent�� 221
Example: Neural Network�� 224
8.4 Evaluation�� 225
8.5 Summary�� 228

viii
Table of Contents

Chapter 9: Composition and Deployment�� 229

9.1 Script Sharing with Zoo�� 229
Example�� 229
Version Control�� 231
9.2 Service Deployment and Composition�� 233
9.3 System Design�� 235
Service�� 236
Type Checking�� 236
DSL�� 237
Service Discovery�� 238
9.4 Use Case�� 238
9.5 Discussion�� 239
9.6 Summary�� 240

Chapter 10: Distributed Computing�� 243

10.1 Distributed Machine Learning�� 243
10.2 The Actor Distributed Engine�� 245
Map-Reduce Engine�� 245
Parameter Server Engine�� 246
Compose Actor with Owl�� 249
10.3 Synchronization: Barrier Control Methods�� 252
10.4 System Design Space and Parameters�� 256
Compatibility�� 260
10.5 Convergence Analysis�� 264
How Effective Is Sampling�� 266
Implementation Technique�� 268
10.6 Evaluation�� 269
Experiment Setup�� 269
System Progress�� 272
Sampling Settings�� 275
10.7 Summary�� 278

ix
Table of Contents

Chapter 11: Testing Framework�� 281

11.1 Unit Test�� 281
11.2 Example�� 282
11.3 What Could Go Wrong�� 287
Corner Cases�� 287
Test Coverage�� 288
11.4 Use Functor�� 288
11.5 Performance Tests�� 289
11.6 Summary�� 291

Appendix A: Basic Analytics Examples�� 293

Appendix B: System Conventions�� 303

Appendix C: Metric Systems and Constants�� 311

Appendix D: Algodiff Module�� 325

Appendix E: Neural Network Module�� 363

Appendix F: Actor System for Distributed Computing�� 423

Bibliography�� 457

Index�� 465

x
About the Authors
Liang Wang is the Chief AI Architect at Nokia, the Chief
Scientific Officer at iKVA, a Senior Researcher at the
University of Cambridge, and an Intel Software Innovator.
He has a broad research interest in artificial intelligence,
machine learning, operating systems, computer networks,
optimization theory, and graph theory.

Jianxin Zhao is a PhD graduate from the University of

Cambridge. His research interests include numerical
computation, artificial intelligence, decentralized systems,
and their application in the real world.

xi
Acknowledgments
Developing a full-featured numerical-analysis system is very complicated. Writing a
book to dive deep into its architecture is an even more challenging task. It not only
requires skills, enthusiasm, persistence, but also needs strong support from families,
colleagues, and communities. For years, we have received so much help from so many
individuals and organizations that it is almost impossible to make an exhaustive list.
Nonetheless, we would particularly like to emphasize that Owl is developed on top of
an enormous amount of previous work. Without the continuous efforts of these projects
and the intellectual contributions of these people over the years, it would be impossible
for us to create this system and deliver this book.
We give our most hearty thanks to those who contribute to the Owl project. Marcello
Seri and Ta-Chu Kao developed owl-ode, an Ordinary Differential Equation solver
library based on Owl. Pierre Vandenhove worked on the memory optimization of the
computation graph module during his internship at the OCaml Labs in Cambridge.
Tudor Tiplea participated in developing the base library in Owl so that it could run on
various backends such as browsers. Ben Catterall’s thesis work on the PSP provided a
theoretical foundation for the Actor system.
We would like to express our sincerest gratitude and appreciation to the OCaml
Software Foundation1 and Ahrefs2 for fully sponsoring this open access book as well
as their long-term support to the Owl project.

1
http://ocaml-sf.org/
2
https://ahrefs.com/

xiii
CHAPTER 1

Introduction
This book introduces Owl, a numerical library we have been developing and
maintaining for years. We develop Owl for scientific and engineering computing in the
OCaml language. It focuses on providing a comprehensive set of high-level numerical
functions so that developers can quickly build up any data analytical applications. Over
years of intensive development and continuous optimization, Owl has evolved into
a powerful software system with competitive performance compared to mainstream
numerical libraries. Meanwhile, Owl’s overall architecture remains simple and elegant.
Its small codebase can be easily managed by a small group of developers.
In this book, we are going to introduce the design and architecture of Owl, from
its designers’ perspective. The target audience is anyone who is interested in not only
how to use mathematical functions in numerical applications but also how they are
designed, organized, and implemented from scratch. Some prerequisites are needed
though. We assume the readers are familiar with basic syntax of the OCaml language.
We recommend [38] as a good reference book on this matter. Also note that this book
focuses on introducing core parts of the Owl codebase, such as the implementation
and design of various key modules. If you are more interested in how to use the
functionalities provided in Owl to solve numerical problems, such as basic mathematical
calculation, linear algebra, statistics, signal processing, etc., please refer to our book
OCaml Scientific Computing: Functional Programming in Data Science and Artificial
Intelligence [26].

1.1 Numerical Computing in OCaml

Scientific computing is a rapidly evolving multidisciplinary field that uses advanced
computing capabilities to understand and solve complex problems in the real world.
It is widely used in various fields in research and industry, for example, simulations in
biology and physics, weather forecasting, revenue optimization in finance, etc. One

1
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_1
Chapter 1 Introduction

most recent hot topic in scientific computing is machine learning. Thanks to the recent
advances in machine learning and deep neural networks, there is a huge demand on
various numerical tools and libraries in order to facilitate both academic researchers and
industrial developers to fast prototype and test their new ideas, then develop and deploy
analytical applications at a large scale.
Take deep neural networks as an example; Google invests heavily in TensorFlow,
while Facebook promotes their PyTorch. Beyond these libraries focusing on one
specific numerical task, the interest on general-purpose tools like Python and Julia
also grows fast. Python has been one popular choice among developers for fast
prototyping analytical applications. One important reason is SciPy and NumPy libraries,
tightly integrated with other advanced functionality such as plotting, offer a powerful
environment which lets developers write very concise code to finish complicated
numerical tasks. As a result, most frameworks provide Python bindings to take
advantage of the existing numerical infrastructure in NumPy and SciPy.
On the other hand, back before Owl was developed, the support of basic scientific
computing in OCaml was rather fragmented. There had been some initial efforts (e.g.,
Lacaml, Oml, Pareto, etc.), but their APIs were either too low level to offer satisfying
productivity or the designs overly focused on a specific problem domain. Moreover,
inconsistent data representation and excessive use of abstract types made it difficult to
exchange data across different libraries. Consequently, developers often had to write
a significant amount of boilerplate code just to finish rather trivial numerical tasks.
There was a severe lack of a general-purpose numerical library in the OCaml ecosystem.
However, we believe OCaml is a good candidate for developing such a general-purpose
numerical library for two important reasons:

• We can write functional code as concise as that in Python with

type-safety.

• OCaml code often has much superior performance compared to

dynamic languages such as Python and Julia.

2
Chapter 1 Introduction

1.2 Architecture
Designing and developing a full-fledged numerical library is a nontrivial task, despite
that OCaml has been widely used in system programming such as MirageOS. The key
difference between the two is fundamental and interesting: system libraries provide
a lean set of APIs to abstract complex and heterogeneous physical hardware, while
numerical libraries offer a fat set of functions over a small set of abstract number types.
When the Owl project started in 2016, we were immediately confronted by a series
of fundamental questions like: “what should be the basic data types”, “what should
be the core data structures”, “what modules should be designed”, etc. In the following
development and performance optimization, we also tackled many research and
engineering challenges on a wide range of different topics such as software engineering,
language design, system and network programming, etc. As a result, Owl is a rather
complex library, arguably one of the most complicated numerical software system
developed in OCaml. It contains about 269K lines of OCaml code, 142K lines of C code,
and more than 6500 functions. We have strived for a modular design to make sure that
the system is flexible and extendable.
We present the architecture of Owl briefly as in Figure 1-1. It contains two
subsystems. The subsystem on the left part is Owl’s numerical subsystem. The modules
contained in this subsystem fall into four categories:

• Core modules contain basic data structures, namely, the

n-dimensional array, including C-based and OCaml-based
implementation, and symbolic representation.

• Classic analytics contains basic mathematical and statistical

functions, linear algebra, signal processing, ordinary differential
equation, etc., and foreign function interface to other libraries (e.g.,
CBLAS and LAPACKE).

• Advanced analytics, such as algorithmic differentiation, optimization,

regression, neural network, natural language processing, etc.

• Service composition and deployment to multiple backends such as to

the browser, container, virtual machine, and other accelerators via a
computation graph.

3
Chapter 1 Introduction

Figure 1-1. The whole system can be divided into two subsystems. The subsystem
on the left deals with numerical computation, while the one on the right handles
the related tasks in a distributed and parallel computing context including
synchronization, scheduling, etc

In the rest of this chapter, we give a brief introduction about these various
components in Owl and set a road map for this book.

Basic Computing and Analytics with Owl

In a numerical library or software such as NumPy, MATLAB, TensorFlow, and Owl,
the N-dimensional array (ndarray) is the most fundamental data type for building
scientific computing applications. In most such applications, solely using scalar values
is insufficient. Both matrices and vectors are special cases of ndarray. Owl provides
the Ndarray module, the usability and performance of which are essential to the whole
architecture in Owl. In Chapter 2, we will introduce this module, including how it is
designed and its performance optimization.

4
Chapter 1 Introduction

Owl supports a wide variety of classic numerical analytics methods, including basic
mathematical functions, statistics, linear algebra, ordinary differential equation, and
signal processing. The functions in each field are included in a corresponding module.
Their design is similar to that of Ndarray module, which is mainly interfacing to existing
tools in C code, such as OpenBLAS. The Ndarray module partly relies on these functions,
especially the ones that operate on scalars. For example, Ndarray provides a sin function.
What it does is actually calling the scalar version sin function in the Maths module and
mapping them on all its elements. Since this book mainly focuses on the architectural
design of Owl, we will not introduce in detail how to apply Owl in these fields; instead,
we will briefly give some examples in Appendix A.

Advanced Design in Owl

We have introduced the various classic analytics fields that are supported in Owl. What
makes Owl more powerful are a series of advanced analytics. At the heart of them lies
algorithmic differentiation (AD), which will be introduced in Chapter 3. Performing
differentiation is so crucial to modern numerical applications that it is utilized almost
everywhere. Moreover, it is proven that AD provides both efficient and accurate
differentiation computations that are not affected by numerical errors.
One of the prominent analytics that benefit from the power of AD is optimization
(Chapter 4), which is about finding minima or maxima of a function. Though
optimization methods do not necessarily require computing differentiation, it is often a
key element in efficient optimization methods. One most commonly used optimization
method is gradient descent, which iteratively applies optimization on a complex object
function by small steps until it is minimized by some standard. It is exactly how another
type of advanced application, regression, works. Regression covers a variety of methods,
including linear regression, logistic regression, etc. Each can be applied to different
scenarios and can be solved by various methods, but they share a similar solution
method, namely, iterative optimization.
Depending on applications, the computation generated from AD can be quite
complex. They often form a directed acyclic graph, which can be referred to as
a computation graph. Based on the computation graph, we can perform various
optimizations to improve the execution speed, reduce memory usage, etc. A
computation graph plays a critical role in our system, and we introduce it in Chapter 6.

5
Chapter 1 Introduction

Finally, neural networks, as complex as their architectures can be, are in essence
also an extension of regression and therefore are also trained by iterative optimization.
We cover this topic in Chapter 5. With the popularity of machine learning and neural
networks, this series of advanced analytics, especially the core technique AD, has
become increasingly essential in modern numerical analysis library stacks. In this book,
we will briefly introduce these topics and their architecture in design in Owl.

Hardware and Deployment

In the next part, we discuss the execution backends Owl executes on in Chapter 7. The
first important backend we consider is hardware accelerators such as GPUs. Scientific
computing often involves intensive computations, and a GPU is important to accelerate
these computations by performing parallel computation on its massive cores. Besides,
there are growingly more types of hardware accelerators. For example, Google develops
the Tensor Processing Unit (TPU), specifically for neural network machine learning. It
is highly optimized for large batches in using TensorFlow. To improve performance of a
numerical library such as Owl, it is necessary to support multiple hardware platforms.
One idea is to “freeride” existing libraries that already support various hardware
platforms. We believe that a computation graph is a suitable intermediate representation
(IR) to achieve interoperability between different libraries. Along this line, we develop a
prototype symbolic layer system by using which the users can define a computation in
Owl and then turn it into an ONNX structure, which can be executed on many different
platforms such as TensorFlow. By using the symbolic layer, we show the system workflow
and how powerful features of Owl, such as algorithmic differentiation, can be used in
TensorFlow.
Besides aiming for maximal performance on accelerators, sometimes a numerical
library also targets to run in a wide range of environments, for example, to execute on
web browsers based on JavaScript for ease of access to many end users. Besides, with the
trending of edge computing and the Internet of Things, it is also crucial for numerical
libraries to support running on computation resource–limited devices. One approach is
to construct unikernel, a specialized minimal virtual machine image that only contains
necessary libraries and modules to support an application. In this book, we also
introduce Owl’s support for execution in this environment.

6
Chapter 1 Introduction

Research on Owl
In the last part of this book, we introduce two components in Owl: Zoo, for service
composition and deployment, and Actor, for distributed computing. The focus of these
two chapters is to present two pieces of research based on Owl.
In Chapter 9, we introduce the Zoo subsystem. It was originally developed to share
OCaml scripts. It is known that we can use OCaml as a scripting language as Python
(at certain performance cost because the code is compiled into bytecode). Even
though compiling into native code for production use is recommended, scripting is
still useful and convenient, especially for light deployment and fast prototyping. In
fact, the performance penalty in most Owl scripts is almost unnoticeable because the
heaviest numerical computation part is still offloaded to Owl which runs native code.
While designing Owl, our goal is always to make the whole ecosystem open, flexible,
and extensible. Programmers can make their own “small” scripts and share them with
others conveniently, so they do not have to wait for such functions to be implemented
in Owl’s master branch or submit something “heavy” to OPAM. Based on these
basic functionalities, we extend the Zoo system to address the computation service
composition and deployment issues.
Next, we discuss the topic of distributed computing. The design of distributed
and parallel computing module essentially differentiates Owl from other mainstream
numerical libraries. For most libraries, the capability of distributed and parallel
computing is often implemented as a third-party library, and the users have to deal with
low-level message passing interfaces. However, Owl achieves such capability through
its Actor subsystem. Distributed computing includes techniques that combine multiple
machines through a network, sharing data and coordinating progresses. With the fast-
growing number of data and processing power they require, distributed computing
has been playing a significant role in current smart applications in various fields. Its
application is extremely prevalent in various fields, such as providing large computing
power jointly, fault-tolerant databases, file system, web services, and managing large-
scale networks, etc.
In Chapter 10, we give a brief bird’s-eye view of this topic. Specifically, we introduce
an OCaml-based distributed computing engine, Actor. It has implemented three
mainstream programming paradigms: parameter server, map-reduce, and peer-to-peer.
Orthogonal to these paradigms, Actor also implements all four types of synchronization

7
Chapter 1 Introduction

barriers. We introduce four different types of synchronization methods or “barriers”

that are commonly used in current systems. We further elaborate how these barriers
are designed and provide illustrations from the theoretical perspective. Finally, we use
evaluations to show the performance trade-offs in using different barriers.

1.3 Summary
In this chapter, we introduced the theme of this book, which centers on the design of
Owl, a numerical library we have been developing. We briefly discussed why we build
Owl based on the OCaml language. And then we set a road map for the whole book,
which can be categorized into four parts: basic building block, advanced analytics,
execution in various environments, and research topics based on Owl. We hope you will
enjoy the journey ahead!

Open Access This chapter is licensed under the terms of the Creative
Commons Attribution 4.0 International License (http://creativecommons.
org/licenses/by/4.0/), which permits use, sharing, adaptation, distribution and
reproduction in any medium or format, as long as you give appropriate credit to the
original author(s) and the source, provide a link to the Creative Commons license and
indicate if changes were made.
The images or other third party material in this chapter are included in the chapter’s
Creative Commons license, unless indicated otherwise in a credit line to the material. If
material is not included in the chapter’s Creative Commons license and your intended
use is not permitted by statutory regulation or exceeds the permitted use, you will need
to obtain permission directly from the copyright holder.
8
CHAPTER 2

Core Optimizations
Perhaps one of the most important questions in a numerical library or software is, “how
to make it run faster?” You can never have a piece of scientific computation program that
runs too fast or takes too little memory. That is surely also the primary concern when we
are designing Owl. In this chapter, we discuss the optimization of the Ndarray module,
the core module that underlies almost all computation in Owl. We first introduce this
module and how it interfaces to C code. Next, we briefly introduce the basic principles in
optimizing numerical code, including some common techniques. Then we use the code
examples in Owl to demonstrate how these techniques are applied in Owl. We finish this
chapter with a bit of touch on the topic of automatic performance tuning in numerical
libraries.

2.1 N-Dimensional Array in Owl

Owl numerical functions are organized in multiple modules, such as linear algebra,
signal processing, statistics, optimization, etc. In real-world applications though, it is
quite rare for users to only deal with scalar values in data analytics. In linear algebra,
matrices are a common data object. In a neural network, the input images are often
represented by three-dimensional arrays, each element being in the range of [0, 255].
Indeed, a solid implementation of n-dimensional array, or ndarray, lies at the heart of
any industry-level numerical library, such as NumPy, Julia, MATLAB, etc.
The Ndarray module provides this core data structure in Owl. It relies on the
Bigarray module provided in OCaml. Compared to normal OCaml arrays, a Bigarray
is not limited in size, supports up to 16 dimensions, and supports more space-efficient
storage. Here shows the definition of an Ndarray type:

type ('a, 'b) t = ('a, 'b, c_layout) Genarray.t

9
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_2
Chapter 2 Core Optimizations

Here, the GADT type 'b is an element kind, such as single-precision (32 bits)
floating-point numbers, 8-bit integers, etc. Type 'a represents the type of OCaml values
that can be written into Bigarray or read back from it. The Bigarrays can contain various
types, and in Ndarray we mainly support four:

type ('a, 'b) kind =

  | Float32 : (float, float32_elt) kind
  | Float64 : (float, float64_elt) kind
  | Complex32 : (Complex.t, complex32_elt) kind
  | Complex64 : (Complex.t, complex64_elt) kind

Namely, Owl mainly supports single-precision float (S), double precision (D), single-
precision complex (C), and double-precision complex (Z). Supporting complex data
types is essential to applications such as signal processing using Fourier transform.
Besides the ('a, 'b) part, the definition also includes a c_layout parameter.
Bigarray supports two different memory layouts. In Owl, we stick with the C-style data
layout, which means that indices start at 0 and in row-major format. Initially, Owl aims
to support both layouts, but it soon turns out that would just open the jar of worm
without much benefit.
As an example, if we need to create an ndarray of shape 2x3, elements of which are
all 0s of type single-precision float, we can use

Dense.Ndarray.S.ones [|2;3|]

In this naming of modules, Dense indicates the data is densely stored instead of
using sparse structure. Owl also supports Sparse ndarray types, and its API is quite
similar to that of the dense type. It also contains the four different kinds of data types as
stated earlier. Indeed, if you call Dense.Ndarray.S.ones [|2;3|], you can get sparsely
stored zero ndarrays. There are two popular formats for storing sparse matrices, the
Compressed Sparse Column (CSC) format and the Compressed Sparse Row (CSR)
format. Owl uses the Compressed Sparse Row format. Compared to the dense ndarray,
the definition of sparse ndarray contains some extra information:

type ('a, 'b) t =

  { mutable s : int array
  ; mutable h : (int array, int) Hashtbl.t
  ; mutable d : ('a, 'b, c_layout) Array1.t
  }

10
Chapter 2 Core Optimizations

In this chapter, we focus on the optimization of dense ndarray structures and will not
further discuss details in the sparse ndarray.
The second part of the name is Ndarray, which is of course the topic of this chapter,
but it should be noted that we also support matrix data types. Implemented based on
Ndarray, the Matrix supports operations that work solely on matrices, such as row_num,
and can interoperate with ndarrays if the dimension is two. For example, we can perform

let x = Dense.Ndarray.S.ones [|2;3|];;

let a = Dense.Matrix.S.row_num x;;

Besides the core implementation of data structure, the importance of the Ndarray
module lies in the various operations it supports. They can be categorized into
multiple types:

• Creation functions that generate dense data structures, such as

empty, create, zeros, and ones. These functions return ndarrays of
the specified shape and content.

• Mathematical operations. Many of them can be categorized into

three generic operation patterns: map, fold, and scan. For example,
the map function transforms one ndarray to another by applying
the provided function to every element in the original ndarray, and
operations such as sin and log belong to this pattern.

• Slicing operation that extracts part of an ndarray or a matrix

according to certain slice definition, an index list that indicates which
indices should be accessed and in what order for each dimension
of the value being sliced. Indexing and slicing are perhaps the most
important ndarray functions in any numerical library.

• Other calculation or manipulation functions: comparison, tile or

repeat an ndarray, serialization, iterate over all the elements, etc.

It is always a good idea to push the performance of these operations forward,

especially the mathematical functions. Contrary to many people’s impression on
functional language, OCaml is actually quite fast.1 That being said, it is unreasonable to

1
OCaml documentation: Profiling. https://ocaml.org/docs/profiling

11
Chapter 2 Core Optimizations

claim that solely using OCaml can satisfy all the performance requirements of numerical
computing. More often than not, we still need to rely on the power of C or FORTRAN, as
in many other numerical computing libraries such as NumPy.
Therefore, in Owl we interface most ndarray operations to C implementation. In
the next several sections, we first explain how to interface OCaml code to C and then
introduce in detail the principles and techniques that are commonly applied to optimize
the performance of computations.

2.2 Interface OCaml to C
To ensure its performance, we implement the core computation in the Ndarray module
mostly in the C language and then interface them to OCaml. In this section, we briefly
introduce how it is done. The corresponding code is mostly included in the src/owl/
core/ directory in the source code. Let’s use the sine function in the Ndarray module as
an example. This OCaml function is a wrapper of another OCaml function _owl_sin:

let _owl_sin : type a b. (a, b) kind -> int ->

  (a, b) owl_arr -> (a, b) owl_arr -> unit =
  fun k l x y ->
    match k with
    | Float32   -> owl_float32_sin l x y
    | Float64   -> owl_float64_sin l x y
    | Complex32 -> owl_complex32_sin l x y
    | Complex64 -> owl_complex64_sin l x y

This function serves as an entrance to implementations of different sine functions.

As we have introduced, Owl provides four data types: float, double, complex float, and
complex double. This function takes a data type as input and applies the sine function
on l elements in input array x, and the output is stored in array y. One of the called
functions, for example, owl_float32_sin, is declared as an external function that
interfaces from outside the OCaml world, a C function called “float32_sin”.

external owl_float32_sin : int

-> (`a, `b) owl_arr
-> (`a, `b) owl_arr -> unit = "float32_sin"

12
Chapter 2 Core Optimizations

We do not implement the C function float32_sin directly, since we observe that the
implementations of four different types of sine functions are mostly the same. Therefore,
we utilize C macros. Here is the template (FUN4) that can be used to implement a series
of mathematical functions:

#ifdef FUN4

CAMLprim value FUN4(value vN, value vX, value vY)

{
  CAMLparam3(vN, vX, vY);
  int N = Long_val(vN);
  INIT;

struct caml_ba_array *X = Caml_ba_array_val(vX);

  NUMBER *X_data = (NUMBER *) X->data;
  struct caml_ba_array *Y = Caml_ba_array_val(vY);
  NUMBER *Y_data = (NUMBER *) Y->data;
  NUMBER *start_x, *stop_x;
  NUMBER *start_y;

caml_release_runtime_system(); /* Allow other threads */

  start_x = X_data;
  stop_x = start_x + N;
  start_y = Y_data;

while (start_x != stop_x) {

NUMBER x = *start_x;
*start_y = (MAPFN(x));

    start_x += 1;
    start_y += 1;
  };

caml_acquire_runtime_system(); /* Disallow other threads */

CAMLreturn(Val_unit);
}

#endif /* FUN4 */

13
Chapter 2 Core Optimizations

This C function should satisfy certain specifications. The returned value of float32_
sin must be of CAMLprim value type, and its parameters are of type value. Several
macros can be used to convert these value types into the native C types. These macros
are included in the <caml/mlvalues.h> header file. For example, we use Long_val to
cast a parameter into an integer value and Caml_ba_array_val from an OCaml Bigarray
type to an array of numbers. Finally, the computation itself is straightforward: apply the
function MAPFN on every element in the array x in a for-loop, and the output is saved in
array y. Since the returned value of the OCaml function _owl_sin is unit, this C function
also needs to return the macro Val_unit.
Notice that we haven’t specified several macros in this template yet: the number type
and the function to be applied on the array. For that, we use

#define FUN4 float32_sin

#define NUMBER float
#define MAPFN(X) (sinf(X))
#include OWL_NDARRAY_MATHS_MAP

Here, we specify a function of name float32_sin that uses the aforementioned

template, where its number type is float, and the function to be applied on each
element in the input array is sinf from standard C library <math.h>. We can easily
change the macros here to use other functions to get the sine function of other precisions
or other mathematical functions such as exp, log, etc.
To sum it up, when we call Dense.Ndarray.S.sin x in Owl, it ends up calling the
sinf function on all float numbers in x. In this design, we can choose implementation
in other libraries, such as the Intel Math Kernel Library (MKL), which can achieve
superior performance on Intel-based machines. Actually, that’s indeed what we do for
many other modules. Instead of handcrafting all the highly sophisticated linear algebra
functions, etc., we interface their implementation to libraries such as OpenBLAS (linear
algebra routines), SMTF (random number generator), FFTPack (fast Fourier transform),
Cephes (special mathematical functions), etc. But we try to reduce reliance on third-
party libraries to the minimum while avoiding reinventing wheels.
Except for the interface mechanism we have introduced, we can also utilize the
foreign function interface to invoke routines in a different programming language from
OCaml. This approach is nicely explained in Real World OCaml [38]. This book is
recommended for anyone who wants to dig deep in the OCaml world.

14
Chapter 2 Core Optimizations

Implementing the core code enables multiple optimization opportunities:

single-instruction-multiple-data (SIMD), parallel processing on multicore hardware [4],
loop unrolling, using tile to improve efficiency of cache [48], etc. Besides, we can also
build systems to automatically choose suitable parameters in the Owl system to fit the
hardware/software platform it runs on. We will talk about these topics in detail in the
rest of this chapter.

2.3 Core Optimization of Computation

Ever since the creation of computers, one question kept resurfacing from time to
time: “How to improve the performance of a piece of code?” Back in the early days
of computers, using computers was a privilege, and users had to utilize every second
of their limited computing time to the utmost. And nowadays, every PC gamer wants
high-quality visual effects. Not to mention those scientific researchers who would be
overjoyed if their simulation program running time can be cut by half.
In the good old days, the answer was simple. We can simply freeride Moore’s Law:
“the number of transistors in a dense integrated circuit doubles about every two years.”
A similar exponential increase shows in quite a lot of related areas. With more CPU clock
speed, any code can automatically run faster, not to mention the dramatic increase of
memory and storage capacity. All you need to do is to wait for a while.
However, the free lunch is over, and the clock speed has stagnated for years.2 Faced
with this situation, programmers need to achieve performance gains in fundamentally
different ways on modern hardware. It generally includes two aspects: utilizing parallel
computing mechanisms provided in processors and reducing accessing data from slow
storage media.
Figure 2-1 shows a much simplified and yet thorough architecture illustration of a
quad-core CPU.3 It shows some of the core components in a processor. The CPU follows
a “fetch-decode-execute” cycle to process instructions. It basically goes as described as
follows. When the program counter indicates the next instruction to be executed, the
Fetch/Decode fetches the instruction value from memory and decodes it into actions
the computer can understand. Next, the Arithmetic Logic Unit (ALU) is invoked to

2
Microprocessor chronology, Wikipedia, URL: https://en.wikipedia.org/wiki/
Microprocessor_chronology
3
This figure is inspired by the CMU 15-418/15-618 course Parallel Computer Architecture and
Programming, which is recommended to anyone who is serious about learning parallel computing.

15
Chapter 2 Core Optimizations

perform required computation operations. This process repeats until the program stops.
During this process, the Execution Context contains necessary state information, such
as computing results, program counter, registers, etc. Besides these parts, the CPU also
contains several levels of cache, which finally connect to memory. This model provides
a quite good approximation to real CPUs. In the rest of this section, we will explain these
different parts and how they benefit the performance of computation in detail.

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Figure 2-2. Processor parallelism: multiple fetch and decode modules

16
Chapter 2 Core Optimizations

CPU Support of Parallel Computing

Instruction-Level Parallelism
A program consists of a stream of instructions. In a basic processor model, it executes
one instruction in one clock cycle. But instructions do not strictly sequentially depend
on one another. Instead, some of them can be executed in parallel without interference.
Architecture that exploits such instruction-level parallelism (ILP) is called superscalar,
which can date back to the 1960s. It can execute more than one instruction per clock
cycle by dispatching multiple instructions at the same time. Therefore, the processor
contains multiple fetch/decode and ALU modules, as Figure 2-2 shows. The parallelism
among an instruction stream is automatically and dynamically discovered by the
hardware during execution and thus is not visible to programmers.

(a) Scalar operation (b) SIMD operation

Figure 2-3. Comparison of computing conventional and SIMD

Vectorization
The ALU also has the potential to provide more than one piece of data in one clock cycle.
The single instruction multiple data (SIMD) refers to a computing method that uses
one single instruction to process multiple data. It is in contrast with the conventional
computing method that processes one piece of data, such as load, add, etc., with one
construction. The comparison of these two methods is shown in Figure 2-3. In this
example, one instruction processes four float numbers at the same time.

17
Chapter 2 Core Optimizations

SIMD is now widely supported on various hardware architectures. Back in 1996,

Intel’s MMX instruction set was the first widely deployed SIMD, enabling processing four
16-bit numbers at the same time. It is then extended to more instruction sets, including
SSE, AVX, AVX2, etc. In AVX2, users can process 16 16-bit numbers per cycle. Similarly,
the ARM architecture provides NEON to facilitate SIMD. Next is a simple example that
utilizes Intel AVX2 instructions to add eight integers to another eight integers:

#include <immintrin.h>

int main(int argc, char* argv[]) {

    __m256i a = _mm256_set_epi32(1, 2, 3, 4, 5, 6, 7, 8);
    __m256i b = _mm256_set_epi32(10, 20, 30, 40, 50, 60, 70, 80);
    __m256i c = _mm256_add_epi32(a, b);

return 0;
}

To use AVX instructions, programmers need to use the Intel intrinsics, included in
header files such as immintrin .h. Here, _mm256_set_epi32 packed eight 32-bit integers
together into a group, and _mm256_add_epi32 adds packed 32-bit integers. If you look at
the assembly code in this simple program, part of it looks like

  ...
  vpunpcklqdq   %xmm3, %xmm0, %xmm0
  vpunpcklqdq   %xmm2, %xmm1, %xmm1
  vinserti128   $0x1, %xmm1, %ymm0, %ymm0
  vmovdqa   %ymm0, 8(%rsp)
  vmovdqa   -24(%rsp), %ymm0
  vmovdqa   %ymm0, 72(%rsp)
  vmovdqa   8(%rsp), %ymm0
  vmovdqa   %ymm0, 104(%rsp)
  vmovdqa   72(%rsp), %ymm1
  vmovdqa   104(%rsp), %ymm0
  vpaddd    %ymm0, %ymm1, %ymm0
  ...

18
Chapter 2 Core Optimizations

7LPH

7KUHDG
)HWFK'HFRGH
7KUHDG

6WDOO
6WDOO 7KUHDG

7KUHDG

6WDOO

Figure 2-4. Switching context based on hardware threads to hide latency

It can be seen that instead of normal instructions such as add, AVX2 uses vpaddd to
add two packed doubleword integers and also utilizes special registers such as ymm0, etc.
In general, using SIMD can significantly improve the performance of computations.

C
ontext Switching
As we have explained, the execution context in a processor contains necessary state
information when executing instructions. But that does not mean one processor can
only have one execution context. For example, the Intel Core i9-9900K contains two
execution contexts, or “hardware threads.” That provides the possibility of concurrent
processing. Specifically, a core can apply context switching to store execution state in one
context while running instructions on the other if possible.
Note that unlike previous methods we have introduced, context switching does
not enable parallel processing at exactly the same cycle; a core still has one ALU unit to
process instructions. Instead, at each clock a core can choose to run an instruction on an
available context. This is especially useful to deal with instruction streams that contain
high-latency operations such as memory read or write. As shown in Figure 2-4, while
one instruction is executing, perhaps waiting for a long while to read some data from
memory, the core can switch to the other contexts and run another set of instructions. In
this way, the execution latency is hidden and increases overall throughput.

19
Chapter 2 Core Optimizations

M
ulticore Processor
What we have introduced so far focuses on one single core. But another idea about
improving computation performance is more straightforward to a wider audience:
multicore processor. It means integrating multiple processing units, or cores, on one
single processor and enables the possibility of parallel processing at the same time. The
processor development trend is to add more and more cores in a processor. For example,
Apple M1 contains eight cores, with four high-performance cores and four high-
efficiency cores. Intel Core i9-12900HX processor contains 16 cores.
Similar to previous mechanisms, just because a processor provides the possibility
of parallel processing does not mean a piece of code can magically perform better by
itself. The challenge is how to utilize the power of multiple cores properly from the OS
and applications’ perspective. There are various approaches for programmers to take
advantage of the capabilities provided by multicore processors. For example, on Unix
systems the IEEE POSIX 1003.1c standard specifies a standard programming interface,
and its implementations on various hardware are called POSIX threads, or Pthreads.
It manages threads, such as their creation and joining, and provides synchronization
primitives such as mutex, condition variable, lock, barrier, etc. The OCaml language is also
adding native support for multicore, including parallelism via the shared memory parallel
approach and concurrency. It will be officially supported in the OCaml 5.0 release.

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Figure 2-5. Memory hierarchy

20
Chapter 2 Core Optimizations

Memory
Besides the processor architecture, another core component, memory, also plays a
pivotal role in the performance of programs. In the rest of this section, we introduce
several general principles to better utilize memory properties. For more detailed
knowledge about this topic, we highly recommend the article by U. Drepper [18].
Ideally, a processing unit only needs to access one whole memory, as the Von
Neumann architecture indicates. However, such a universal memory would struggle
to meet various real-world requirements: permanent storage, fast access speed, cheap,
etc. Modern memory design thus has adopted the “memory hierarchy” approach
which divides memory into several layers, each layer being a different type of memory,
as shown in Figure 2-5. Broadly speaking, it consists of two categories: (1) internal
memory that is directly accessible by the processor, including CPU registers, cache, and
main memory; (2) external memory that is accessible to the processor through the I/O
module, including flash disk, traditional disk, etc. As the layer goes down, the storage
capacity increases, but the access speed and cost also decrease significantly.
The register is the closest to a computer’s processor. For example, an Intel Xeon Phi
processor contains 16 general-purpose registers and 32 floating-point registers, each
of 64-bit size. It also contains 32 registers for AVX instructions; the size of each is 256 or
512 bits. The access speed to registers is the fastest in the memory hierarchy, only taking
one processor cycle. The next level is caches of various levels. In Figure 2-1, we have
seen how a processor core connects directly to the various levels of caches. On an Intel
Core i9-9900K, the cache size is 64KB (L1, each core), 256KB (L2, each core), and 16MB
(shared), respectively. Its access speed is about ten cycles, with L1 being the fastest.

Cache
Due to the fast access time of cache compared to memory, utilizing cache is key to
improving performance of computing. Imagine that if only all a program’s data accesses
are directly from cache, its performance will reach orders of magnitude faster. Short
of reaching that ideal scenario, one principle is to utilize cache as much as possible.
Specifically, we need to exploit the locality of data access in programs, which means that
a program tends to reuse data that is “close” to what it has already used. The meaning
of “close” is twofold: first, recently used data is quite likely to be used again in the near
future, called temporal locality; second, data with nearby addresses are also likely to be
used recently. Later, we will discuss techniques based on these principles.

21
Chapter 2 Core Optimizations

As a sidenote, due to the importance of caches, it is necessary to know the cache size
on your computer. You can surely go through its manual or specification documentation
or use commands such as lscpu. In the Owl codebase, we have employed the same
approach as used in Eigen,4 which is to use the cpuid instruction provided on x86
architectures. It can be used to retrieve CPU information such as the processor type
and if features such as AVX are included. Overall, the routine query_cache_size first
checks whether the current CPU vendor is x86 or x64 architecture. If not, it means cpuid
might not be supported, and it only returns a conservative guess. Otherwise, it retrieves
information depending on if the vendor is AMD or Intel. Here, the macros OWL_ARCH_
x86_64 and OWL_ARCH_i386 are implemented by checking if predefined system macros
such as __x86_64__, _M_X64, __amd64, __i386, etc. are defined in the compiler. The
CPUID macro is implemented using assembly code utilizing the cpuid instruction.

void query_cache_sizes(int* 11p, int* 12p, int* 13p) {

  if (OWL_ARCH_i386 || OWL_ARCH_x86_64) {
    int cpuinfo[4];
    CPUID(cpuinfo, 0x0, 0);

    if (cpu_is_amd(cpuinfo)) {
      query_cache_sizes_amd(11p, 12p, 13p);
      return;
    }
    int highest_func = cpuinfo[1];
    if (highest_func >= 4)
      query_cache_sizes_intel(11p, 12p, 13p);
    else {
      *11p = 32 * 1024;
      *12p = 256 * 1024;
      *13p = 2048 * 1024;
    }
  } else {
    *11p = 16 * 1024;
    *12p = 512 * 1024;
    *13p = 512 * 1024;

4
Eigen: A C++ template library for linear algebra. The Eigen project.
https://eigen.tuxfamily.org/

22
Chapter 2 Core Optimizations

}
}

OWL_INLINE void query_cache_sizes_intel(int* 11p, int* 12p, int* 13p) {

  int cpuinfo[4];
  int 11 = 0, 12 = 0, 13 = 0;
  int cache_id = 0;
  int cache_type = 0;
  do {
    cpuinfo[0] = cpuinfo[1] = cpuinfo[2] = cpuinfo[3] = 0;
    CPUID(cpuinfo, 0x4, cache_id);
    cache_type = (cpuinfo[0] & 0x0F) >> 0;

    if(cache_type == 1 || cache_type == 3) {
      int cache_level = (cpuinfo[0] & 0xE0) >> 5;
      int ways        = (cpuinfo[1] & 0xFFC00000) >> 22;
      int partitions  = (cpuinfo[1] & 0x003FF000) >> 12;
      int line_size   = (cpuinfo[1] & 0x00000FFF) >>  0;
      int sets        = (cpuinfo[2]);

int cache_size = (ways + 1) * (partitions + 1)

        * (line_size + 1) * (sets + 1);
      switch(cache_level) {
        case 1: 11 = cache_size; break;
        case 2: 12 = cache_size; break;
        case 3: 13 = cache_size; break;
        default: break;
      }
    }
    cache_id++;
  } while(cache_type > 0 && cache_id < 16);

if (11 == 0) 11 = 32 * 1024;

if (12 == 0) 12 = 256 * 1024;
if (13 == 0) 13 = 2048 * 1024;

11p = 11; 12p = 12; *13p = 13;

return;
}
23
Chapter 2 Core Optimizations

Prefetching
To mitigate the long loading time of memory, prefetching is another popular approach.
As the name suggests, the processor fetches data into cache before it is demanded,
so that when it is actually used, the data can be accessed directly from the cache.
Prefetching can be triggered in two ways: via certain hardware events or explicit request
from the software.
Naturally, prefetching faces challenges from two aspects. The first is to know what
content should be prefetched from memory. A cache is so precious that we don’t want
to preload useless content, which leads to a waste of time and resources. Secondly, it is
equally important to know when to fetch. For example, fetching content too early risks
getting it removed from the cache before even being used.
For hardware prefetching, the processor monitors memory accesses and makes
predictions about what to fetch based on certain patterns, such as a series of cache
misses. The predicted memory addresses are placed in a queue, and the prefetch would
look just like a normal READ request to the memory. Modern processors often have
different prefetching strategies. One common strategy is to fetch the next N lines of data.
Similarly, it can follow a stride pattern: if currently the program uses data at address x,
then prefetch that at x+k, x+2k, x+3k, etc.
Compared with the hardware approach, software prefetching allows control from
programmers. For example, a GCC intrinsics is for this purpose:

void __builtin_prefetch (const void *addr, ...)

It contains three arguments. The first is the data address to be prefetched; the second
is a compile-time integer that indicates if the prefetch is preparing for a read from or
write to memory; and the final one indicates the temporal locality of fetched data to
decide if it should be evicted from cache once accessed.
The programmer can insert __builtin_prefetch into code if the corresponding
data is anticipated to be accessed soon. This intrinsic will be compiled into data prefetch
instructions via the compiler. If the prefetch is executed at a proper moment before the
access, ideally the required data will be already in the cache by the time it is used. The
following code is a simple example to demonstrate how it works in a C code:

24
Chapter 2 Core Optimizations

for (i=0; i < n; ++i)

  for (j=0; j < m; ++j) {
    __builtin_prefetch(&x[i+1][j]);
    c += x[i][j]
  }

There are also other approaches for software control on prefetching, such as the _mm_
prefetch (char const* p, int i) intrinsics from the SSE instruction set on Intel. It
prefetches a line of data from memory that contains address p to a location in the cache
hierarchy; argument i indicates the level of locality of cached data.
However, it is still tricky to do it right; sometimes, improper prefetching can even
make the execution slower. For one thing, it is normally difficult for us to know exactly
how far ahead the data should be fetched, especially in applications that access memory
irregularly. Frequent early prefetch actually reduces cache hit accuracy. Besides, the
locality pattern of different chunks of data is also complex to manage for programmers.
That’s why this approach should be used with caution.

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Figure 2-6. Changing from uniform memory access to non-uniform

memory access

N
UMA
Finally, we briefly talk about non-uniform memory access (NUMA), since it
demonstrates the hardware aspect of improving memory access efficiency. We
have mentioned the multicore design of processors. While improving parallelism in
processors, it has also brought challenges to memory performance. When an application
is processed on multiple cores, only one of them can access the computer’s memory at
a time, since they access a single entity of memory uniformly. In a memory-intensive
application, this leads to a contention for the shared memory and a bottleneck. One
approach to mitigate this problem is the non-uniform memory access (NUMA) design.
25
Chapter 2 Core Optimizations

Compared with the uniform access model we have introduced, NUMA separates
memory for each processor, and thus each processor can access its own share of
memory at a fairly low cost, as shown in Figure 2-6. However, the performance of NUMA
depends on the task being executed. If one processor needs to frequently access memory
of the other processors, that would lead to undesirable performance.

2.4 Optimization Techniques
The topic of computation optimization is a classic topic in computer science, and there
is still a lot of work about it in both academia and industry. Explaining even only a part of
them in detail requires a whole book. Instead, in this section we give some optimization
technique examples to demonstrate how the principles in the previous sections are
implemented.

Hardware Parallelization
Utilizing multicore is a straightforward way to improve computation performance,
especially complex computation on arrays with a huge amount of elements. Except
for the Pthread we have introduced, Open Multi-Processing (OpenMP) is another tool
that is widely used. OpenMP is a library that provides APIs to support shared memory
multiprocessing programming in C/FORTRAN languages on many platforms. An
OpenMP program uses multiple threads in its parallel section, and it also sets up the
environment in the sequential execution section at the beginning. The parallel section is
marked by the OpenMP directive omp pragma. Each thread executes the parallel section
and then joins together after finishing. Here is an example:

#include <omp.h>

int main(int argc, char **argv) {

int x[200000];

#pragma omp parallel for

    for (int i = 0; i < 100000; i++) {
        x[i] = sinf(i);
    }
    return 0;
}
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Chapter 2 Core Optimizations

Here, in a big array of 200000 elements, for each element we compute the sin
function on its index number. To apply multicore computing, we simply add one line of
derivative on the for-loop. Without specifying the number of threads, it divides the whole
workload, the array, onto all available cores.
In Owl, we have also applied OpenMP to improve computation performance. For
example, we have introduced the template to map a single function on all elements in an
array. We can now change part of the template as follows. Here, caml_release_runtime_
system releases the master lock in a calling thread, enabling other threads to run code in
parallel with the execution of the current thread:

  ...
  caml_release_runtime_system();
  start_x = X_data;
  stop_x = start_x + N;
  start_y = Y_data;

#pragma omp parallel for schedule(static)

  for (int i = 0; i < N; i++) {
    NUMBER x = *(start_x + i);
    *(start_y + i) = (MAPFN(x));
  }
  caml_acquire_runtime_system();
  ...

We can also benefit from SIMD. For example, instead of interfacing to standard C
math library functions, we can implement our own SIMD version of math functions. It
is unfortunately not as simple as adding one line of derivative, since the SIMD intrinsics
do not include complex computations. Even for one sine function, for example, we need
to carefully implement the Taylor expansion–based algorithm using various existing
intrinsics. Not to mention that we need to always think about different versions of SIMD:
SSE, AVX2, AVX512, etc., or different hardware vendors. In summary, the performance
boost using SIMD requires a significant amount of engineering work.

Cache Optimization
There are numerous cache optimization techniques, but most of them share the same
theme: improve data locality (both spatial and temporal) and align the code and data.

27
Chapter 2 Core Optimizations

If you put something into cache, you’d better make it count: reusing cached data
as much as possible. Next, we will use matrix multiplication as an example. Matrix
multiplication is one of the center pieces in scientific computing. Its basic algorithm
is simple:

for (i = 0; i < N; ++i)

  for (j = 0; j < N; ++j)
    for (k = 0; k < N; ++k)
      r[i][j] += mul1[i][k] * mul2[k][j];

The way the data is read is from left to right: (0, 0), (0,1), … (0, n), (1, 0), (1, 1), …
(1, n), …. While the element (0, 0) is loaded, the next several elements are also saved in
the cache so that (0, 1), (0, 2), etc. are all loaded from cache instead of memory. However,
the elements in mul2 are not accessed this way. After (0, 1), the elements (1, 0), (2, 0), …
are required. That means the cached elements are all wasted. One approach to deal with
this problem is to transpose mul2 before multiplication:

double tmp[N][N];

for (i = 0; i < N; ++i)

for (j = 0; j < N; ++j)
tmp[i][j] = mul2[j][i];

for (i = 0; i < N; ++i)

  for (j = 0; j < N; ++j)
    for (k = 0; k < N; ++k)
      r[i][j] += mul1[i][k] * tmp[j][k];

Another approach even utilizes L1 cache better. First, it “cuts” a large matrix into
multiple smaller square ones. Each line of such a square matrix can be fit into an L1
cache. These multiple smaller matrix multiplications are iterated in an outer loop.
This technique is sometimes called tiling. The algorithm can be demonstrated using
Figure 2-7. In a smaller matrix multiplication ab = c, a row of a is stored in L1 cache (Step
➀). The column number moves in matrix b to compute the corresponding output in c
(Step ➁). Only after this step the cached line will be evicted and a new row in a will be
retrieved into the cache (Step ➂). The previous rows in a will not be used again. The
algorithm is implemented as follows. Here, E is the number of elements in a row of the
small matrix:

28
Chapter 2 Core Optimizations

for (i = 0; i < N; i += E)
  for (j = 0; j < N; j += E)
    for (k = 0; k < N; k += E)
      for (ii = 0, rr = &r[i][j],
           am = &mul1[i][k]; ii < E;
           ++ii, rr += N, am += N)
        for (kk = 0, bm = &mul2[k][j];
             kk < E; ++kk, bm += N)
          for (jj = 0; jj < E; ++jj)
            rr[jj] += am[kk] * bm[jj];

D F
;
E &
$ %

䐠
䐟 /FDFKHVL]H
䐡䐡
䐟
䐠

D E F

Figure 2-7. Illustration of a matrix multiplication algorithm that utilizes L1 cache

Another technique that utilizes cache is loop merging. We can merge consecutive
loops that sweep through data into one loop to reuse data in the cache, reducing
memory access. The following code shows a simple example:

for (i = 0; i < N; i++) {

x[i] = buf[i]
}

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Chapter 2 Core Optimizations

for (i = 0; i < N; i++) {

y[i] = i * x[i] + bias
}

Obviously, these two loops can be fused into one single loop:

for (i = 0; i < N; i++) {

x[i] = buf[i]
y[i] = i * x[i] + bias
}

By fusing two loops into one, the access order of the x elements changed, increasing
temporal locality. It can further be accelerated using techniques such as parallel
computing techniques we have mentioned. For some of the cases that loop merging
cannot be directly applied, the loop alignment technique may help. For example, the two
for-loops

for (i=0; i<n; i++) {

x[i] = y[i] + a
}

for (i=0; i<n; i++) {

z[i] = x[i+1] + b
}

can be fused after aligning the x and z arrays:

x[0] = y[0] + a

for (i=1; i<n; i++) {

x[i] = y[i] + a
z[i-1] = x[i] + b
}

z[n-1] = x[n] + b

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Chapter 2 Core Optimizations

Other Techniques
Besides processor parallelism and cache utilization, there are still many techniques to
improve code performance. We will only briefly introduce some of them in this part.
Compilers surely have a great impact on the code performance. For example,
compilers such as LLVM or GCC can be configured with plenty of options and flags.
Choosing the most suitable options can actually be a challenging task. Besides,
programmers can add inline assembly code to C to further increase the execution speed.
Another optimization technique, unrolling, is also partly about understanding how
compilers work. For example, we can unroll the for-loop into eight parts:

for(i=0;i<n;i++) {
    a[i] = b[i] + 1
}
for(i=0; i<n; i+=8) {
    a[i] = b[i] + 1
    a[i] = b[i+1] + 1
    a[i] = b[i+2] + 1
    a[i] = b[i+3] + 1
    a[i] = b[i+4] + 1
    a[i] = b[i+5] + 1
    a[i] = b[i+6] + 1
    a[i] = b[i+7] + 1
}

It allows the compiler to decrease the number of conditional branches, thus reducing
potential branch mispredictions and condition evaluations.
Despite what we have explained, note that cache is not always helping. Sometimes,
the data is put into cache, but won’t be used again in a short while. That means the cache
is just wasting time on writing without being read. In that case, it is necessary to bypass
the caching phase. Processors support nontemporal write directly to memory. SIMD also
provides intrinsics to do that, such as the following intrinsics.

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Chapter 2 Core Optimizations

Figure 2-8. Convolution algorithm illustration

#include <ammintrin.h>
void _mm_stream_sd(double *p, __m128d a);
void _mm_stream_ss(float *p, __m128 a);

2.5 Example: Convolution
Convolution is a family of mathematical operations that is arguably the most important
operation in deep neural networks. It makes up the backbone of a majority of deep
neural network architectures and takes up a large part of computation resources
involved in their training and inference. According to the shape of input, convolution
operations can be categorized into one dimensional, two dimensional, and three
dimensional. It can also be categorized according to usage in the forward or backward
propagation phase as normal convolution, backward convolution on kernel, and
backward convolution on input. There are special operations such as transpose
convolution, dilated convolution, etc. But their implementation principles are quite
similar. There is a lot of work on optimizing convolution operations due to their
importance [55]. It takes significant engineering effort to implement only part of
them. In this section, we use the two-dimensional convolution operation Conv2D as an
example to demonstrate how we apply various optimization techniques on convolution
operations in Owl.
A convolution operation takes two ndarrays as input: image (I) and kernel (F). In a
two-dimensional convolution, both ndarrays are of four dimensions. The image ndarray
has B batches; each image has size H × W and has IC channels. The kernel ndarray has R
rows, C columns, the same input channel IC, and output channel K. The convolution can
then be expressed as in Eq. 2.1.

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Chapter 2 Core Optimizations

IC R C
CONVb ,h ,w ,k = ∑∑∑I b ,h + r ,w + c ,ic Fr ,c ,ic ,k . (2.1)
ic =1 r =1 c =1

The convolution operation is first implemented in Owl by interfacing to the Eigen

library, which is also used in TensorFlow for convolution implementation on the
CPU. However, interfacing to this C++ library proves to be problematic and leads to a
lot of installation issues. That is why we turn to handcrafting convolution operations.
They consist of three types: Conv, ConvBackwardKernel, and ConvBackwardInput.
The Conv operation calculates the output given the input image and kernel. Similarly,
ConvBackwardKernel calculates the kernel given the input and output ndarrays, and
ConvBackwardInput gets input ndarray from the kernel and output. The last two are
mainly used in the backpropagation phase in training a DNN, but all three operations
share a similar calculation algorithm.
A naive convolution algorithm is to implement Eq. 2.1 with nested for-loops. It is
easy to see that this approach does not benefit from any parallelization and thus is not
suitable for production code.
The next version of implementation uses the im2col algorithm. This algorithm is
illustrated in Figure 2-8. In this example, we start with an input image of shape 4x4 and
three output channels. Each channel is denoted by a different color. Besides, the index of
each element is also shown in the figure. The kernel is of shape 2x2 and has three input
channels as the input image. Each channel has the same color as the corresponding
channel of the input image. The two output channels are differentiated by various levels
of transparency in the figure. According to the definition of convolution operation, we use
the kernel to slide over the input image step by step, and at each position, an element-
wise multiplication is applied. Here, in this example, we use a stride of 1 and a valid
padding. In the first step, the kernel starts with the position where the element indices are
[1,2,5,6] in the first input channel, [17,18,21,22] in the second input channel, and
[33,34,37,38] in the third input channel. The element-wise multiplication result is filled
into the corresponding position in the output ndarray. Moving on to the second position,
the input indices become [2,3,6,7,18,19,22,23,34,35,38,39], so on and so forth. It
turns out that this process can be simplified as one matrix multiplication. The first matrix
is just the flattened kernel. The second matrix is based on the input ndarray. Each column
is a flattened subblock of the same size as one channel of the kernel. This approach is the
basic idea of the im2col algorithm. Since the matrix multiplication is a highly optimized
operation in linear algebra packages such as OpenBLAS, this algorithm can be executed
efficiently. Here, we show its implementation code:
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Chapter 2 Core Optimizations

CAMLprim value FUN_NATIVE (spatial) (

    value vInput_ptr, value vKernel_ptr, value vOutput_ptr,
    value vBatches, value vInput_cols, value vInput_rows, value vIn_channel,
    value vKernel_cols, value vKernel_rows,
    value vOutput_cols, value vOutput_rows, value vOut_channel,
    value vRow_stride,  value vCol_stride,
    value vPadding, value vRow_in_stride, value vCol_in_stride
  ) {
    struct caml_ba_array *IN = Caml_ba_array_val(vInput_ptr);
    struct caml_ba_array *KE = Caml_ba_array_val(vKernel_ptr);
    struct caml_ba_array *OU = Caml_ba_array_val(vOutput_ptr);
    TYPE *input_ptr  = (TYPE *) IN->data;
    TYPE *kernel_ptr = (TYPE *) KE->data;
    TYPE *output_ptr = (TYPE *) OU->data;

int batches = Long_val(vBatches);

    int input_cols    = Long_val(vInput_cols);
    int input_rows    = Long_val(vInput_rows);
    int in_channel    = Long_val(vIn_channel);
    int kernel_cols   = Long_val(vKernel_cols);
    int kernel_rows   = Long_val(vKernel_rows);
    int output_cols   = Long_val(vOutput_cols);
    int output_rows   = Long_val(vOutput_rows);
    int out_channel   = Long_val(vOut_channel);
    int row_stride    = Long_val(vRow_stride);
    int col_stride    = Long_val(vCol_stride);
    int padding       = Long_val(vPadding);
    int row_in_stride = Long_val(vRow_in_stride);
    int col_in_stride = Long_val(vCol_in_stride);

const int input_cri = in_channel * input_rows * input_cols;

    const int input_ri   = in_channel  * input_rows;
    const int output_cri = out_channel * output_rows * output_cols;
    const int output_cr  = output_rows * output_cols;
    const int output_crb = output_rows * output_cols * batches;
    const int kernel_cri = kernel_cols * kernel_rows * in_channel;

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Chapter 2 Core Optimizations

const int kernel_cr = kernel_cols * kernel_rows;

const int kernel_ri = kernel_rows * in_channel;

memset(output_ptr, 0, batches * output_cri * sizeof(TYPE));

INIT;

    int pr = 0, pc = 0;
    if (padding != 1) {
      pr = (row_stride * ( output_rows - 1) + kernel_rows - input_rows) / 2;
      pc = (col_stride * ( output_cols - 1) + kernel_cols - input_cols) / 2;
      if (pr < 0) pr = 0;
      if (pc < 0) pc = 0;
    }

TYPE inpt2d = (TYPE ) calloc(mat_size, sizeof(TYPE));

if (inpt2d == NULL) exit(1);

...

The code starts by locating the starting pointers of inputs (input and kernel) and
the various metadata about inputs: input channel, row/column numbers, output
channel, stride, padding size, etc. Besides, it also assigns memory space for outputs
and intermediate buffers. The code next implements what we have introduced. Using
three for-loops, we fill in the intermediate input buffer inpt2d, which is one matrix, and
multiply it with the kernel matrix using the GEMM routine provided by OpenBLAS.

...

for (int i = 0; i < output_crb; ++i) {

      int bt = i / output_cr;
      int cr = i % output_cr;
      int c = cr / output_rows;
      int r = cr % output_rows;

const int cstart = c * col_stride - pc;

      const int rstart = r * row_stride - pr;
      const int cend = cstart + kernel_cols;
      const int rend = rstart + kernel_rows;
      const int input_idx_base = bt * input_cri;

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Chapter 2 Core Optimizations

      int cnt = 0;
      for (int a = cstart; a < cend; ++a) {
        for (int b = rstart; b < rend; ++b) {
          for (int h = 0; h < in_channel; ++h) {
            if (a < input_cols && a >= 0 &&
                b < input_rows && b >= 0) {
              int input_idx =
                 input_idx_base + a * input_ri + b * in_channel + h;
              inpt2d[i * kernel_cri + cnt] = input_ptr[input_idx];
            }
            ++cnt;
          }
        }
      }
    }

GEMM(CblasRowMajor, CblasNoTrans, CblasNoTrans,

      output_crb, out_channel, kernel_cri, ALPHA,
      inpt2d, kernel_cri, kernel_ptr, out_channel,
      BETA, output_ptr, out_channel);

free(inpt2d);

return Val_unit;

}

However, this algorithm requires generating a large temporary intermediate

matrix. Depending on the input image size, this matrix can take gigabytes of memory
in applications such as FST. If you look closely at the intermediate matrix, you will find
that it contains a lot of redundant information. Algorithms such as memory-efficient
convolution [11] aim to reduce the size of this intermediate matrix, but still fail with large
input or kernel sizes.
To reduce the memory usage, we apply the method proposed in [25], which is to
cut matrices into small blocks so as to fit into the L1/L2 cache of the CPU to do high-
performance computation while reducing the memory usage, regardless of the input
size. The multiplication of two matrices can be divided into a multiplication of small
blocks. It still generally follows the previous matrix multiplication approach, but instead

36
Chapter 2 Core Optimizations

of generating the whole intermediate matrix, it cuts the input and kernel matrices into
small blocks one at a time so that the memory usage is limited no matter how large the
input and kernel are. Next, we show the code:

int mat_size = kernel_cri * output_crb;

  if (mat_size / kernel_cri == output_crb && mat_size < IM2COL_THRESHOLD) {
    // if generated input matrix is small enough, use im2col implementation
  }

  int mc = output_crb;
  int kc = kernel_cri;
  int nc = out_channel;
  compute_block_sizes(&kc, &nc, &mc, sizeof(TYPE));

Suitable implementations can be chosen depending on the input size. Here, we use
the intermediate matrix size to decide if we need the memory-efficient implementation
or not. If it is sufficiently small, we use the previous im2col implementation. It is still
straightforward and fast with small input sizes. Otherwise, we compute the suitable
small block sizes as in [25].

#if defined(AVX_PSIZE) && defined(_WIN32)

  int fast_flag = (in_channel % AVX_PSIZE == 0);
  TYPE *temp_mk = _aligned_malloc(mc * kc * sizeof(TYPE), ALIGN_SIZE);
  if (temp_mk == NULL) exit(1);
#elif defined(AVX_PSIZE)
  int fast_flag = (in_channel % AVX_PSIZE == 0);
  TYPE *temp_mk = NULL;
  if (posix_memalign((void**) &temp_mk, ALIGN_SIZE, mc * kc *
sizeof(TYPE)))
    exit(1);
#else
  TYPE *temp_mk = (TYPE *) calloc(mc * kc, sizeof(TYPE));
  if (temp_mk == NULL) exit(1);
#endif
TYPE *temp_kn = (TYPE *) calloc(nc * kc, sizeof(TYPE));
if (temp_kn == NULL) exit(1);
TYPE *temp_mn = (TYPE *) calloc(mc * nc, sizeof(TYPE));
if (temp_mn == NULL) exit(1);
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Chapter 2 Core Optimizations

To further improve the performance, we use the SIMD intrinsics in filling the
temporary matrix from input ndarray. For one thing, depending on whether the input
channel is divisible by the supported data length AVX_PSIZE of SIMD (e.g., 8 float
numbers for AVX), we provide two sets of implementations for filling the temporary
blocks. We then assign space for the small blocks that can be fit into cache accordingly.

  ...
  for (int m = 0; m < output_crb; m += mc) {
    int actual_mc = fminf(m + mc, output_crb) - m;
    for (int k = 0; k < kernel_cri; k += kc) {
      memset(temp_mk, 0, mc * kc * sizeof(TYPE));
      int actual_kc = fminf(k + kc, kernel_cri) - k;
      #ifdef AVX_PSIZE
      int kc_strip = (actual_kc / AVX_PSIZE) * AVX_PSIZE;
      #endif

// iterate along each row of the generated input matrix.

...

int idx_kn_base = k * out_channel;

      for (int n = 0; n < out_channel; n += nc) {
        int actual_nc = fminf(n + nc, out_channel) - n;
        idx_kn_base += n;

// fill in the kernel matrix

        int cnk = 0;
        for (int ik = 0; ik < actual_kc; ik++) {
          for (int jn = 0; jn < actual_nc; jn++) {
            int index_kn = idx_kn_base + ik * out_channel + jn;
            temp_kn[cnk++] = kernel_ptr[index_kn];
          }
        }

GEMM(CblasRowMajor, CblasNoTrans, CblasNoTrans,

          actual_mc, actual_nc, actual_kc, ALPHA,
          temp_mk, actual_kc, temp_kn, actual_nc,
          BETA, temp_mn, actual_nc);

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Chapter 2 Core Optimizations

        int cmn = 0;
        for (int ix = 0; ix < actual_mc; ix++) {
          for (int iy = 0; iy < actual_nc; iy++) {
            int index_mn = (ix + m) * out_channel + (iy + n);
            output_ptr[index_mn] += temp_mn[cmn++];
          }
        }
      }
    }
  }
  free(temp_mk);
  free(temp_kn);
  free(temp_mn);

return Val_unit;
}

The code next follows a similar pattern as the previous method, filling in the input
and kernel matrices and multiplying them to get the output, only that both need more
detailed control to get smaller matrices to fit into cache. Specifically, here is the code to
get the input matrix:

  int cmk = 0;
  for (int im = 0; im < actual_mc; im += 1) {
    int b  = (m + im) / output_cr;
    int cr = (m + im) - b * output_cr;
    int c = cr / output_rows;
    int r = cr - c * output_rows;

const int cstart = c * col_stride - pc;

const int rstart = r * row_stride - pr;
const int idx_base = b * input_cri;

// fill in the sub input matrix

#ifdef AVX_PSIZE
    if (fast_flag) {
      ACX_FUN_LOAD (load_sub_matrix_fast, spatial) (
        input_ptr, temp_mk, &cmk, kc_strip, k, kernel_ri, input_ri,

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Chapter 2 Core Optimizations

in_channel, idx_base, cstart, rstart, input_cols, input_rows, 0);

    }
    else {
      ACX_FUN_LOAD (load_sub_matrix, spatial) (
        input_ptr, temp_mk, &cmk, kc_strip, actual_kc,
        k, kernel_ri, input_ri, in_channel, idx_base,
        cstart, rstart, input_cols, input_rows, kernel_rows, 0);
    }
#else
    for (int ik = 0; ik < actual_kc; ik += 1) {
      int kc  = (k + ik) / kernel_ri;
      int kri = (k + ik) - kc * kernel_ri;
      int kr  = kri / in_channel;
      int ki  = kri - kr * in_channel;

int input_col = kc + cstart;

      int input_row = kr + rstart;
      if (input_col < input_cols && input_col >= 0 &&
        input_row < input_rows && input_row >= 0) {
        int input_index = idx_base + input_col * input_ri
          + input_row * in_channel + ki;
        temp_mk[cmk] = input_ptr[input_index];
      }
      cmk++;
    }
#endif
}

To maximize the performance of caching, we need to make the memory access as

consecutive as possible. Depending on whether the input channel is divisible by the
supported data length of SIMD (e.g., 8 float numbers for AVX), we provide two sets of
implementations for filling the temporary blocks. If the input channel is divisible by
data length, the input matrix can always be loaded consecutively at a step of data length
with the AVX intrinsics; otherwise, I have to build the temporary matrix blocks with less
AVX intrinsics, on only part of the matrix, and then take care of the edge cases. During
loading data from input ndarrays to these matrix blocks, we also use AVX intrinsics such
as _mm256_load_ps to improve performance.
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Chapter 2 Core Optimizations

#define FUN_NATIVE(dim) stub_float32_ndarray_conv ## _ ## dim ## _ ## native

#define FUN_BYTE(dim) stub_float32_ndarray_conv ## _ ## dim  ## _ ## bytecode
#define TYPE float
#define INIT
#define ALPHA 1.
#define BETA 0.
#define GEMM cblas_sgemm
#ifdef OWL_AVX
  #define AVX_PSIZE 8
  #define AVX_TYPE __m256
  #define ACX_FUN_LOAD(prefix, dim) prefix ## _ ## float32 ## _ ## dim
  #define AVX_STOREA _mm256_store_ps
  #define AVX_STOREU _mm256_storeu_ps
  #define AVX_LOADA  _mm256_load_ps
  #define AVX_LOADU  _mm256_loadu_ps
  #define AVX_ADD    _mm256_add_ps
#endif
#include "owl_ndarray_conv_impl.h"
#undef GEMM
#undef BETA
#undef ALPHA
#undef INIT
#undef TYPE
#undef FUN_BYTE
#undef FUN_NATIVE
#ifdef OWL_AVX
  #undef AVX_PSIZE
  #undef AVX_TYPE
  #undef ACX_FUN_LOAD
  #undef AVX_STOREA
  #undef AVX_STOREU
  #undef AVX_LOADA
  #undef AVX_LOADU
  #undef AVX_ADD
#endif

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Chapter 2 Core Optimizations

Finally, we reduce the implementation complexity by applying templates,

abstracting elements such as function names, SIMD functions to be used, GEMM
routines, etc. These implementations can then be easily extended to the three-
dimensional and one-dimensional cases. Besides, the transpose convolutions and
diluted convolutions are only variations of normal convolution, and the code only
needs to be slightly changed. Above this C implementation level, mutable convolution
operations are also provided, so as to further improve performance by utilizing existing
memory space.

2.6 Automated Empirical Optimization of Software

We have introduced various optimization techniques so far, and together they comprise
a very large optimization space. For example, we can apply both multicore and SIMD
parallelism while utilizing certain cache techniques. We need to consider many different
methods to apply, each with numerous possible parameters to tune. Sometimes, these
techniques even conflict with each other, for example, each trying to take as much
processor resource as possible. Worse still, with the heterogeneity of hardware devices,
an “optimal” configuration on one machine may lead to degraded performance. It is thus
of utmost importance for a numerical library to provide good performance on all devices
it supports. For example, ATLAS and the recent Intel Math Kernel Library both provide
optimized mathematical routines for science and engineering computations. They are
widely used in many popular high-level platforms such as Matlab and TensorFlow.
One of the reasons these libraries can provide good performance is that they have
adopted the paradigm of Automated Empirical Optimization of Software, or AEOS. That
is, a library chooses the best method and parameter to use on a given platform to do a
required operation. One highly optimized routine may run much faster than a naively
coded one. Optimized code is usually platform and hardware specific, so an optimized
routine on one machine could perform badly on the other. Though Owl currently does
not plan to improve the low-level libraries it depends on, as an initial endeavor to
apply the AEOS paradigm in Owl, one ideal tuning point is the parameters of OpenMP
used in Owl.

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Chapter 2 Core Optimizations

Figure 2-9. Parallel execution of the sin operation on ndarray using OpenMP

Figure 2-10. Compare the behavior of abs and sine when using OpenMP

Currently, many computers contain shared memory multiprocessors. OpenMP

is used in key operations in libraries such as Eigen and MKL. Owl has also utilized
OpenMP on many mathematical operations to boost their performance by threading
calculation. For example, Figure 2-9 shows that when we apply the sine function on an
ndarray in Owl, on a 4-core CPU MacBook, the OpenMP version only takes about a third
of the execution time compared with the non-OpenMP version.

43
Chapter 2 Core Optimizations

However, performance improvement does not come for free. The overhead of
using OpenMP comes from time spent on scheduling chunks of work to each thread,
managing locks on critical sections, startup time of creating threads, etc. Therefore,
when the input ndarray is small enough, these overheads might overtake the benefit of
threading.
What is a suitable input size to use OpenMP then? This question would be easy to
solve if there is one single suitable input size threshold for every operation, but that is
not the case. In a small experiment, we compare the performance of two operations, abs
(absolute value) and sin, in three cases: running them without using OpenMP, with
two-thread OpenMP, and with four-thread OpenMP.
The result in Figure 2-10 shows that, with growing input size, for the sine operation,
the OpenMP version outperforms the non-OpenMP version at a size of less than 1000,
but when using abs operation, that cross point is at about 1,000,000. The complexity of
math operations varies greatly, and the difference is even starker when we compare their
performance on different machines. Note that both axes use a log scale, and that is why a
small deviation when the input array size is small looks large in the figure.
This issue becomes more complex when considered in real applications such as
DNN, where users need to deal with operations of vastly different complexity and
input sizes. Thus, one fixed threshold for several operations is not an ideal solution.
Considering these factors, we need a fine-grained method to decide a suitable OpenMP
threshold for each operation.
Toward this end, we implement the AEOS module in Owl. The idea is to add a tuning
phase before compiling and installing Owl, so that each operation learns a suitable
threshold parameter to decide if OpenMP should be used or not, depending on the input
size. The key idea of parameter tuning is simple. We implement two versions of each
operation, one using OpenMP and the other not. We then measure their execution time
for various sizes of input. Each measurement is repeated multiple times, and, to reduce
the effect of outliers, only the values that are within the first and the third quartiles
are used. After removing outliers, regression is performed to find a suitable input size
threshold. According to our initial experiment, linear regression is fit to estimate the
OpenMP parameters here. Since this tuning phase is executed before compiling Owl,
the AEOS module is independent of Owl, and all necessary implementation is coded
separately to ensure that future changes of Owl do not affect the AEOS module itself.

44
Chapter 2 Core Optimizations

The tuned parameters then need to be passed to Owl. When the OpenMP switch is
turned on, the AEOS module generates a C header file which contains the definition of
macros, each of which defines a threshold for one operation. When this header file is not
generated, predefined default macro values are used instead. After that, Owl is compiled
with this header file and uses these tuned parameters in its math operations. The tuning
phase only needs to be performed once on each machine during installation.
The design of the AEOS module focuses on keeping tuning simple, effective, and
flexible. Each operation is implemented as a single OCaml module, so that support for
new operations can be easily added. The interface of such a module is shown as follows.
We expect that tuning does not have to be only about OpenMP parameters and that
different regression methods could be used in the future. For example, the Theil-Sen
estimator can be plugged in for parameter estimation if necessary. In each module,
arbitrary tuning procedures can be plugged in as long as the interface is satisfied.

module Sin = struct

(** Tuner type definition. *)

type t = {
    mutable name  : string;
    mutable param : string;
    mutable value : int;
    mutable input : int array array;
    mutable y     : float array
}

val make : unit -> t (** Create the tuner. *)

val tune : t -> unit (** Tuning process. *)
val save_data : t -> unit
(** Save tuned data to csv file for later analysis. *)
val to_string : t -> string
(** Convert the tuned parameter(s) to string to be written on file *)
end

The AEOS module is implemented in such a way that brings little interference to the
main Owl library. Code can be viewed in this pull request and has been merged into the
main branch of Owl. You only need to switch the ENABLE_OPENMP flag from 0 to 1 in the
dune file to try this feature.

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Chapter 2 Core Optimizations

To evaluate the performance of tuned OpenMP thresholds, we need a metric to

compare them. One metric to compare two thresholds is proposed as follows. I generate
a series of ndarrays, whose sizes grow by certain steps until they reach a given maximum
number, for example, 1,000,000, used in the following experiment. Note that only input
sizes that fall between these two thresholds are chosen to be used. I then calculate the
performance improvement ratio of the OpenMP version function over the non-OpenMP
version on these chosen ndarrays. The ratios are added up and then amortized by the
total number of ndarrays. Hereafter, I use this averaged ratio as a performance metric.

Table 2-1. Tuned Parameters Using the AEOS Module

Platform tan sqrt sin exp sigmoid

Laptop 1632 max_int 1294 123 1880

Raspberry Pi 1189 209 41 0 0

Figure 2-11. Improvement of the square root operation after applying

parameter tuning

Table 2-1 presents the tuned threshold values of five operations on a MacBook
with a 1.1GHz Intel Core m3 CPU and a Raspberry Pi 3B. We can see that they vary
across different operations and different machines, depending on their computational
complexity. For example, on MacBook, the tuning result is “max_int”, which means that
for the relatively simple square root calculation, OpenMP should not be used, but that is
not the case on Raspberry Pi. Also, note that the less powerful Raspberry Pi tends to get
lower thresholds.

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Chapter 2 Core Optimizations

We also compare the tuned thresholds with a series of regular thresholds.

Specifically, for each operation, we choose ten different thresholds with a fixed interval:
0, 100000, 200000… 900000. For each generated threshold, we use 100 numbers between
0 and 1E6 as ndarray sizes. They are also generated with a fixed interval. The execution
time on the ndarrays of given sizes for each threshold are then compared with that of the
tuned threshold, and the element-wise ratios between these two arrays can be plotted as
a bar plot for each threshold. For example, the comparison for the square root operation
on the MacBook is shown in Figure 2-11. Here, each bar indicates the ratio between the
tuned and the chosen threshold. One hundred percent means these two are of the same
effect on performance, and lower percentage means the tuned threshold leads to faster
execution time. This figure shows that regardless of the choice of fixed thresholds, the
tuned parameter can always lead to similar or better execution time of operations in the
AEOS module.
Note that we cannot claim that the tuned parameters are always optimal, since the
figure shows that in some rare cases where the improvement percentages are negative,
the randomly found values indeed perform better. Also, the result seems to suggest that
AEOS can provide a certain bound, albeit a loose one, on the performance improvement,
regardless of the type of operation.

2.7 Summary
In this chapter, we focused on the optimization of core ndarray operations in Owl. We
started by introducing the Ndarray module in Owl and its pivotal role in a numerical
library and then introduced how we interface the OCaml code to the C language. The
rest of this chapter mostly focused on optimizations at the C level. As an important
background, we explained the principles in optimizing scientific computing code, such
as utilizing parallelism of processors and locality of caches. Next, we briefly introduced
some techniques based on these principles. As an example, we demonstrated how we
apply some of them to optimize one of the most important operations in deep neural
networks: the convolution. Finally, we briefly introduced the automatic tuning approach
to optimize library performance across various platforms, using multicore parallel
computing on Owl as an example.

47
Chapter 2 Core Optimizations

48
CHAPTER 3

Algorithmic Differentiation
Differentiation is key to numerous scientific applications including maximizing or
minimizing functions, solving systems of ODEs, physical simulation, etc. Of existing
methods, algorithmic differentiation, or AD, is a computer-friendly technique for
performing differentiation that is both efficient and accurate. AD is a central component
of the architecture design of Owl. In this chapter, we will show, with hands-on examples,
how the AD engine is designed and implemented in Owl. AD will be used in some of the
other chapters to show its application in optimization and machine learning.

3.1 Introduction
Assume an object moves a distance of Δs in a time Δt, the average velocity of this object
during this period can be defined as the ratio between Δs and Δt. As both values get
smaller and smaller, we can get the instantaneous velocity:

∆s ds
v = lim = (3.1)
∆t → 0 ∆t dt

ds
The term is referred to as “the derivative of s with respect to t.”
dt
Differentiation is the process of finding a derivative in mathematics. It studies the
functional relationship between variables, that is, how much one variable changes when
the value of another variable changes. Differentiation has many important applications,
for example, finding minimum and maximum values of a function, finding the rate of
change of quantity, computing linear approximations to functions, and solving systems
of differential equations. Its critical roles in these key mathematical fields mean it is
widely used in various fields. One example is calculating marginal cost and revenue in
economics.

49
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_3
Chapter 3 Algorithmic Differentiation

In computer science, differentiation also plays a key role. Machine learning

techniques, such as deep neural networks, have been gaining more and more
momentum. The most important step in training a deep neural network module is called
“backpropagation,” which in essence is calculating the gradient of a very complicated
function.

Three Ways of Differentiating

If we are to support differentiation at a scale as large as a deep neural network, manual
calculation based on the chain rule in Calculus 101 is far from being enough. To do
that, we need the power of automation, which is what a computer is good at. Currently,
there are three ways to calculate differentiation: numerical differentiation, symbolic
differentiation, and algorithmic differentiation.
The first method is numerical differentiation. Derived directly from the definition,
numerical differentiation uses a small step δ to compute an approximate value toward
the limit, as shown in Eq. 3.2.

f (x +δ )− f (x)
f ′ ( x ) = lim . (3.2)
δ →0 δ

By treating the function f as a black box, this method is straightforward to implement

as long as f can be evaluated. However, this method is unfortunately subject to multiple
types of errors, such as the round-off error. It is caused by representing numbers with
only a finite precision during the numerical computation. The round-off error can be so
large as to that the computer thinks f (x + δ) and f (x) are identical.
The second is symbolic differentiation. By manipulating the underlying
mathematical expressions, symbolic differentiation obtains analytical results without
numerical approximation, using mathematical derivative rules. For example, consider
the function f (x0, x1, x2) = x0 ∗ x1 ∗ x2. Computing ∇f symbolically, we end up with

 ∂f ∂f ∂f 
∇f =  , ,  = ( x1 ∗ x 2 ,x 0 ∗ x 2 ,x1 ∗ x 2 )
 ∂x 0 ∂x1 ∂x 2 

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Chapter 3 Algorithmic Differentiation

High-level API

operators op-builder reverse

Types

Figure 3-1. Architecture of the AD module

This process completely eliminates the impact of numerical errors, but the
complexity of symbolic manipulation quickly grows as expressions become more
n −1
complex. Just imagine computing the derivative of a simple calculation f ( x ) = ∏xi : the
i =0

result would be terribly long, if not that complex. As a result, symbolic differentiation can
easily consume a huge amount of computing resource and becomes impractically slow
in the end. Besides, unlike in numerical differentiation, we must know how a function is
constructed to use symbolic differentiation.
Finally, there is the algorithmic differentiation (AD). It is a chain rule–based
technique for calculating derivatives with respect to input variables of functions
defined in a computer program. Algorithmic differentiation is also known as automatic
differentiation, though strictly speaking it does not fully automate differentiation and
can sometimes lead to inefficient code. In general, AD combines the best of both worlds:
on one hand, it efficiently generates exact results and so is highly applicable in many
real-world applications; on the other hand, it does not rely on listing all the intermediate
results, and its computing process can be efficient. Therefore, it is the mainstream
implementation of many numerical computing tools and libraries, such as JuliaDiff
in Julia, ad in Python, ADMAT, etc. The rest of this chapter focuses mainly on algorithmic
differentiation.

Architecture of Algodiff Module

The Algodiff module plays a pivotal role in the whole Owl library stack. It unifies
various fundamental data types in Owl and is the most important functionality that
serves the advanced analytics such as regression, neural networks, etc. Its design is
elegant thanks to OCaml’s powerful module system.
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Chapter 3 Algorithmic Differentiation

In this chapter, we assume you are familiar with how differentiation works
mathematically, so we can focus on the design and implementation details of the AD
module in Owl. But first, let’s take a look at a simple example to see how the AD module
is used in Owl. In this example, we simply calculate the first-order and second-order
derivatives of the function tanh.

module AD = Algodiff.D

let f x = AD.Maths.(tanh x);;

let f1 = AD.diff f;;
let f2 = AD.diff f1;;

let eval_flt h x = AD.(pack_flt x |> h |> unpack_flt);;

let r1 = eval_flt f1 1.
let r2 = eval_flt f2 1.

That’s all it takes. We define the function and apply diff on it to acquire its first-
order derivative, on which the diff function can be directly applied to get the second-
order derivative. We then evaluate and get the function value at point x = 1 on these two
derivative functions.
Figure 3-1 shows the various components in the AD module. Let us inspect how
they fit into the example code. First, we cannot directly use the basic data types, such
as ndarray and float number. Instead, they need to be first “packed” into a type that
the AD module understands. In this example, pack_flt is used to wrap a normal float
number into an AD type float. After calculation finishes, assuming we still get an AD type
float as output, it should be unpacked into a normal float number using the function
unpack_flt. The type system is the most fundamental building block in AD. Second,
to construct a computation in the AD system, we need to use operators, such as tahn
used in this example. AD provides a rich set of operators that are generated from the
op_builder module. After constructing a graph by stacking the operators, the AD engine
starts to let the input data “flow,” or “propagate,” twice in this graph, once forward
and once backward. The key function that is in charge of this process is the reverse
function. Based on the aforementioned process, we can calculate the differentiation of
various sorts. To simplify coding, a series of high-level APIs are constructed. The diff
function used in this example is one such API. It applies differentiation on a function
that accepts a float number as input and outputs a float number. These high-level APIs

52
Chapter 3 Algorithmic Differentiation

lead to extremely elegant code. As shown in this example, we can simply apply the
differentiation function on the original tanh function iteratively to get its first-order,
second-order, and any other higher-order derivatives. In the next several sections, we
will explain these building blocks in detail and how these different pieces are assembled
into a powerful AD module.

[

PXO VLQ RXWSXW

[

Figure 3-2. Computation graph in the example calculation

3.2 Types
We start with type definition. The data type in AD is defined in the owl_algodiff_types.
ml file, as shown in the following. Even if you are familiar with the type system in OCaml,
it may still seem a bit confusing. The essence of AD type is to express the forward and
reverse differentiation modes. So first, we use an example to demonstrate how these two
AD modes work.

module Make (A : Owl_types_ndarray_algodiff.Sig) = struct

  type t =
    | F   of A.elt
    | Arr of A.arr
    | DF  of t * t * int
    | DR  of t * t ref * op * int ref * int * int ref

and adjoint = t -> t ref -> (t * t) list -> (t * t) list

  and register = t list -> t list
  and label = string * t list
  and op = adjoint * register * label
end

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Chapter 3 Algorithmic Differentiation

Forward and Reverse Modes

In this part, we illustrate the two modes of differentiation with an example, which is
based on this simple function:

y ( x 0 ,x1 ) = ( sin x 0 x1 ) (3.3)

 ∂y ∂y 
This function takes two inputs, and our aim is to compute ∇y =  , .
 ∂x 0 ∂x1 
Computations can be represented as a graph shown in Figure 3-2. Each node
represents either an input/output or intermediate variables generated by the
corresponding mathematical function. Each node is named vi. Herein, the input v0 = x0
and v1 = x1. The output y = v4.
Both the forward and reverse modes rely on basic rules to calculate differentiation. On

d
one hand, there are the basic forms of derivative equations, such as sin ( x ) = cos ( x ) ,
dx
d
u ( x )v ( x ) = u ′ ( x )v ( x ) + u ( x )v ′ ( x ) , etc. On the other is the chain rule. It states that,
dx
suppose we have two functions f and g that can be composed to create a function
F(x) = f(g(x)), then the derivative of F can be calculated as

F ′( x ) = f ′( g ( x ) ) g ′( x ) (3.4)

Table 3-1. The Computation Process of Forward Differentiation, Shown to Three

Significant Figures
Primal Computation Tangent Computation

0 v0 = x0 = 2
v0 = 1
1 v1 = x1 = 2
v1 = 0
2 v2 = v0 v1 = 4
v2 = v0v1 + v1 v0 = 2 ∗ 0 + 2 ∗ 1 = 2
3
v3 = sin (v2 ) = −0.757 y = v3 = cos (v2 ) ∗ v2 = −0.654 ∗ 2 = −1.308

The question is how to implement them in a differentiation system.

54
Chapter 3 Algorithmic Differentiation

F orward Mode
Let’s look at the first way, namely, the “forward” mode, to calculate derivatives. We
∂y ∂y
ultimately wish to calculate (and , which can be calculated in a similar way).
∂x 0 ∂x1
We begin by calculating some intermediate results that will prove to be useful. Using
∂v ∂v
the labels vi to refer to the intermediate computations, we have 0 = 1 and 1 = 0
∂x 0 ∂x 0
immediately, since v0 = x0 and v1 = x1 actually.
∂v2
Next, consider , which requires us to use the derivative rule on multiplication. It
∂x 0
is a bit trickier and requires the use of the chain rule:

∂v2 ∂ ( x 0 x1 ) ∂ ( x0 ) ∂ ( x1 )
= = x1 + x0 = x1
∂x 0 ∂x 0 ∂x 0 ∂x 0

∂v2
After calculating , we proceed to compute partial derivatives of v4 which is the
∂x 0
∂y
final result we are looking for. This process starts with the input variables and ends
∂x 0
with the output variables, and that’s where the name “forward differentiation” comes
∂vi
from. We can simplify the notation by letting vi = . The vi is called the tangent of
∂x 0
function vi(x0, x1, …, xn) regarding the input variable x0, and the results of evaluating the
function at each intermediate point are called the primal value.
Let’s calculate y when setting x0 = 2 and x1 = 2. The full forward differentiation
calculation process is shown in Table 3-1 where two simultaneous computation
processes take place in the two computation columns: the primal just performs
computation following the computation graph; the tangent gives the derivative for each
intermediate variable with regard to x0.
Two things need to be noted in this calculation process. The first is that in
algorithmic differentiation, unlike symbolic differentiation, the computation is
performed step by step, instead of after the whole computation is unwrapped into one
big formula following the chain rule. Second, in each step, we only need to keep two
values: primal and tangent. Besides, each step only needs to have access to its “parents,”
using graph theory’s term. For example, to compute v2 and v2 , we need to know the
primal and tangent of v0 and v1; to compute that of v3, we need to know the primal and
tangent of v2; etc. These observations are key to our implementation.
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Chapter 3 Algorithmic Differentiation

Reverse Mode
Now let’s rethink about this problem from the other direction: from outputs to inputs.
∂y
The problem remains the same, that is, to calculate . We still follow the same “step-
∂x 0
by-step” procedure as in the previous forward mode. The only difference is that this time
we calculate it backward. For example, in our example y = v3 = sin (v 2 ) , so if only we
∂y
know , we would move a step closer to our target solution.
∂v2
∂y ∂y
We first observe that = 1 , since y and v3 are the same. We then compute by
∂v3 ∂v2
applying the chain rule:

∂y ∂y ∂v3 ∂ sin (v2 )

= ∗ = 1∗ = cos (v2 ). (3.5)
∂v2 ∂v3 ∂v2 ∂v2

We can simplify it by applying a substitution:

Table 3-2. The Forward Pass in Reverse Mode

Primal Computation

0 v0 = x0 = 2
1 v1 = x1 = 2
2 v2 = v0 ∗ v1 = 4

3 y = sin (v2 ) = v0 v1 = −0.757

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Chapter 3 Algorithmic Differentiation

Table 3-3. The Backward Pass in Reverse Mode

Adjoint Computation

4 v3 = 1

5 ∂v3 ∂ ( sin (v 2 ) )
v2 = v3 = v3 = 1 ∗ cos (v2 ) = −0.654
∂v2 ∂v2

6 ∂v2 ∂ (v0v1 )
v1 = v2 = v2 = −0.654 ∗ v0 = −1.308
∂v1 ∂v1

7 ∂v2 ∂ (v0v1 )
v0 = v2 = v2 = −0.654 ∗ v1 = −1.308
∂v1 ∂v0

∂y
vi =
∂vi

for the derivative of output variable y with regard to intermediate node vi. vi is called the
“adjoint of variable vi with respect to the output variable y.” Using this notation, Eq. 3.5
can be rewritten as

∂v3
v2 = v3 ∗ = 1 ∗ cos ( v2 )
∂v2

Note the difference between tangent and adjoint. In forward mode, we know v0 and
v1 and then calculate v2 , v3 , … until we get the target. In reverse mode, we start with

vn =1 and calculate vn−1 , vn−2 , … until we have our target v0 = ∂y = ∂y . v3 = v0 in this
∂v0 ∂x 0
example, given that we are talking about derivatives with respect to x0 when we use v3 .
As a result, the reverse mode is also called the adjoint mode.
Following this procedure, we can now perform the complete reverse mode
differentiation. Note one major difference compared to the forward mode. In Table 3-1,
we can compute the primal and tangent in one pass, since computing one of them does
not require the other. However, as shown in the previous analysis, it is possible to require

the value of v2 and possibly other previous primal values to compute v2 . Therefore,

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Chapter 3 Algorithmic Differentiation

a forward pass1 is first required, as shown in Table 3-2, to compute the required
intermediate values. They are actually identical to those in the Primal Computation
column of Table 3-1. We put it here again to stress our point about this stand-alone
forward computing pass.
Table 3-3 shows the backward pass in the reverse differentiation process, starting
from the very end, and calculates all the way up to the beginning. A short summary: To
compute differentiation using reverse mode, we need a forward pass to compute primal
and next a backward pass to compute adjoint.
Both the forward and reverse modes are equivalent in computing differentiation. So
you might wonder, since the forward mode looks more straightforward, why don’t we
∂y ∂y
just stick with it all along? Note that we obtained “for free” while calculating .
∂x1 ∂x 0
But in the forward mode, to calculate the derivative regarding another input, we have
to calculate all the intermediate results again. So here lies one of the most significant
strengths of the reverse mode: no matter how many inputs there are, a single reverse
pass gives us all the derivatives of the inputs.
This property is extremely useful in neural networks. The computation graph
constructed in neural networks tend to be quite complex, often with more than one input.
The target of using AD is to find the derivative of the output – probably a scalar value of a
loss function – regarding inputs. Thus, using the reverse mode AD is more efficient.

D
ata Types
Now that we understand the basic elements in computing a derivative, let’s turn to the
data type used in the AD system. It is built upon two basic types: scalar number F and
ndarray Arr. They are of type A.elt and A.arr. Here, A presents an interface that mostly
resembles that of an ndarray module. It means that their specific types, such as single or
double precision, C implementation or base implementation, etc., all depend on this A
ndarray module. Therefore, the AD module does not need to deal with all the lower-level
details. We will talk about how the AD module interacts with the other modules later
in this chapter. For now, it suffices to simply understand them as, for example, single-
precision float number and ndarray with single-precision float as elements, so as to
better grasp the core ideas in AD.

1
Not to be confused with the “forward differentiation mode” introduced before.

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Chapter 3 Algorithmic Differentiation

module Make (A : Owl_types_ndarray_algodiff.Sig) = struct

  type t =
    | F   of A.elt
    | Arr of A.arr
    (* primal, tangent, tag *)
    | DF  of t * t * int
    (* primal, adj accu, op, fanout, tag, tracker *)
    | DR  of t * t ref * op * int ref * int * int ref

and adjoint = t -> t ref -> (t * t) list -> (t * t) list

and register = t list -> t list

and label = string * t list

and op = adjoint * register * label

end

The other two types are compounded types, each representing one differentiation
mode. The DF type contains three parts, and the most important ones are the first two:
primal and tangent. The DR type contains six parts, and the most important ones are the
first, primal, and the third, op. op itself consists of three parts: adjoint, register, and label,
of which adjoint is the most important component. The DR type also contains an adjoint
accumulator (the second parameter), a fanout flag, and a tracker flag. The accumulator
is of reference type since it needs to be updated during the propagation process. Both
DF and DR types contain a tag of integer type. Later, we will discuss how these extra parts
work in an AD engine. To focus on the core idea in AD, for now we introduce the most
important elements: primal, tangent, and adjoint.
In essence, the computation graph in AD is constructed by building a list. Each
element of this list contains two elements: the partial derivative computation and the
original type t data. In the data type, the adjoint is a function. For each t type data, it
specifies how to construct this list. Though the derivative computation rule of different
operators varies, the adjoint generally falls into several patterns. For example, here is
what the adjoint function looks like for an operation/function that takes one input and
produces one output, such as sin, exp, etc.

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Chapter 3 Algorithmic Differentiation

let r a =
  let adjoint cp ca t = (dr (primal a) cp ca, a) :: t in
  let register t = a :: t in
  let label = S.label, [ a ] in
  adjoint, register, label

Here, the r function returns an op type, which consists of the adjoint function,
the register function, and the label tuple. First, let’s look at the adjoint function. The
first two variables cp and ca will be used in the derivative function dr. We will talk
about it later in Section 3.3. For now, we only need to know that the reverse derivative
computation dr calculates something; we put it together with the original input operator
a into a tuple and add them to the existing list t, which is the third argument. The other
two components are supplementary. The register function actually is an adjoint
function without really calculating adjoints; it only stacks a list of original operators. The
third one, label, puts together a string such as “sin” or “exp” to the input operator.
Next, let’s see another example in an operator that takes multiple inputs, such as add,
mul (multiplication), etc. It’s a bit more complex:

let r_d_d a b =
  let adjoint cp ca_ref t =
    let abar, bbar = dr_ab (primal a) (primal b) cp ca_ref in
    (abar, a) :: (bbar, b) :: t
  in
  let register t = a :: b :: t in
  let label = S.label ^ "_d_d", [ a; b ] in
  adjoint, register, label

The difference is that one such operator needs to push two items into the list. So here
dr_ab is still a function that calculates derivatives reversely, and it returns the derivatives
on its two parents, noted by abar and bbar, which are both pushed to the adjoint list.
The register and label follow a similar pattern. In fact, in an operator that takes multiple
inputs, we should consider other options, which is that one of the inputs is just a
constant element. In that case, only one element should be put into the list:

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Chapter 3 Algorithmic Differentiation

let r_d_c a b =
  let adjoint cp ca_ref t = (S.dr_a (primal a) b cp ca_ref, a) :: t in
  let register t = a :: t in
  let label = S.label ^ "_d_c", [ a; b ] in
  adjoint, register, label

Operations on AD Type
After understanding the data type defined in AD, let’s take a look at what sorts of
operations can be applied to them. They are defined in the owl_algodiff_core.ml
file. The most notable ones are the “get” functions that retrieve certain information
from an AD type data, such as its primal, tangent, and adjoint values. In the following
code, the primal' is a “deep” function that recursively finds the primal value as float or
ndarray format.

let primal = function

  | DF (ap, _, _)          -> ap
  | DR (ap, _, _, _, _, _) -> ap
  | ap                     -> ap

let rec primal' = function

  | DF (ap, _, _)          -> primal' ap
  | DR (ap, _, _, _, _, _) -> primal' ap
  | ap                     -> ap

let tangent = function

  | DF (_, at, _) -> at
  | DR _          -> failwith "error: no tangent for DR"
  | ap            -> zero ap

let adjval = function

  | DF _                   -> failwith "error: no adjval for DF"
  | DR (_, at, _, _, _, _) -> !at
  | ap                     -> zero ap

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And the zero function resets all elements to the zero status:

let rec zero = function

Another group of important operations are those that convert the AD type to and
from ordinary types such as float and ndarray:

let pack_elt x = F x

  let unpack_elt x =
    match primal x with
    | F x -> x
    | _   -> failwith "error: AD.unpack_elt"

let pack_flt x = F A.(float_to_elt x)

let _f x = F A.(float_to_elt x)

let pack_arr x = Arr x

  let unpack_arr x =
    match primal x with
    | Arr x -> x
    | _     -> failwith "error: AD.unpack_arr"

There are also operations that provide helpful utilities. One of them is the zero we
have seen, and also some functions show type information:

let shape x =
    match primal' x with
    | F _    -> [||]
    | Arr ap -> A.shape ap
    | _      -> failwith "error: AD.shape"

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Chapter 3 Algorithmic Differentiation

3.3 Operators
The graph is constructed with a series of operators that can be used to process AD type
data as well as building up a computation graph that is differentiable. They are divided
into submodules: Maths is the most important component, and it contains a full set of
mathematical functions to enable constructing various computation graphs; Linalg
contains a subset of linear algebra functions; NN contains functions used in neural
networks, such as two-dimensional convolution, dropout, etc.; Mat is specifically for
matrix operations, such as eye that generates an identity matrix; and Arr provides
functions such as shape and numel for ndarrays.
As shown in Figure 3-1, the implementation of an operation can be abstracted into
two parts: (a) what the derivative and calculation rules of it are and (b) how these rules
are applied into the AD system. The first part is defined in the owl_algodiff_ops.ml,
and the latter is in owl_algodiff_ops_builder.ml.

C
alculation Rules
Let’s look at some examples from the first to see what these calculation rules are and how
they are expressed in OCaml. We can use the sine function as an example. It takes an
input and computes its sine value as output. This module specifies four computing rules,
each corresponding to one type of AD data. Here, module A is the underlying “normal”
ndarray module that implements functions for ndarray and scalar values. It can be single
precision or double precision, implemented using OCaml or C. For the F scalar type,
ff_f specifies using the sin function from the Scalar submodule of A. If the data is an AD
ndarray, ff_arr states that the sine functions should be applied on all of its elements by
using the A.sin function. Next, if the data is of type DF, the df function is used. As shown
in the example in Table 3-1, it computes tangent (at) * derivative of primal (ap). In the
case of the sine function, it computes at * cos ap. Finally, the dr computes what we
have shown in Table 3-3. It computes adjoint (ca) * derivative of primal (a). Therefore,
here it computes !ca * cos a. Using the get reference operator !ca is because the
adjoint value in the DR type is a reference that can be updated.

module struct
  let label = "sin"
  let ff_f a = F A.Scalar.(sin a)
  let ff_arr a = Arr A.(sin a)

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Chapter 3 Algorithmic Differentiation

let df _cp ap at = at * cos ap

let dr a _cp ca = !ca * cos a
end

The similar template can be applied to other operators that take one input and
produce one output, such as the square root (sqrt), as shown in the next module. The

( )
1
′
derivative rule for the square root is x = .
2 x
module struct
  let label = "sqrt"
  let ff_f a = F A.Scalar.(sqrt a)
  let ff_arr a = Arr A.(sqrt a)
  let df cp _ap at = at / (pack_flt 2. * cp)
  let dr _a cp ca = !ca / (pack_flt 2. * cp)
end

However, things get more complicated once an operator needs to deal with more
than one input. The problem is that for each of these four computation rules, we need to
consider multiple possible cases. Take the divide operation as an example. For a simple
primal value computation, we need to consider four cases: both inputs are scalar, both
are ndarray, and one of them is ndarray and the other is scalar. It corresponds to four
rules: ff_aa, ff_bb, ff_ab, and ff_ba. For the forward computation of tangent regarding
a
, we also need to consider three cases:
b
• df_da corresponds to the derivative when the second input is
constant:
′
 a ( x )  a′( x )
  = (3.6)
 b  b

• In code, it is at / bp. Here, at is the tangent of the first input a′(x),

and bp is the primal value of the second input b.
• df_db corresponds to the derivative when the first input is constant:
′
 a  a a 1
  = − b ′ ( x ) = −b ′ ( x ) , (3.7)
 b( x )  b( x ) b( x ) b( x )
2

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Chapter 3 Algorithmic Differentiation

• And thus, it can be represented by neg bt*cp/bp. Here, neg is the

a
negative operator, and cp represents the original input .
b( x )
• df_dab is for the case that both inputs are of nonconstant AD type,
that is, DF or DR. It thus calculates

a(x )
′ a′( x ) − b′ ( x )
 a(x )  b( x )
  = , (3.8)
 b( x )  b( x )

• And the corresponding code is (at-(bt*cp))/bp.

Expressing the rules in computing the reverse mode is more straightforward. If both
∂y ∂y
inputs a and b are nonconstant, then the function dr_ab computes a and b ,
∂a ∂b
a
where y = . Thus, dr_ab returns two values; the first is a / b (!ca / b), and the
b
a
second is − 2 (!ca * (neg a / (b * b))). In the code, squeeze_broadcast x s is an
b
internal helper function that squeezes array x so that it has shape s. If one of the inputs is
constant, then we can just omit the corresponding result, as shown in dr_a and dr_b.

module struct
  let label = "div"
  let ff_aa a b = F A.Scalar.(div a b)
  let ff_ab a b = Arr A.(scalar_div a b)
  let ff_ba a b = Arr A.(div_scalar a b)
  let ff_bb a b = Arr A.(div a b)
  let df_da _cp _ap at bp = at / bp
  let df_db cp _ap bp bt = neg bt * cp / bp
  let df_dab cp _ap at bp bt = (at - (bt * cp)) / bp
  let dr_ab a b _cp ca =
    ( _squeeze_broadcast (!ca / b) (shape a)
    , _squeeze_broadcast (!ca * (neg a / (b * b))) (shape b) )
  let dr_a a b _cp ca = _squeeze_broadcast (!ca / b) (shape a)
  let dr_b a b _cp ca = _squeeze_broadcast
    (!ca * (neg a / (b * b))) (shape b)
end
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Chapter 3 Algorithmic Differentiation

A similar example is the operator pow that performs ab calculation. It implements

calculation rules that are similar to those of div.

module struct
  let label = "pow"
  let ff_aa a b = F A.Scalar.(pow a b)
  let ff_ab a b = Arr A.(scalar_pow a b)
  let ff_ba a b = Arr A.(pow_scalar a b)
  let ff_bb a b = Arr A.(pow a b)
  let df_da _cp ap at bp = at *
    (ap ** (bp - pack_flt 1.)) * bp
  let df_db cp ap _bp bt = bt * cp * log ap
  let df_dab cp ap at bp bt =
    ((ap ** (bp - pack_flt 1.)) * (at * bp)) +
      (cp * bt * log ap)
  let dr_ab a b cp ca =
    ( _squeeze_broadcast (!ca *
      (a ** (b - pack_flt 1.)) * b) (shape a)
    , _squeeze_broadcast (!ca * cp * log a) (shape b) )
  let dr_a a b _cp ca =
    _squeeze_broadcast (!ca *
      (a ** (b - pack_flt 1.)) * b) (shape a)
  let dr_b a b cp ca = _squeeze_broadcast
    (!ca * cp * log a) (shape b)
end

Generalize Rules into Builder Template

So far, we have talked about the calculation rules, but there is still a question: how to
utilize these rules to build an operator of type t that we have described in Section 3.2.
To do that, we need to use the power of functor in OCaml. In the AD module in Owl,
the operators are categorized according to the number of inputs and outputs, each with
its own template. Let’s take the “single-input-single-output” (SISO) operators such as
sine as an example. This template takes a module of type Siso as input, as shown in the
following. Notice that the calculation rules of the sine function shown in the previous
section exactly forms such a module.

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Chapter 3 Algorithmic Differentiation

module type Siso = sig

  val label : string
  val ff_f : A.elt -> t
  val ff_arr : A.arr -> t
  val df : t -> t -> t -> t
  val dr : t -> t -> t ref -> t
end

In the end, we need to build a sin : t -> t operator, which accepts a data of AD
type t and returns output of type t. This function is what we need:

let op_siso ~ff ~fd ~df ~r a =

  match a with
  | DF (ap, at, ai) ->
    let cp = fd ap in
    DF (cp, df cp ap at, ai)
  | DR (ap, _, _, _, ai, _) ->
    let cp = fd ap in
    DR (cp, ref (zero cp), r a, ref 0, ai, ref 0)
  | ap -> ff ap

These names may seem enigmatic. Here, the fd x function calculates the primal
value of x. ff x performs forward computation on the two basic types: scalar and
ndarray. The df cp ap at function computes the tangents in forward mode. Finally,
the function r computes the op part in the type, which “remembers” how to build up
the graph in the form of a list. To put them together, the basic logic of this function goes
like this:
• If the input is a DF type, produce a new DF type after calculating the
primal and tangent in forward mode.
• If the input is a DR type, produce a new DR type, with its knowledge
about how to compute adjoints and how to build up the list.
• Otherwise, it’s the basic type, scalar or ndarray; perform simple
forward computation on it.

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Chapter 3 Algorithmic Differentiation

Note that the newly constructed DR type, aside from its primal value and op being
updated, the rest values, including adjoint, label, etc., are all set to 0. That is because a
computation graph is constructed in the forward pass, and the calculation of adjoints
does not happen in this step.
So the next question is: for the sine function, how can we get the fd, ff, etc.? Luckily,
from the previous Siso module that specifies various calculation rules, we have already
had all the ingredients required. Assume we have named this Siso sine module S, then
we have the forward computation on the two basic types:

let ff = function
  | F a   -> S.ff_f a
  | Arr a -> S.ff_arr a
  | _     -> error_uniop label a

And the r function looks like what we have introduced in Section 3.2, using the dr
function from module S to specify how to construct the list.

let r a =
  let adjoint cp ca t = (S.dr (primal a) cp ca, a) :: t in
  let register t = a :: t in
  let label = S.label, [ a ] in
  adjoint, register, label

So now we have the function:

let rec f a =
  let open S in
  (* define ff and r as stated above *)
  let fd a = f a in
  op_siso ~ff ~fd ~df:S.df ~r a

Put them together, and here is the final function that accepts a module and builds an
operator:

let build_siso =
  (* define op_siso *)
  fun (module S : Siso) ->
    (* define f *)
    f

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Chapter 3 Algorithmic Differentiation

To build a sin operator, we use the following code:

let sin = build_siso (

  module struct
    let label = "sin"
    let ff_f a = F A.Scalar.(sin a)
    let ff_arr a = Arr A.(sin a)
    let df _cp ap at = at * cos ap
    let dr a _cp ca = !ca * cos a
  end : Siso)

The code is concise, easy to read, and less prone to various possible errors in coding.
To build another “siso” operator, such as a square root, we only need to change the rules:

let sqrt = build_siso (

  module struct
    let label = "log"
    let ff_f a = F A.Scalar.(log a)
    let ff_arr a = Arr A.(log a)
    let df _cp ap at = at / ap
    let dr a _cp ca = !ca / a
  end : Siso)

Here, we only use the most simple SISO type builder template as an example. We
also include the other templates:
• SIPO: Single input and pair outputs, such as the linear algebra
operation qr for QR factorization
• SITO: Single input and three outputs, such as the SVD factorization

• SIAO: Single input and array outputs, such as the split function that
splits input ndarray into multiple ones
• PISO: Pair inputs and single output, such as add and mul

• AISO: Array input and single output, such as concatenate, the

inverse operation of split

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Chapter 3 Algorithmic Differentiation

These templates can become quite complex. For example, in building the add
function, to choose from different combinations of possible input types, the builder
function can be as complex as

op_piso ~ff ~fd ~df_da ~df_db ~df_dab ~r_d_d ~r_d_c ~r_c_d a b

But the principles are the same.

3.4 API
The previous section introduces AD operators, the building blocks to construct an AD
computation graph. The next thing we need is an “engine” that begins the differentiation
process. For that purpose, we first introduce several low-level APIs provided by the AD
module and explain how they are used to build up user-friendly advanced APIs such as
diff and grad.

L ow-Level APIs
We differentiate between the two differentiation modes: forward mode and backward
mode. As explained in the previous section, if an input x is of type DF, then by applying
operations such as sin x, a computation graph is constructed, and the primal and
tangent values are also computed during this process. All we need to do is to retrieve the
required value once this process is finished. To start a forward mode differentiation, we
need to create a DF type data as initial input, using the primal value, the initial tangent
(equals to 1), and an integer tag as arguments:

let make_forward p t i = DF (p, t, i)

For example, if we are to calculate the derivative of f = sin (x2) at x = 2, we can first
create an initial point as

let x = make_forward (pack_flt 2.) (pack_flt 1.) 1

let y = Maths.(pow x (pack_flt 2.) |> sin)
let t = tangent y

That’s it. Once the computation y is constructed, we can directly retrieve the tangent
value using the tangent function.

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Chapter 3 Algorithmic Differentiation

The backward mode is a bit more complex. Remember that it consists of two passes:
one forward and one backward. From the previous section, we know that once the graph
is constructed, the primal data are calculated, but the adjoint values are all set to zero.
Therefore, we need some extra mechanism to pump the computation flow backward to
calculate adjoint values. Here is an example to use low-level APIs to compute derivatives
in the reverse mode:

open AD

let f x = Maths.(pow x (pack_flt 2.) |> sin)

let x = 2.;
let x' = make_reverse x (tag ());
let y = f x';
let _ = reverse_prop (F 1.) y;
let y' = adjval x';;

The problem to solve is still the same: calculate the derivative of f = sin (x2) at x = 2;
the only difference is that we use the reverse mode this time. Let’s explain this example
line by line. First, we still need to build an initial operator with make_reverse.

let make_reverse p i =
  let adjoint _cp _ca t = t in
  let register t = t in
  let label = "Noop", [] in
  DR (p, ref (zero p), (adjoint, register, label), ref 0, i, ref 0)

The make_reverse function constructs a DR type data with a given primal value. The
rest of its fields are all set to zero. It does two things: first, it wraps input x into a value
of type t for Algodiff to process; second, it generates a unique tag for the input so that
input numbers can be nested. Next, calling f x' constructs the computation graph of f,
capturing the primal values and knowledge about how to calculate adjoints all in the DR
type data y.
Next, reverse_prop propagates the error back to the inputs:

let reverse_prop v x =
reverse_reset x;
reverse_push v x

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Chapter 3 Algorithmic Differentiation

It consists of two steps: first, reset all values in this graph to initial status (reverse_
reset); second, perform backward propagation (reverse_push). Both follow a recursive
process.

  let reverse_reset x =
    let rec reset xs =
      match xs with
      | []     -> ()
      | x :: t ->
        (match x with
        | DR (_cp, aa, (_, register, _), af, _ai, tracker) ->
          aa := reset_zero !aa;
          af := !af + 1;
          tracker := succ !tracker;
          if !af = 1 && !tracker = 1 then reset (register t) else reset t
        | _ -> reset t)
    in
    reset [ x ]

The next function is reverse_push that is the core engine that drives the backward
propagation process. Its core idea is simple. It maintains a stack t of (adjoint value, AD
value) pairs. At each iteration, the push function takes one pair out of the head of stack.
The adjoint value v is added to the adjoint accumulator aa in the DR type node |x|. The
node also specifies an adjoint function that knows how to calculate adjoint values of its
parents, in the form of one or more (adjoint value, AD value) pairs. This process starts
with only one pair, which is the output DR type value of a whole computation. It finishes
when stack t is empty.

let reverse_push =
    let rec push xs =
      match xs with
      | []          -> ()
      | (v, x) :: t ->
        (match x with
        | DR (cp, aa, (adjoint, _, _), af, _ai, tracker) ->
          aa := reverse_add !aa v;
          (af := Stdlib.(!af - 1));

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Chapter 3 Algorithmic Differentiation

if !af = 0 && !tracker = 1

          then push (adjoint cp aa t)
          else (
            tracker := pred !tracker;
            push t)
        | _ -> push t)
    in
    fun v x -> push [ v, x ]

After this step, the gradient of f is stored in the adjacent value of x', and we can
retrieve the value using the adjval function.

H
igh-Level APIs
Based on the basic low-level APIs, we are able to build more high-level and easy-to-
access differentiation functions. The most commonly used function for differentiating is
diff in the AD module. Given a function f that maps one scalar value to another, we can
calculate its derivative at point x by diff f x. For example, given the triangular function
tanh, we can easily calculate its derivative at position x = 0.1, as follows:

open Algodiff.D
let f x = Maths.(tanh x);;
let d = diff f (F 0.1);;

Its implementation using the forward mode low-level API is quite simple:

let diff' f x =
    if not (is_float x) then
      failwith "input must be a scalar";
    let x = make_forward x (pack_flt 1.) (tag ()) in
    let y = f x in
    primal y, tangent y

let diff f x = diff' f x |> snd

Next, we can generalize derivatives of scalar functions to gradients of multivariate

functions. For a function that maps a vector input to a scalar, the grad function calculates
its gradient at a given point. For example, in a three-dimensional space, the gradient at

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Chapter 3 Algorithmic Differentiation

each point on a surface consists of three elements representing the partial derivative
along the x, y, and z axes. This vector indicates the direction in which the function has
the largest magnitude change. Its implementation uses the standard reverse mode:

let grad' f x =
    let x = make_reverse x (tag ()) in
    let y = f x in
    assert (is_float y);
    reverse_reset y;
    reverse_push (pack_flt 1.) y;
    primal y, x |> adjval

let grad f x = grad' f x |> snd

One important application of gradient is in gradient descent, a widely used technique

for finding the minimum value of a function. We will discuss it in more detail in Chapter 4.
Just as gradient generalizes derivatives from scalars to vectors, the Jacobian
function generalizes gradient from vectors to matrices. In other words, grad is applied
to functions mapping vectors to scalars, while jacobian is applied to functions that map
vectors to vectors. If we assume the function f takes an input vector of length n and
produces an output vector of length m, then the Jacobian is defined as

 ∂y 0 ∂y 0 ∂y 0 
 ∂x …
∂x1 ∂xn −1 
 0 
 ∂y 2 ∂y 2 ∂y 2 
 …
J ( y ) =  ∂x 0 ∂x1 ∂xn −1 
   …  
 
 ∂ym −1 ∂ym −1
…
∂ym −1 
 ∂x 0 ∂x1 ∂xn −1 

The intuition behind the Jacobian is similar to that of the gradient. At a particular
point in the domain of the target function, the Jacobian shows how the output vector
changes given a small change in the input vector. Its implementation is as follows:

let jacobianv' f x v =
    if shape x <> shape v
    then failwith "jacobianv': vector not the same dimension as input";
    let x = make_forward x v (tag ()) in

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Chapter 3 Algorithmic Differentiation

let y = f x in
primal y, tangent y

let jacobianv f x v = jacobianv' f x v |> snd

The advanced APIs support convenient composition and can be used to build
more complex ones. For example, the second-order derivative of function f can be
implemented as g = f |> diff |> diff. Another example is the hessian API. Given a
multivariate function that maps n input variables to a scalar, this function calculates its
second-order derivatives as a matrix. Its implementation is based on Jacobian:

let hessian f x = (f |> grad |> jacobian) x

In most applications, we use these high-level APIs to support more advanced

applications, such as optimization, regression, neural network, etc. One good example
is to implement Newton’s method for finding the minimum value of a function.
Rather than moving only in the direction of the gradient, Newton’s method combines
∇f ( x n )
the gradient with the second-order gradients of a function, , starting
∇ 2 f ( xn )
from a random position and iterating until convergence according to Eq. 3.9. Its
implementation in OCaml is shown as follows:

xn +1 = xn − α H −1∇f ( xn ) (3.9)

open Algodiff.D

let rec newton ?(eta=F 0.01) ?(eps=1e-6) f x =

  let g = grad f x in
  let h = hessian f x in
  if (Maths.l2norm' g |> unpack_flt) < eps then x
  else newton ~eta ~eps f Maths.(x - eta * g *@ (inv h))

As an example, we can apply this method to a two-dimensional triangular function,

starting from a random initial point, to find a local minimum. Note that the newton
function takes a vector as input and outputs a scalar.

let _ =
let f x = Maths.(cos x |> sum') in
newton f (Mat.uniform 1 2)
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Chapter 3 Algorithmic Differentiation

Besides what we have mentioned, Owl also implements other high-level

differentiation functions, such as laplacian, which calculates the Laplacian operator
∇2f, or the trace of a Hessian matrix. In essence, they are all built upon a concise set of
low-level APIs or other high-level APIs. We will see more applications of the AD module
in later chapters.

3.5 More Implementation Details

Besides the main structure we have mentioned so far, there are some other details that
should be mentioned to build an industry-grade AD module. We introduce them in this
section.

Perturbation Confusion and Tag

We have explained some of the fields in the DR type. But one of them is not covered yet:
tag of type int, which is used to solve a particular problem when calculating higher-
order derivatives with nested forward and backward modes. This problem is referred to
as perturbation confusion. It is crucial for an AD engine to function properly to handle
this problem. Here, we only scratch the surface of it. Let’s look at an example. Suppose
we want to compute the derivative of

d(x + y)
f (x) = x
dy

that is, a function that contains another derivative function. It initially seems
d(x + y)
straightforward, and we don’t even need a computer’s help: as = 1 so
dy
f′(x) = x′ = 1. Unfortunately, applying the simple implementation without tag leads to
wrong answer.

# let diff f x =
    match x with
    | DF (_, _)    ->
      f x |> tangent
    | DR (_, _, _) ->
      let r = f x in

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Chapter 3 Algorithmic Differentiation

reverse_push [(1., r)];

!(adjoint x);;
val diff : (t -> t) -> t -> float = <fun>

# let f x =
let g = diff (fun y -> add_ad x y) in
mul_ad x (make_forward (g (make_forward 2. 1.)) 1.);;
val f : t -> t = <fun>

# diff f (make_forward 2. 1.);;

- : float = 4.

The result is 4 at point (2, 2), but we have previously calculated, and the result should
be 1 at any point. What has gone wrong? The answer is a bit tricky. Note that x=DF(2,1).
dx
The tangent value equals to 1, which means that = 1 . Now if we continue to use this
dx
same x value in function g, whose variable is y, the same x=DF(2,1) can be incorrectly
dx
translated by the AD engine as = 1 . Therefore, when used within function g, x
dy
should actually be treated as DF(2,0). That’s where tagging comes to help. It solves the
nested derivative problem by distinguishing derivative calculations and their associated
attached parameters with a unique tag for each usage of the derivative operator.

L azy Evaluation
We have seen how separating building template and operation definitions makes it
convenient to add new operations, simplifying code and improving productivity. But
it comes with a price: efficiency. Imagine a large calculation that contains thousands
of operations, with one operation occurring many times. Such situations are actually
quite common when using AD with neural networks where large computation graphs
are created that use functions such as add and mul many hundreds of times. With the
Builder approach described earlier, the operation will be recreated every time it is
used, which is rather inefficient. Fortunately, we can simply use OCaml’s lazy evaluation
mechanism to perform caching.

val lazy: 'a -> 'a lazy_t

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module Lazy : sig

type 'a t = 'a lazy_t
val force : 'a t -> 'a
end

OCaml provides a built-in function lazy that accepts an input of type 'a and returns
a value of type 'a lazy_t where the computation of the value of type 'a has been
delayed. This lazy expression won’t be evaluated until it is called by Lazy.force, and the
first time it is called, the expression is evaluated and the result is cached. Subsequent
applications of Lazy.force will simply return the cached result without further
reevaluation. Here is an example of lazy evaluation in OCaml:

# let x = Printf.printf "hello world!"; 42

hello world!
val x : int = 42
# let lazy_x = lazy (Printf.printf "hello world!"; 42)
val lazy_x : int lazy_t = <lazy>
# let _ = Stdlib.Lazy.force lazy_x
hello world!
- : int = 42
# let _ = Stdlib.Lazy.force lazy_x
- : int = 42
# let _ = Stdlib.Lazy.force lazy_x
- : int = 42

In this example, we can see that building lazy_x does not evaluate the content,
which is delayed to the first Lazy.force. After that, every time force is called, only the
value is returned; the x itself, including the printf function, will not be evaluated. Now
come back to the AD module in Owl. Imagine that we need to add support for the sin
operation. The definition of sin remains the same:

open Algodiff.D

module Sin = struct

  let label = "sin"
  let ff_f a = F A.Scalar.(sin a)
  let ff_arr a = Arr A.(sin a)
  let df _cp ap at = Maths.(at * cos ap)

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let dr a _cp ca = Maths.(!ca * cos (primal a))

end

However, we can instead use lazy evaluation to actually build the implementation
and benefit from the efficiency gain of the caching it provides.

let _sin_ad = lazy Builder.build_siso (module Sin : Builder.Siso);;

let new_sin_ad = Lazy.force _sin_ad;;

In this way, regardless of how many times this sin function is called in a massive
computation graph, the Builder.build_siso process is only evaluated once.

E xtending AD
A significant benefit of the module design described earlier is that it can be easily
extended by providing modules representing new functions. For example, suppose
that the AD system did not support the natural logarithm, sin x , whose derivative
is sin′ x = cos x . Including this function is a simple matter of defining the necessary
functions for calculating primal, tangent, and adjoint values in a module and applying
the relevant function from the Builder module – in this case, build_siso for building
“single input, single output” functions.

open Algodiff.D

module Sin = struct

  let label = "sin"
  let ff_f a = F A.Scalar.(sin a)
  let ff_arr a = Arr A.(sin a)
  let df _cp ap at = Maths.(at * cos ap)
  let dr a _cp ca = Maths.(!ca * cos (primal a))
end

let new_sin_ad = Builder.build_siso (module Sin : Builder.Siso)

We can directly use this new operator as if it is a native operation in the AD module.
For example:

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Chapter 3 Algorithmic Differentiation

# let f x1 x2 =
    let x1 = F. x1 in
    let x2 = F. x2 in
    Maths.(div (cos x1) (new_sin_ad x2);;
val f : t -> t = <fun>

G
raph Utility
Though not core functions, various utility functions provide convenience to users, for
example, tools to visualize the computation graph built up by AD. They come in handy
when we are trying to debug or understand how AD works. The core of the visualization
function is a recursive traverse routine:

let _traverse_trace x =
    let nodes = Hashtbl.create 512 in
    let index = ref 0 in
    (* local function to traverse the nodes *)
    let rec push tlist =
      match tlist with
      | []       -> ()
      | hd :: tl ->
        if Hashtbl.mem nodes hd = false
        then (
          let op, prev =
            match hd with
            | DR (_ap, _aa, (_, _, label), _af, _ai, _) -> label
            | F _a -> Printf.sprintf "Const", []
            | Arr _a -> Printf.sprintf "Const", []
            | DF (_, _, _) -> Printf.sprintf "DF", []
          in
          (* check if the node has been visited before *)
          Hashtbl.add nodes hd (!index, op, prev);
          index := !index + 1;
          push (prev @ tl))
        else push tl
    in

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Chapter 3 Algorithmic Differentiation

(* iterate the graph then return the hash table *)

push x;
nodes

The _traverse_trace and its related functions are used to convert the computation
graph generated in backward mode into human-readable format. It initializes variables
for tracking nodes and indices, then iterates the graph and puts required information
into a hash table. With some extra code, the parsed information can be displayed on a
terminal or be converted into other formats that are suitable for visualization, such as
the dot format by Graphviz.

3.6 How AD Is Built upon Ndarray

We have been saying how the AD does not need to deal with the details of computation
implementation and thus can focus on the logic of differentiation. In previous examples,
we assume the A module to be any Ndarray module. In the final section of this chapter,
we will explain how the AD module is built upon the Ndarray modules. We hope to
illustrate the power of the functor system in promoting a modular style system design.
First, the Ndarray module used in the AD module is not purely Ndarray as
introduced in Chapter 2, but also contains several other modules, including the scalar
functions, the ones that are specific to matrix and linear algebra. Together, they are called
the Owl_algodiff_primal_ops module. Based on the specific precision of the modules
included, it also divides the S and D submodules. For example, here are the components
of Owl_algodiff_primal_ops.S:

module S = struct
include Owl_dense_ndarray.S

module Scalar = Owl_maths

module Mat = struct

    let eye  = Owl_dense_matrix_s.eye
    let tril = Owl_dense_matrix_s.tril
    let triu = Owl_dense_matrix_s.triu
    ...
  end

module Linalg = struct

include Owl_linalg_s
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Chapter 3 Algorithmic Differentiation

    let qr a =
      let q, r, _ = qr a in
      q, r

...
end
end

By replacing the single-precision modules used in it, such as Owl_dense_ndarray.S

and Owl_dense_matrix_s, with their double-precision counterparts, we can get the
Owl_algodiff_primal_ops.D module. Moreover, by replacing them with the base
Ndarray modules, such as Owl_base_dense_ndarray.S, we can acquire AD modules the
calculation of which is based on pure OCaml. Actually, the implementation is not limited
to these types. The interface of the Owl_algodiff_primal_ops module is specified in
the Owl_types_ndarray_algodiff.Sig module. As long as a module implements all
the required functions and modules, it can be plugged into AD. For example, we can
utilize the computation graph module in Owl and build a symbolic Ndarray module.
An AD module built on this module can provide powerful symbolic computation
functionality. It means that the execution of both forward and reverse differentiation
modes can benefit from various optimization opportunities, such as graph and memory
optimizations. We will explain the computation graph module in Chapter 6.
To build an AD module, we use code similar to the following:

module S = Owl_algodiff_generic.Make (Owl_algodiff_primal_ops.S)

module D = Owl_algodiff_generic.Make (Owl_algodiff_primal_ops.D)

So next, let’s take a look at the Owl_algodiff_generic.Make functor. It includes all

the existing submodules we have introduced so far: the core module, the operators, and
the differential API functions such as make_forward and diff, as follows:

module Make (A : Owl_types_ndarray_algodiff.Sig) = struct

module Core = Owl_algodiff_core.Make (A)
include Core

module Ops = Owl_algodiff_ops.Make (Core)

include Ops

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Chapter 3 Algorithmic Differentiation

let make_forward p t i = DF (p, t, i)

  let make_reverse p i = ...
  let diff f x = ...
  let grad f x = ...
end

These components all rely on the fundamental computation module A. The Core
module itself is built using a functor, with the ndarray module as the parameter. Its
interface is specified in Owl_algodiff_core_sig.ml, as follows. It includes the basic type
definition of types and the operations that can be applied on them.

module type Sig = sig

module A : Owl_types_ndarray_algodiff.Sig

include Owl_algodiff_types_sig.Sig
with type elt := A.elt and type arr := A.arr

val primal : t -> t

  val tangent : t -> t
  val adjref  : t -> t ref
  ...
end

Next, the operators such as sin are built using the Core module as a parameter. As
we have explained, first the Builder module works as a factory that assembles various
operators by providing different templates such as siso, including a type definition of
the template and the function to build operators.

module Make (Core : Owl_algodiff_core_sig.Sig) = struct

open Core

module type Siso = sig

    val label : string
    val ff_f : A.elt -> t
    val ff_arr : A.arr -> t
    val df : t -> t -> t -> t
    val dr : t -> t -> t ref -> t

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Chapter 3 Algorithmic Differentiation

end

let build_siso =
...

Then in the operator module, based on Core and Builder, this module contains
all the operators which are built from the builder functions. They are categorized into
different modules such as Maths and Linalg.

module Make (Core : Owl_algodiff_core_sig.Sig) = struct

  open Core
  module Builder = Owl_algodiff_ops_builder.Make (Core)
  open Builder

module Maths = struct

    let cos = (build_siso
      (module struct
        let label = "cos"
        let ff_f a = F A.Scalar.(cos a)
        let ff_arr a = Arr A.(cos a)
        let df _cp ap at = neg (at * sin ap)
        let dr a _cp ca = !ca * neg (sin a)
      end : Siso))

and sin = (build_siso ...)

...
end

module Linalg = struct

...
end

  module NN = struct
  ...
  end

...
end

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Chapter 3 Algorithmic Differentiation

3.7 Summary
In this chapter, we discussed the design of one of the core modules in Owl: the
algorithmic differentiation module. We started from its basic theory and difference
among three types of differentiations. Then we presented the overall architecture of
the AD module in Owl. We explained several parts in detail in the following sections:
the definition of types in this system, the operators, and the APIs built on existing
mechanisms. We also discussed more subtle issues that should be paid attention to
when building an industry-level AD engine, such as avoiding the perturbation confusion
issue and using lazy evaluation to improve performance, graph visualization, etc. Finally,
we explained how the AD system is built upon the Ndarray module in Owl.

Mathematical
Optimization
Mathematical optimization is the process of searching for optimal values from a
selection of parameters, based on a certain metric. It can be formalized as follows:
minimise f (x)
(4.1)
subject to g i ( x ) < bi ,i = 1,2 ,…,n.

Here, vector x = {x1, x2, …, xn} is the optimization variables, and function f :  n → 
is the target function. The functions g i :  n →  ,i = 1,2 ,…,n are the constraints,
with constants bi being the constraint boundaries. The target of solving optimization
problems is to find x∗ to minimize f.
An optimization problem aims to find a solution that minimizes some quantity;
therefore, it arises in a wide range of disciplines, such as finance, engineering, computer
science, etc. For example, in portfolio management in the finance industry, an optimal
solution is required to divide the given total capital into n types of investments, where xi
is the amount of capital invested in financial asset i. The target might be to maximize to
the expected return or to minimize the risk. The constraints might be requiring that the
smallest return be larger than a predefined value, etc.
An optimization problem can be categorized into multiple types. The general form
in Eq. 4.1 contains several constraints. If there are no constraints, the problem is called
an unconstrained optimization; otherwise, it’s a constrained optimization problem. From
another perspective, some optimization target is to find the global minimal point (e.g.,
minimize f (x) = x2), while the others only need to find the optimum in a certain range (e.g.,
minimize f (x) = sin (x) in the range of [0, 2π]). In this chapter, and in the implemented
module in Owl, we focus on the unconstrained and local optimization problems. Specifically,
we have implemented one of the most important optimization methods: gradient descent.

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© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_4
Chapter 4 Mathematical Optimization

4.1 Gradient Descent
The gradient descent method is one of the most commonly used family of iterative
optimization processes. Its basic idea is to start from an initial value and then find a
certain search direction along a function to decrease the value by a certain step size until
it converges to a local minimum. We can thus describe the nth iteration of the descent
method as follows:

1. Calculate a descent direction d.

2. Choose a step size μ.

3. Update the location: xn + 1 = xn + μ d.

Repeat this process until a stopping condition is met, such as the update being
smaller than a threshold. Among the descent methods, gradient descent is one of the
most widely used algorithms to perform optimization and the most common way to
optimize neural networks. Based on the preceding descent process, a gradient descent
method uses the function gradient to decide its direction d and can be described as
follows:

1. Calculate a descent direction − ∇ f (xn).

2. Choose a step size μ.

3. Update the location: xn + 1 = xn + μ ∇ f (xn).

Here, ∇ denotes the gradient. The distance μ along a certain direction is also called
the learning rate of this iteration. In a gradient descent process, when searching for the
minimum, it always follows the direction that is against the direction represented by the
negative gradient. The gradient can be calculated based on the algorithm differentiation
module we have introduced in Chapter 3. That’s why the whole Optimisation module is
built on Algodiff.
The implementation of gradient descent according to this definition is plain enough.
For example, for a certain differentiable function f that does have one global minimal
point, the following simple Owl code would do:

module n = Dense.Ndarray.D
open Algodiff.D

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Chapter 4 Mathematical Optimization

let _ =
  for i = 1 to n - 1 do
    let u = grad f !x |> unpack_arr in
    x := N.(sub !x (scalar_mul alpha u))
  done;;

It’s basically a line-to-line translation of the process described before. You should be
familiar with the functions from the AD module, such as grad for calculating gradients
and unpack_arr for converting an AD type ndarray into a normal one. However, there
are a lot of details that should be attended to if we need to implement a robust gradient
descent method, such as how the learning rate should change, how other variant
methods should be incorporated, etc. Next, we will introduce several building blocks for
this method and the structure of the Optimise module in Owl.

4.2 Components
The core of the Optimise module in Owl abstracts several aspects of the gradient descent
method in applications: learning rate, gradient method, momentum, etc. Each of them is
represented as a submodule. All computation in these modules relies on the AD module.
The following code shows an outline of this optimization module. It is designed as a
functor parameterized by the AD module. In this section, we introduce a part of these
submodules and how they implement different methods.

module Make (Algodiff : Owl_algodiff_generic_sig.Sig) = struct

module Algodiff = Algodiff
open Algodiff

module Learning_Rate = struct

...
end

module Gradient = struct

...
end

...

end

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Chapter 4 Mathematical Optimization

Learning Rate
When training a machine learning model, the learning rate is arguably the most important
hyperparameter that affects the training speed and quality. It specifies how much the
model weight should be changed given the estimated error in each training round. A large
learning rate may lead to suboptimal solutions and unstable training processes, whereas a
small rate may result in a long training time. That’s why choosing a proper learning rate is
both crucial and challenging in model training. There exist various methods to decide the
learning rate, and we have incorporated them in the Learning_rate module, as follows:

module Learning_Rate = struct

    type typ =
      | Adagrad   of float
      | Const     of float
      | Decay     of float * float
      | RMSprop   of float * float

let run = function

      | Adagrad a -> fun _ _ c ->
        Maths.(_f a / sqrt (c.(0) + _f 1e-32))
      | Const a -> fun _ _ _ -> _f a
      | Decay (a, k) -> fun i _ _ ->
        Maths.(_f a / (_f 1. + (_f k * _f (float_of_int i))))
      | RMSprop (a, _)   -> fun _ _ c ->
        Maths.(_f a / sqrt (c.(0) + _f 1e-32))

let default = function

      | Adagrad _   -> Adagrad 0.01
      | Const _     -> Const 0.001
      | Decay _     -> Decay (0.1, 0.1)
      | RMSprop _   -> RMSprop (0.001, 0.9)

let update_ch typ g c =

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Chapter 4 Mathematical Optimization

let to_string = function,

      | Adagrad a      -> Printf.sprintf "adagrad %g" a
      | Const a        -> Printf.sprintf "constant %g" a
      | Decay (a, k)   -> Printf.sprintf "decay (%g, %g)" a k
      | RMSprop (a, k) -> Printf.sprintf "rmsprop (%g, %g)" a k
end

This module consists of the type definitions of learning rate methods and the
functions that can be applied on it. The Learning_Rate.typ consists of four different
types of algorithms.1 For each type, it specifies parameters it requires.
Let’s look at how these methods are implemented to better understand the code.
The Const method is the most straightforward: just using a constant learning rate value
throughout the whole training process,. In typ, its only parameter is this learning rate as
a float number. Next, the run function takes in a learning rate type as input and returns
a function that accepts three inputs: the iteration number i, the gradient g, and the
parameters used in this method c (an array of floats). This function specifies how the
learning rate should be changed. In the case of the Const method, the rate does not
change. So it simply returns the previous learning rate itself. Recall from Chapter 3 that
_f wraps a float number into an AD scalar type. The default and to_string are helper
functions. The first generates a learning rate method with default parameters, and the
second prints parameter information of a given method.
The Adagrad method is a bit more complex. As the name suggests, it changes
the learning rate adaptively: a larger update step size for parameters associated with
infrequent features and small learning rate otherwise. Its parameter update at the t’s
iterate follows the following rules:
gt
θ t +1 = θ t − µ (4.2)
Gt + 

Here, G is the sum of the squares of the corresponding gradients gt’s up to time step t.
This equation consists of two parts. The first is how the learning rate should be updated.
It is specified in the run function. The following code:

fun _ _ c ->
Maths.(_f a / sqrt (c.(0) + _f 1e-32))

1
Actually, there are more learning methods implemented, e.g., Adam optimization; they are
omitted here for the purpose of keeping code demonstration clear.

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Chapter 4 Mathematical Optimization
µ
corresponds to . The c array contains parameters that are utilized in updating μ,
G +

which in this case is G. The second part is how to update this parameter. It is specified in
t
the update_ch function. In this case, the rule is Gt = ∑ g i2 , or
i =1

Gt = Gt −1 + g .2
i

Therefore, the code is

[| Maths.(c.(0) + (g * g)); c.(1) |]

at each iteration. The second element in this array is not used, so it remains the same.
The RMSprop method, is an adaptive learning rate method proposed by Geoff Hinton.
It is an extension of Adagrad. It follows the update rule in Eq. 4.2. Only that here
Gt = kGt −1 + (1 − k ) g t2 (4.3)

Note that k is a factor that is normally set to 0.9. Therefore, the run function keeps the
same; the update_ch function for RMSprop becomes

(_f k * c.(0)) + ((_f 1. - _f k) * g * g)

Compared with Adagrad, by using a decaying moving average of previous gradients,

RMSprop enables forgetting early gradients and focuses on the most recently observed
gradients.
To demonstrate how this seemingly simple framework can accommodate more
complex methods, let’s consider the implementation of the Adam optimizer [33]. Its
parameters are two decaying rates β1 and β2. Updating its learning rate requires two
values: the estimated mean mt and uncentered variance vt of the gradients. They are
updated according to the following rules:
mt = β1 mt −1 + (1 − β1 ) g t
vt = β 2 vt −1 + (1 − β 2 ) g t2

Accordingly, its update_ch can be implemented as

let update_ch typ g c =

  match typ with
  | Adam (_, b1, b2) ->
    let m = Maths.((_f b1 * c.(0)) + ((_f 1. - _f b1) * g)) in

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Chapter 4 Mathematical Optimization

let v = Maths.((_f b2 * c.(1)) + ((_f 1. - _f b2) * g * g)) in

[| m; v |]
| ...

Note the meaning of c is not the same as that in the Adagrad and RMSprop methods.
The next thing is to specify how to update the learning rate. Adam’s update rule is
mt (4.4)
θt = θt −1 − µ ,
vt + 

where
mt v
mt = ,vt = t t .
1 − β1
t
1 − β2

Therefore, the run function of Adam returns a function that utilizes all three
parameters:

let run = function

  | Adam (a, b1, b2) ->
    fun i g c ->
      Maths.(
        let m = c.(0) /
          (_f 1. - (_f b1 ** _f (float_of_int i))) in
        let v = c.(1) /
          (_f 1. - (_f b2 ** _f (float_of_int i))) in
        (_f a) * m / (sqrt v + _f 1e-8)
        / (g + _f 1e-32))
  | ...

Note the final item / (g + _f 1e-32). You might notice that this item is not in
Eq. 4.4. The reason we put it here is that our framework follows this update pattern:
θt = θt −1 − run ( µ ,…) g .

But the final g multiplication item is not in the end of Eq. 4.4. That’s why we divide it
back in the run function.
So far, we have introduced multiple aspects in a learning rate method, most
notably run and update_cn, but we have not yet explained how they will be used in an

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optimization process. We will show that in the next section. For now, let’s move on to
another aspect of optimization: the gradient descent algorithm.

Gradient
We have provided the framework of gradient methods in Section 4.1. However, there
exist many variants of gradient descent algorithms. They are included in the Gradient
module. The code is shown as follows. Its structure is similar to that of Learning_rate.
The typ contains all the supported gradient methods; these methods do not carry type
parameters. The to_string function prints helper information for each method.

module Gradient = struct

let run = function

      | GD          -> fun _ _ _ _ g' -> Maths.neg g'
      | CG          ->
        fun _ _ g p g' ->
          let y = Maths.(g' - g) in
          let b = Maths.(sum' (g' * y) / (sum' (p * y) + _f 1e-32)) in
          Maths.(neg g' + (b * p))
      | CD          ->
        fun _ _ g p g' ->
          let b = Maths.(l2norm_sqr' g' / sum' (neg p * g)) in
          Maths.(neg g' + (b * p))
      | NonlinearCG ->
        fun _ _ g p g' ->
          let b = Maths.(l2norm_sqr' g' / l2norm_sqr' g) in
          Maths.(neg g' + (b * p))

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Chapter 4 Mathematical Optimization

      | DaiYuanCG   ->
        fun _ _ g p g' ->
          let y = Maths.(g' - g) in
          let b = Maths.(l2norm_sqr' g' / sum' (p * y)) in
          Maths.(neg g' + (b * p))
      | NewtonCG    ->
        fun f w _ p g' ->
          let hv = hessianv f w p |> Maths.transpose in
          let b = Maths.(hv *@ g' / (hv *@ p)) in
          Maths.(neg g' + (p *@ b))
      | Newton      ->
        fun f w _ _ _ ->
          let g', h' = gradhessian f w in
          Maths.(neg (g' *@ inv h'))

let to_string = function

The key component is the run function. Remember that the descent optimization
method is all about the process:
xn +1 = xn + µ dn ,

which shows the exploration direction at the next step. The run function specifies the
form of dn. Take the classic gradient descent method as an example; the direction is just

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Chapter 4 Mathematical Optimization

the opposite of gradient. Therefore, dn = − gn, and thus the run function returns another
function:

fun _f _w _g _p g' -> Maths.neg g'

This function takes five parameters as inputs, and the last one is the current gradient,
which is the only parameter used in this case.
Conjugate gradient descent: A problem with gradient descent is that it may perform
badly on certain types of functions. For example, if a function is steep and narrow, then
gradient descent will take many very small steps to reach the minimum, bouncing back
and forth, even if the function is in quadratic form. This can be fixed by the conjugate
gradient (CG) method, which is first proposed by Hestenes and Stiefel [29].
The CG method is similar to gradient descent, but the new direction at each step does
not completely follow the new gradient, but is somehow conjugated to the old gradients
and to all previous directions traversed. If both methods start from the same position,
gradient descent would follow the direction of the descent, which could be a blunt one
since this function is steep. But the conjugate method would prefer following the previous
momentum a little bit. As a result, the conjugate method follows a direction in between.
The new direction finds the minimum more efficiently than the gradient descent method.
The conjugate gradient descent is also a family of optimization methods. Instead of
using the opposite of gradient − ∇ f (xn) as a direction, they follow the procedure in the
nth iteration:

1. Calculate the steepest direction, that is, negative gradient

−gn = − ∇ f (xn).

2. Calculate a certain parameter βn; this parameter varies among

different conjugate gradient methods.

3. Apply the conjugate direction dn = − gn + β dn − 1.

4. Update the optimization process xn = xn − 1 + μn dn where μn is the

learning rate of this iteration n.

Based on this framework, we can take a look at the five parameters in the returned
function:

fun f w g p g' -> ...

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Chapter 4 Mathematical Optimization

Here, g and p are gradient and direction vectors from the previous round; g' is the
gradient of the current round. f is the function to be optimized itself, with input data w.
The CG process can thus be implemented as

fun _f _w g p g' ->

let b = ... in
Maths.(neg g' + (b * p))

In the classic CG method:

g nT ( g n − g n −1 )
βn = . (4.5)
−dnT−1 ( g n − g n −1 )

Here, gn, dn, etc. are assumed to be vectors. Note how this parameter and the CG
method framework utilize information such as gradient and direction from the previous
iteration (gn − 1 and dn − 1). We can implement Eq. 4.5 as

let b =
let y = Maths.(g' - g) in
Maths.(sum' (g' * y) / (sum' (p * y) + _f 1e-32))

It uses the sum' function to perform vector multiplication, and the extra epsilon
value 1e-32 is used to make sure the denominator is not zero.
In the nonlinear conjugate method (NonlinearCG) [21]
g nT g n
βn = .
g nT−1 g n −1

It can thus be implemented as

let b = Maths.(l2norm_sqr' g' / l2norm_sqr' g)

Here, l2norm_sqr' g calculates the square of l2 norm (or Euclidean norm) of all
elements in g, which is gTg.
Similarly, in the conjugate gradient method proposed by Dai and Yuan
(DaiYuanCG) in [16]
g nT g n
βn = − .
dn ( g n − g n −1 )

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The corresponding code is

let b =
let y = Maths.(g' - g) in
Maths.(l2norm_sqr' g' / sum' (p * y))

Newton’s method is another iterative descent method to find optimal values. It

follows the update sequence as shown in the following:
xn +1 = xn − α H −1∇f ( xn ) (4.6)

Here, H is the hessian of f, that is, the second-order gradient of f. The code is a direct
translation of this equation:

fun f w _ _ _ ->
let g', h' = gradhessian f w in
Maths.(neg (g' *@ inv h'))

Here, the Algodiff.gradhessian function returns both gradient and hessian of

function f at point w. The *@ operator is the alias for matrix multiplication, and inv is the
inverse of a matrix. Rather than moving only in the direction of the gradient, Newton’s
method combines the gradient with the second-order gradients of a function, starting
from a random position and iterating until convergence. Newton’s method guarantees
quadratic convergence provided that f is strongly convex with Lipschitz Hessian and
that the initial point x0 is close enough to the prima x∗. Note that this method is not to be
confused with the Newton method that aims to find the root of a function.

M
omentum
The basic gradient descent process can be further enhanced by the momentum
mechanism. It allows some “inertia” in choosing the optimization search direction,
which utilizes previous direction information. It helps to reduce noisy gradient descent
that bounces in search direction. The code of the Momentum module is listed as follows. Its
key component is the run function.

module Momentum = struct

    type typ =
      | Standard of float
      | Nesterov of float

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| None

let run = function

      | Standard m -> fun u u' -> Maths.((_f m * u) + u')
      | Nesterov m -> fun u u' ->
        Maths.((_f m * _f m * u) + ((_f m + _f 1.) * u'))
      | None       -> fun _ u' -> u'

let default = function

      | Standard _ -> Standard 0.9
      | Nesterov _ -> Nesterov 0.9
      | None       -> None

let to_string = function

      | Standard m -> Printf.sprintf "standard %g" m
      | Nesterov m -> Printf.sprintf "nesterov %g" m
      | None       -> Printf.sprintf "none"
end

Recall in the basic structure of gradient descent, the change of value x at the nth
iteration is
dn = − µ∇f ( xn )

With momentum, this process is revised to be

dn = − µ∇f ( xn ) + mdn −1 . (4.7)

The float number m is the momentum parameter that indicates the impact of
direction information in the previous iteration.
The run function in this module returns a function that takes two inputs: the
previous direction u and the current direction u' (calculated using any combination
of learning rate and gradient methods). Therefore, the momentum method described
earlier can be simply implemented as Maths.((_f m * u) + u'). This is the standard
momentum method. If we decide not to use any momentum (None), it simply returns the
current direction u'.

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This module also supports the Nesterov Accelerated Gradient (Nesterov) method
[40]. It employs a simple change on the standard momentum in Eq. 4.7, by first applying
the momentum item on the parameter itself and then calculating the gradient ∇f, before
adding the momentum item again:
dn = − µ∇f ( xn + dn −1m ) + mdn −1 .

In this module, we have implemented the solution by Bengio et al.

B
atch
There is one more submodule we need to mention: the Batch module. It is about
how the input data are divided into chunks and then fed into a training process. From
the previous introduction about gradient descent, you might assume the function
accepts scalar as input. However, in many applications, we should consider applying
optimization on a vector x. That means in calculating the gradients, we need to consider
using a group of data points instead of only one.
From the perspective of calculation, there is not much difference, and we can still
use all the data in calculating the gradients. However, one big application field of such
an optimization method is regression or, more broadly, machine learning, where there
could be millions of data points just to find the optima. We will talk about regression in
Section 4.4. In practice, computing optimization with large quantities of input data can
be unavailable due to the limit of hardware factors such as memory size of the computer.
Therefore, optimization for such problems is often repeated for several executive rounds,
each round called an epoch. In each epoch, the given input data are split into batches.
Each batch can choose to use a batch strategy, as the run function code shown as
follows:

module Batch = struct

    type typ =
      | Full
      | Mini       of int
      | Sample     of int
      | Stochastic

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let run typ x y i =

      match typ with
      | Full       -> x, y
      | Mini c     -> Utils.get_chunk x y i c
      | Sample c   -> Utils.draw_samples x y c
      | Stochastic -> Utils.draw_samples x y 1

let batches typ x =

      match typ with
      | Full       -> 1
      | Mini c     -> Utils.sample_num x / c
      | Sample c   -> Utils.sample_num x / c
      | Stochastic -> Utils.sample_num x

let to_string = function

      | Full       -> Printf.sprintf "%s" "full"
      | Mini c     -> Printf.sprintf "mini of %i" c
      | Sample c   -> Printf.sprintf "sample of %i" c
      | Stochastic -> Printf.sprintf "%s" "stochastic"
  end

The Full strategy uses all the provided data. The Mini c and Sample c strategies
both take in c data points each time; the former chooses data sequentially, and the latter
does randomly. Finally, the Stochastic method only selects one random data point
from existing ones.

Checkpoint
So far, we have introduced how the learning rate, gradients, and momentum modules
return functions which utilize information such as the gradient or direction of the
previous iteration. But where are they stored? The answer lies in the Checkpoint module.
It stores all the information during optimization for later use and saves them as files on
the hard disk if necessary. Its code is shown as follows:

module Checkpoint = struct

  type state = {
    mutable current_batch : int;
    mutable batches_per_epoch : int;
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mutable epochs : float;

    mutable batches : int;
    mutable gs : t array array;
    mutable ps : t array array;
    mutable us : t array array;
    mutable ch : t array array array
    mutable stop : bool;
  }

  type typ =
    | Batch  of int (* default checkpoint at every specified batch
interval *)
    | Epoch  of float (* default  *)
    | Custom of (state -> unit) (* customised checkpoint called at every
batch *)
    | None

....
end

The state type includes fields that we have introduced so far. The ch is used in the
learning rate module and contains parameters to be updated from the previous iteration.
The gs is the gradient of the previous iteration, and ps is the direction of the previous
iteration. Both are used in the gradient methods. The us represents the direction
update of the previous iteration and is the parameter used in momentum methods.
Besides storing this information, there is also the stop boolean value, which indicates
optimization stops if set to true. It also contains other information, including the current
iteration progress in batch, the number of batches in each epoch, and the total number
of epochs to run.
The typ decides at what point the checkpoint should be executed. Batch means to
checkpoint at every specified batch interval. Epoch then checkpoints at every specified
epoch interval. Besides these two, the user can also build customized functions that take
a state type as input to decide when the most proper time is to checkpoint for a specific
application.

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...
  let init_state batches_per_epoch epochs =
    let batches = float_of_int batches_per_epoch *. epochs
      |> int_of_float in {
        current_batch = 1
        ; batches_per_epoch
        ; epochs
        ; batches
        ; stop = false
        ; gs = [| [| _f 0. |] |]
        ; ps = [| [| _f 0. |] |]
        ; us = [| [| _f 0. |] |]
        ; ch = [| [| [| _f 0.; _f 0. |] |] |]
      }

let default_checkpoint_fun save_fun =

    let file_name =
      Printf.sprintf "%s/%s.%i" (Sys.getcwd ())
        "model" (Unix.time () |> int_of_float)
    in
    Owl_log.info "checkpoint => %s" file_name;
    save_fun file_name

let to_string = function

    | Batch i  -> Printf.sprintf "per %i batches" i
    | Epoch i  -> Printf.sprintf "per %g epochs" i
    | Custom _ -> Printf.sprintf "customised f"
    | None     -> Printf.sprintf "none"
  ...

The init_state returns initial values for the different fields in a state. The users
need to specify the number of epochs in optimization and the input data batches in one
epoch. The default_checkpoint_fun executes a function to save certain content in a
file. This save function should be defined by users. And similar to previous modules,
the to_string method provides a convenient print function to show the configuration

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information about this module. Finally, the run function decides a suitable checkpoint
interval and executes the checkpoint function, either the default one or the customized
one provided by the user.

let run typ save_fun current_batch current_loss state =

    state.loss.(current_batch) <- primal' current_loss;
    state.stop <- state.current_batch >= state.batches;
    let interval =
      match typ with
      | Batch i  -> i
      | Epoch i  -> i *.
        float_of_int state.batches_per_epoch |> int_of_float
      | Custom _ -> 1
      | None     -> max_int
    in
    if state.current_batch mod interval = 0 &&
      state.current_batch < state.batches then (
        match typ with
        | Custom f -> f state
        | _        -> default_checkpoint_fun save_fun)

end

Params
The Params submodules are what brings all the other submodules together. It provides
an entry point for users to access various aspects of optimization. The code is shown as
follows:

module Params = struct

    type typ =
      { mutable epochs : float
      ; mutable batch : Batch.typ
      ; mutable gradient : Gradient.typ
      ; mutable learning_rate : Learning_Rate.typ
      ; mutable momentum : Momentum.typ

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; mutable checkpoint : Checkpoint.typ

      ; mutable verbosity : bool
      }
    ...

The Params type consists of the types of other submodules, such as Gradient.typ.
It also includes some other fields such as the number of epochs and a flag verbosity to
indicate if the full information of parameters should be printed out during optimization.

    let default () =
      { epochs = 1.
      ; batch = Batch.Sample 100
      ; gradient = Gradient.GD
      ; learning_rate = Learning_Rate.(default (Const 0.))
      ; momentum = Momentum.None
      ; checkpoint = Checkpoint.None
      ; verbosity = true
      }

let config ?batch ?gradient ?learning_rate

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(match checkpoint with

      | Some x -> p.checkpoint <- x
      | None   -> ());
      (match verbosity with
      | Some x -> p.verbosity <- x
      | None   -> ());
      p.epochs <- epochs;
      p

    let to_string p =
      Printf.sprintf "--- Training config\n"
      ^ Printf.sprintf "epochs: %g\n" p.epochs
      ^ Printf.sprintf "batch: %s\n" (Batch.to_string p.batch)
      ^ Printf.sprintf "method: %s\n" (Gradient.to_string p.gradient)
      ^ Printf.sprintf
          "learning rate: %s\n"
          (Learning_Rate.to_string p.learning_rate)
      ^ Printf.sprintf "momentum: %s\n" (Momentum.to_string p.momentum)
      ^ Printf.sprintf "checkpoint: %s\n"
        (Checkpoint.to_string p.checkpoint)
      ^ Printf.sprintf
          "verbosity: %s\n"
          (if p.verbosity then "true" else "false")
      ^ "---"
  end

The other three functions are straightforward. default assigns default values to each
parameter, config sets parameter values using the given input, and to_string prints
existing values.

4.3 Gradient Descent Implementation

Putting all the aforementioned submodules together, we can now turn to the
implementation of a robust gradient descent optimization method. In the Optimise
module, we implement the minimise_fun, and we will explain its code as follows:

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let minimise_fun params f x =

    let open Params in
    let grad_fun = Gradient.run params.gradient in
    let rate_fun = Learning_Rate.run params.learning_rate in
    let momt_fun = Momentum.run params.momentum in
    let upch_fun = Learning_Rate.update_ch params.learning_rate in
    let chkp_fun = Checkpoint.run params.checkpoint in
    let optz_fun = f in
    ...

The function accepts three inputs: the function f, the initial input x, and the
optimization parameter params. It starts by defining the run function from various
submodules.

    let iterate xi =
      let loss, g = grad' optz_fun xi in
      loss |> primal', g, optz_fun
    in
    ...

iterate defines operations in the ith iteration. It utilizes the Algodiff module to
compute the primal value loss of evaluating optz_fun at point xi and the corresponding
gradient g at that point.

let state = Checkpoint.init_state 1 params.epochs

    let x = ref x in
    while Checkpoint.(state.stop = false) do
      ...
    done;
    state, !x

The preceding code shows the outline of the optimization procedure. First, it
initializes a new state of the optimization process. Here, we set it to one batch per epoch.
Next, the code keeps updating the state during the body of the while loop until the stop
status is set to true. The optimization result x and state are finally returned. The state
contains various historical information as we have explained. Each iteration of the while
loop contains the following steps:

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let loss', g', optz' = iterate !x in

chkp_fun (fun _ -> ())
Checkpoint.(state.current_batch) loss' state;

First, we execute iterate to get gradients. We can define the checkpoint of the
current progress; here, we provide an empty save function, which means no need to save
the current state into the file.

let p' = Checkpoint.(grad_fun optz' !x

        state.gs.(0).(0) state.ps.(0).(0) g') in
      Checkpoint.(state.ch.(0).(0)
        <- upch_fun g' state.ch.(0).(0));

Next, we calculate the gradient descent direction p' using grad_fun, based on
gradient g'. Also, the learning rate parameter ch should be updated.

      let u' =
        Checkpoint.(Maths.(p' * rate_fun
          state.current_batch g' state.ch.(0).(0)))
      in
      let u' = momt_fun Checkpoint.(state.us.(0).(0)) u' in

Then, the optimization direction is adjusted, first based on the learning rate and then
on momentum.

x := Maths.(!x + u') |> primal';

The optimal value is then updated according to the direction u'.

(if params.momentum <> Momentum.None then

        Checkpoint.(state.us.(0).(0) <- u'));
      Checkpoint.(state.gs.(0).(0) <- g');
      Checkpoint.(state.ps.(0).(0) <- p');
      Checkpoint.(state.current_batch <- state.current_batch + 1);

Finally, the values calculated in this iteration, such as the gradients, direction,
etc., are saved in the state for future use. That’s all for one iteration. Let’s look at one
example of optimization using gradient descent. Here, we use Himmelblau’s function; it

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is often used as a performance test for optimization problems. The function contains two
inputs and is defined as in Eq. 4.8.

f ( x ,y ) = ( x 2 + y − 11) + ( x + y 2 − 7 ) .
2 2
(4.8)

Its definition can be expressed using Owl code as

open Algodiff.D
module N = Dense.Ndarray.D

let himmelblau a =
  let x = Mat.get a 0 0 in
  let y = Mat.get a 0 1 in
  Maths.(x ** (F 2.) + y - (F 11.) ** (F 2.) +
    (x + y ** (F 2.) - (F 7.)) ** (F 2.) |> sum')

First, let’s look at what the code would look like without using the Optimise module.
Let’s apply the gradient descent method according to its definition in Section 4.1.

let v = N.of_array [|-2.; 0.|] [|1; 2|]

let traj = ref (N.copy v)
let a = ref v
let eta = 0.0001
let n = 2000;;

Here, we use an initial starting point [-2., 0.]. The step size eta is set to 0.0001,
and the iteration number is 2000. Then we can perform the iterative descent process.

let _ =
  for i = 1 to n - 1 do
  let u = grad himmelblau (Arr !a) |> unpack_arr in
  a := N.(sub !a (scalar_mul eta u));
  traj := N.concatenate [|!traj; (N.copy !a)|]
  done;;

We apply the grad method in the Algodiff module to the Himmelblau function
iteratively, and the updated data a is stored in the traj array. Utilizing the Plot
module in Owl, we can visualize this function and the optimization trajectory using the
following code:

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let plot () =
  let a, b = Dense.Matrix.D.meshgrid (-4.) 4. (-4.) 4. 50 50 in
  let c = N.(add
    (sub_scalar (add (pow_scalar a 2.) b) 11.)
    (pow_scalar (sub_scalar (add a (pow_scalar b 2.)) 7.) 2.)
  ) in
  let h = Plot.create ~m:1 ~n:2 "plot_himm.pdf" in
  Plot.subplot h 0 0;
  Plot.(mesh ~h ~spec:[ NoMagColor ] a b c);

  Plot.subplot h 0 1;
  Plot.contour ~h a b c;
  let vx = N.get_slice [[]; [0]] !traj in
  let vy = N.get_slice [[]; [1]] !traj in
  Plot.plot ~h vx vy;
  Plot.output h

And the generated figures are shown in Figure 4-1.

Figure 4-1. Optimization process of gradient descent on the multimodal

Himmelblau function

To solve the same problem, we can also use the minimise_fun function introduced in
the previous section. First, we set up the parameters:

let p = Owl_optimise.D.Params.default ()
let _ = p.epochs <- 10.
let _ = p.gradient <- Owl_optimise.D.Gradient.GD;;

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It suffices to simply set the iteration limit epochs to something like 10 or 20 iterations.
Then we set the gradient method to be the classic gradient descent and then execute the
code, starting from the same initial values:

let init_value = N.of_array [|-2.;0.|] [|1;2|] |> pack_arr

let _ = Owl_optimise.D.minimise_fun p himmelblau init_value;;

This function outputs execution logs to track the intermediate results, looking in part
like the following. It shows how the function value, starting from 2926 at the initial point,
is quickly reduced to about 2.5 within only 10 steps using gradient descent. It shows the
efficiency of the gradient descent method in finding optima.

...
10:46:49.805 INFO : T: 00s | E: 1.0/10 | B: 1/10 | L: 2026.000
10:46:49.806 INFO : T: 00s | E: 2.0/10 | B: 2/10 | L: 476.1010
10:46:49.807 INFO : T: 00s | E: 3.0/10 | B: 3/10 | L: 63.83614
10:46:49.807 INFO : T: 00s | E: 4.0/10 | B: 4/10 | L: 37.77679
10:46:49.808 INFO : T: 00s | E: 5.0/10 | B: 5/10 | L: 21.39686
10:46:49.809 INFO : T: 00s | E: 6.0/10 | B: 6/10 | L: 11.74234
10:46:49.809 INFO : T: 00s | E: 7.0/10 | B: 7/10 | L: 6.567733
10:46:49.809 INFO : T: 00s | E: 8.0/10 | B: 8/10 | L: 4.085909
10:46:49.810 INFO : T: 00s | E: 9.0/10 | B: 9/10 | L: 3.016714
10:46:49.810 INFO : T: 00s | E: 10.0/10 | B: 10/10 | L: 2.5943
...

4.4 Regression
In this section, we introduce a broad area that heavily relies on optimization: regression.
Regression is an important topic in statistical modeling and machine learning. It’s about
modeling problems which include one or more variables (also called “features” or
“predictors”) and require us to make predictions of another variable (“output variable”)
based on previous values of the predictors. Regression analysis includes a wide range
of models, from linear regression to isotonic regression, each with different theoretical
backgrounds and applications. In this section, we use the most widely used linear
regression as an example to demonstrate how optimization plays a key part in solving
regression problems.

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L inear Regression
Linear regression models the relationship between input features and the output
variable with a linear model. It is the most widely used regression model. Without loss
of generality, let’s look at an example with a single variable in the model. Such a linear
regression problem can be informally stated as follows. Suppose we have a series of (x, y)
data points:

                ----------------------------
                |x| 5.16 | 7.51 | 6.53 | ...
                ----------------------------
                |y| 0.36 | 5.84 | 16.9 | ...
                ----------------------------

Given that the relationship between these two quantities is y ≈ hθ(x), where
hθ(x) = θ0 + θ1 x, can we find out the θ0 and θ1 values that can fit the observed data points
as closely as possible? This problem can be further formalized later. Denote the list of x’s
and y’s as two vectors x and y. Suppose we have a function C that measures the distances
between x and y: Cθ(x, y). The target is to find suitable parameters θ that minimize the
distance. That’s where optimization comes to help.

L oss
So the next question is: How to represent this distance mathematically? One good choice
is to use the Euclidean distance. That means the target is to minimize function:
1 n
( ( ) )
2
C θ ( x ,y ) = ∑ hθ x (i ) − y (i )
2n i =1
(4.9)

1
Here, x(i) indicates the ith element in the vector x. The factor
is used to normalize
2n
the distance. Other forms of distance can also be applied here. Due to its importance,
this distance is called the loss and abstracted as the Loss submodule in the optimization
module. Its code is shown as follows:

module Loss = struct

    type typ =
      | Hinge
      | L1norm

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      | L2norm
      | Quadratic
      | Cross_entropy
      | Custom        of (t -> t -> t)

let run typ y y' =

...
end

It contains several methods to calculate the distance, or loss, between two values y
and y'. What we have described is the Quadratic method. It also supports the l1 or l2

∑( x ( ) − y ( ) )
2
norm: ∑ x( ) − y( )
i
i i
and
i
i i
. The cross-entropy measures the performance

of a classification model, the output of which is a probability value between 0 and 1. It is

( )
calculated as −∑ x (i ) log y (i ) . The cross-entropy loss is most commonly used in
i

training neural networks, as we will show in Chapter 5.

Implementation of Linear Regression

In the source code of Owl, the owl_regression_generic.ml file lists all several
regression methods, and they are all based on a core linear regression implementation.
This function optimizes parameters w and b in a general regression problem: minimize
lw, b(xTw + b − y). Here, each data point x can be a vector of the same length as T, since
there can be more parameters than that shown in Eq. 4.9. The code is listed as follows:

module Make (Optimise : Owl_optimise_generic_sig.Sig) = struct

  module Optimise = Optimise
  open Optimise
  open Optimise.Algodiff
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let _linear_reg bias params x y =

    let s = A.shape x in
    let l, m = s.(0), s.(1) in
    let n = A.col_num y in
    let o = if bias = true then m + 1 else m in
    let x = if bias = true then A.concatenate
      ~axis:1 [| x; A.ones [| l; 1 |] |] else x in

    let r = 1. /. float_of_int o in
    let p = Arr A.(uniform ~a:(float_to_elt
      (-.r)) ~b:(float_to_elt r) [| o; n |]) in
    ...

end

The regression module is a functor that is parameterized by the Optimise module.

The _linear_reg function takes in the x and y values and the optimization parameters
as input. The argument bias is a boolean flag that indicates if the b parameter should
be trained. This bias is the θ0 parameter we have seen, which does not multiply
with x. If we are to include it in the optimization, the shape of parameters should be
changed accordingly, as shown in the code. Here, p is a randomly generated initial
parameter matrix.

    let f w x =
      let w = Mat.reshape o n w in
      Maths.(x *@ w) in

f is the function to minimize. It represents xw + b using a single matrix

multiplication.

    let w =
      minimise_weight params f (Maths.flatten p) (Arr x) (Arr y)
      |> snd
      |> Mat.reshape o n
      |> unpack_arr
    in
    match bias with

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| true -> A.split ~axis:0 [| m; 1 |] w

| false -> [| w |]

...
end

The core step of this regression function is to apply optimization on the function
f using the given parameters, with proper shape manipulation. If the bias is included
in the optimization target, the returned result is split into two parts, first being w and
second being b.
Note that we have introduced minimise_fun for optimization, but here it uses the
minimise_weight. These two functions are actually very similar in implementation, but
with one key difference. In minimise_fun f x, it keeps calculating gradients with regard
to input x and changes the x accordingly until it reaches a point that minimizes f (x). In
minimise_weight f w x though, it keeps calculating gradients regarding the function’s
own parameter w and changes it accordingly until it reaches a point that minimizes fw(x).
The input data x stays the same in each round of optimization.
Based on this function, the linear regression can be implemented by choosing
suitable optimization parameters:

let ols ?(i = false) x y =

    let params =
      Params.config
        ~batch:Batch.Full
        ~learning_rate:(Learning_Rate.Adagrad 1.)
        ~gradient:Gradient.GD
        ~loss:Loss.Quadratic
        ~verbosity:false
        ~stopping:(Stopping.Const 1e-16)
        100.
    in
    _linear_reg i params x y

In linear regression, we utilize all the input data in one iteration or epoch (Full
batch mode). We use the Adagrad learning method, classic gradient descent, and the
Euclidean distance as the loss function. The optimization lasts 100 iterations until the
loss value is smaller than 1e-16. The Stopping is a helper module in optimise that
accepts a threshold, so that the optimization process can exit early.
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Other Types of Regression

Even though linear regression is powerful and widely used, the linear model cannot fit all
problems. A lot of data follow other patterns than a linear one. For example, sometimes
the relationship between the feature x and the output variable can be modeled as an nth
degree polynomial with regard to feature x:
hθ ( x ) = θ 0 + θ1 x + θ 2 x 2 + θ 3 x 3 … (4.10)

This is called a polynomial regression. Owl provides a function poly in the

Regression module to get the model parameter. The first two parameters are still x and
y, and the third parameter limits the order of the polynomial model. Its implementation
can also be concisely expressed with _linear_reg:

  let poly x y n =
    let z =
      Array.init (n + 1) (fun i -> A.(pow_scalar x
        (float_of_int i |> float_to_elt)))
    in
    let x = A.concatenate ~axis:1 z in
    let params =
      Params.config
        ~batch:Batch.Full
        ~learning_rate:(Learning_Rate.Const 1.)
        ~gradient:Gradient.Newton
        ~loss:Loss.Quadratic
        ~verbosity:false
        ~stopping:(Stopping.Const 1e-16)
        100.
    in
    (_linear_reg false params x y).(0)

The key is to first process the data, so that each data point x can be projected to
a series of new features z, so that zi = xi. Eq. 4.10 then becomes a multivariable linear
regression:
hθ ( z ) = θ 0 + θ1 z1 + θ 2 z2 + θ 3 z3 …

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Another important type of regression is logistic regression, where the data y contain
integers that indicate different classes of data, instead of real numbers. Therefore, it
is most suitable for classification tasks, such as “age group,” “nationality,” etc. Logistic
regression replaces its target optimization function to be

C θ ( x ,y ) =
1 m
∑
m i =1
( ( ) )
g hθ x (i ) ,y (i ) , (4.11)

where m is the total number of data points in input data x and y; the function g is
defined as
− log ( hθ ( x ) ) , if y = 1
g ( hθ ( x ) ,y ) =  (4.12)
− log (1 − hθ ( x ) ) , if y = 0

The logistic gradient can be implemented by using the cross-entropy loss function:

let logistic ?(i = false) x y =

    let params =
      Params.config
        ~batch:Batch.Full
        ~learning_rate:(Learning_Rate.Adagrad 1.)
        ~gradient:Gradient.GD
        ~loss:Loss.Cross_entropy
        ~verbosity:false
        ~stopping:(Stopping.Const 1e-16)
        1000.
    in
    _linear_reg i params x y

R
egularization
There is one thing we need to understand: regression is more than just optimization
after all. Its purpose is to create a model that fits the given data, and all too often, this
model should be used to predict the output of future input. Therefore, if a model fits
the given data too well, it may lose generality for future data. That’s where the idea of
regularization comes in. This technique prevents a model from being tuned too closely
to a particular dataset and thus may fail to predict future observations well.

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Think about the polynomial regression. The regularization technique favors simple
and low-order models. It modifies the optimization target function to penalize high-
order parameters, so that the large parameter values lead to higher cost. Therefore, by
minimizing the target function, we keep the unwanted parameters relatively small. This
can be implemented by adding an extra term at the end of the original target function.
Owl supports multiple types of such regularization terms in the Regularisation
submodule, which also belongs to the Optimiser module. Its core function run is shown
as follows:

let run typ x =

  match typ with
  | L1norm a -> Maths.(_f a * l1norm' x)
  | L2norm a -> Maths.(_f a * l2norm' x)
  | Elastic_net (a, b) ->
    Maths.((_f a * l1norm' x) + (_f b * l2norm' x))
  | None -> _f 0.

The L2norm regularization function adds the L2 norm of θ as the penalty term:
λ ∑ θ2. The L1norm cost function is similar, adding the L1 norm or absolute value of the
parameter as penalty: λ ∑ |θ|. This difference means that L1norm permits coefficients
to be zero, very useful for feature selection. Regressions using these two regularization
techniques are sometimes called Ridge and Lasso regressions. The Elastic_net method
combines the penalties of the previous two:
 1− a 
λ ∑θ 2 + a ∑ θ ,
 2 

where a is a hyperparameter balancing between the former two. This method aims to
make feature selection less dependent on the input data.
We can create a new polynomial regression with regularization by simply changing
the optimization parameter to the following values:

Params.config
  ~batch:Batch.Full
  ~learning_rate:(Learning_Rate.Const 1.)
  ~gradient:Gradient.Newton
  ~loss:Loss.Quadratic

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  ~regularisation:(Regularisation.L2norm 0.5)
  ~verbosity:false
  ~stopping:(Stopping.Const 1e-16)
  100.

4.5 Summary
In this chapter, we introduced optimization and its implementation in Owl. Focusing
on gradient descent, one of the most widely used optimization methods, we introduced
various aspects, such as the gradient method, learning rate, momentum, etc. Together
they provide a powerful and robust implementation. As an important example, we
further introduced regression, a machine learning technique that heavily relies on
optimization. We showed how various regression methods can be built efficiently using
the optimization module.

Deep Neural Networks

There are many articles teaching people how to build intelligent applications using
different frameworks such as TensorFlow, PyTorch, etc. However, except those
very professional research papers, very few articles can give us a comprehensive
understanding on how to develop such frameworks. In this chapter, rather than just
“casting spells,” we focus on explaining how to make the magic work in the first place. We
will dissect the deep neural network module in Owl, then demonstrate how to assemble
different building blocks to build a working framework. Owl’s neural network module is
a full-featured DNN framework. You can define a neural network in a very compact and
elegant way thanks to OCaml’s expressiveness. The DNN applications built on Owl can
achieve state-of-the-art performance.

5.1 Module Architecture
To explain in layman’s terms, you can imagine a neural network as a communication
network where data flow from one node to another node without loops. Nodes are
referred to as neurons. Every time data pass a neuron, it will be processed in different
ways depending on the type of a neuron. The link between neurons represents nonlinear
transformation of the data. Neurons can be wired in various ways to exhibit different
architectures which specialize in different tasks. During the training phase, data can be
fed into a neural network to let it form the knowledge of certain patterns. During the
inference phase, the neural network can apply previously learned knowledge to the
input data.
A DNN framework is built to let us define the network structure and orchestrate its
learning and inference tasks. The framework is a complicated artifact containing lots of
technologies. However, from the high-level system perspective, there is only a limited
amount of core functions which a framework must implement. Let us take a look at the
key functionalities required by Owl’s neural network module:

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L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_5
Chapter 5 Deep Neural Networks

• The neuron module defines the functionality of a specific type of

neuron. Even though a deep neural network can be directly and
equivalently expressed in a computation graph, the graph is often
very complicated. The definition is difficult to manually construct
and hard to maintain. Using high-level neurons which are packaged
with complicated internal processing logic can significantly simplify
the network definition.

• The network module allows us to define the graph structure of a

neural network and provides a set of functions to manipulate the
network and orchestrate the training and inference. This module is
often the entry point to the system for the majority of users.

• The optimization module is the driver of training a neural network.

The module allows us to configure and orchestrate the process of
training, as well as control how data should be fed into the system.
We have introduced this module in Chapter 4.

• The algorithmic differentiation module is the underlying

technology for optimization. The module provides powerful
machinery to automatically calculate derivatives for any given
functions, so that other modules can make use of these derivatives
for various optimization purposes. We have introduced this module
in detail in Chapter 3.

• The neural network compiler module optimizes the performance of

a neural network by optimizing its underlying computation graphs.
The module relies heavily on Owl’s computation graph module,
which we will introduce in Chapter 6.

In the rest of this chapter, we will examine internal mechanisms of these modules.
The optimization and algorithmic differentiation modules are not DNN specific, we will
skip them for now; their implementations have been covered in detail in the previous
chapters.

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5.2 Neurons
Neurons are implemented as modules. Each type of neuron corresponds to a specific
module. These modules share many common functions such as mktag, mkpar, update,
etc., but their implementation might slightly differ. Every neuron has its own neuron_typ
which specifies the shape of the neuron’s input and output.

module Linear : sig

  type neuron_typ =
    { mutable w : t
    ; mutable b : t
    ; mutable init_typ : Init.typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

val create : ?inputs:int -> int -> Init.typ -> neuron_typ

  val connect : int array -> neuron_typ -> unit
  val init : neuron_typ -> unit
  val reset : neuron_typ -> unit
  val mktag : int -> neuron_typ -> unit
  val mkpar : neuron_typ -> t array
  val mkpri : neuron_typ -> t array
  val mkadj : neuron_typ -> t array
  val update : neuron_typ -> t array -> unit
  val copy : neuron_typ -> neuron_typ
  val run : t -> neuron_typ -> t
  val to_string : neuron_typ -> string
  val to_name : unit -> string
end

The neuron_typ also includes all the parameters associated with this neuron.
For example, the preceding code presents the signature of the Linear neuron which
performs wx + b for input x. As you can see, fields x and b are used for storing the weight
and bias of this linear function.

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Core Functions
The record type neuron_typ is created by calling the create function when constructing
the network.

let create ?inputs o init_typ =

  let in_shape =
    match inputs with
    | Some i -> [| i |]
    | None   -> [| 0 |]
  in
  { w = Mat.empty 0 0
  ; b = Mat.empty 0 0
  ; init_typ
  ; in_shape
  ; out_shape = [| o |]
  }

The parameters are created, but their values need to be initialized in the init
function. The bias parameter is set to zero, while the initialization of weight depends on
init_typ.

let init l =
  let m = l.in_shape.(0) in
  let n = l.out_shape.(0) in
  l.w <- Init.run l.init_typ [| m; n |] l.w;
  l.b <- Mat.zeros 1 n

How the weights are initialized matters a lot in the training. If weights are not
initialized properly, it takes much longer to train the network. In the worse case, the
training may fail to converge. The Init module provides various ways to initialize
weights, specified by different type constructors. Some initialization methods require
extra parameters. For example, if we want to randomize the weight with Gaussian
distribution, we need to specify the mean and variance. As discussed by X. Glorot in [24],
the initialization method has a nontrivial impact on model training performance. Besides
those supported here, users can also use Custom to implement their own initialization
methods.

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module Init = struct

When a neuron is added to the network, the connect function is called to validate
that the input shape is consistent with the output shape.

let connect out_shape l =

assert (Array.(length out_shape = length l.in_shape));
l.in_shape.(0) <- out_shape.(0)

The following functions are used to retrieve the parameters and their corresponding
primal and adjoint values. These functions are mainly used in the training phase. When
the parameters need to be updated during the training, the optimization engine can call
the update function to do the job.

let mkpar l = [| l.w; l.b |]

let mkpri l = [| primal l.w; primal l.b |]

let mkadj l = [| adjval l.w; adjval l.b |]

let update l u =
l.w <- u.(0) |> primal';
l.b <- u.(1) |> primal'

The run function is the most important one in the module. This function defines how
the input data should be processed and is called by the network during the evaluation.
Let us look at the run function of the linear neuron. The function is so simple and
contains only one line of code which calculates exactly wx + b.

let run x l = Maths.((x *@ l.w) + l.b)

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Most neurons’ run functions are just a one-liner; the simplicity is because Owl has
implemented a very comprehensive set of numerical functions.

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Figure 5-1. Illustration of a linear layer and an activation layer in a

neural network

Activation Module
One reason we can pile up even just linear neurons to construct a deep neural network
is its property of nonlinearity, which is introduced by activation neurons. Nonlinearity is
a useful property in our models as most real-world data demonstrate nonlinear features.
Without nonlinearity, all the linear neurons can be reduced to just one matrix. Activation
functions are aggregated in one module called Activation. Similar to other neuron
modules, the Activation also has neuron_typ and many similar functions.

module Activation = struct

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Chapter 5 Deep Neural Networks

  type neuron_typ =
    { mutable activation : typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }
  ...
end

Currently, there are 12 activation functions implemented in the module. We

need to choose a proper activation function for the output layers based on the type of
prediction problem that is to be solved. For example, ReLU is the most commonly used
for hidden layers. To visualize what we have introduced so far, Figure 5-1 illustrates a
linear layer and an activation layer, one common combination in many neural network
architectures.

5.3 Networks
Essentially, a neural network is a computation graph. Nodes represent neurons which
aggregate more complicated data processing logic than nodes in a vanilla computation
graph. The following code presents the type definition of the node. A node can have
a name for reference. The prev and next fields are used for linking to ancestors
and descendants, respectively. The output field is used to store the output of the
computation.
The node per se does not contain any data processing logic. Rather, the node
refers to the neuron which implements actual numerical operations on the data. The
motivation of this design is to separate the mechanism of a network and the logic of
neurons. The network field refers to the network that the current node belongs to. Note
that the network structure is not necessarily the same in training and inference phases.
Some nodes may be dropped during the inference phase, such as dropout. The train
field is used for specifying whether a node is only for training purposes.

type node =
  { mutable name : string
  ; mutable prev : node array
  ; mutable next : node array
  ; mutable neuron : neuron

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Chapter 5 Deep Neural Networks

; mutable output : t option

  ; mutable network : network
  ; mutable train : bool
  }

A network can be constructed by wiring up nodes. Looking at the type definition,

we can see that a neural network can be identified by a unique id nnid. The size field is
used to track the number of nodes in a network. The roots field refers to the data inputs,
while the outputs refers to the outputs of a network. The topo is a list of all nodes sorted
in topological order; it can be used for iterating nodes when evaluating the network.

and network =
  { mutable nnid : string
  ; mutable size : int
  ; mutable roots : node array
  ; mutable outputs : node array
  ; mutable topo : node array
  }

As we can see, these type definitions are similar to computation graphs. Even though
they contain some specific neural network–related fields, the type definitions are not
more complicated than a general-purpose computation graph.
To build up networks, most of the time we use functions that build a node and
connect it to an existing node stack. For example:

let conv2d ?name ?(padding = SAME) ?(init_typ = Init.Tanh)

      ?act_typ kernel stride input_node =
    let neuron = Conv2D (Conv2D.create padding kernel stride init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

This function first creates a Conv2D neuron with various parameters and wraps it into
a node using the make_node function. Then we connect n to its parent nodes using the
add_node function. This step uses the connect function of the neuron and also updates
the child’s input and output shape during connection. With the network graph APIs, we
can write concise code to build up a network, such as

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open Owl
open Neural.S
open Neural.S.Graph

let make_network input_shape =

  input input_shape
  |> conv2d [|1;1;1;6|] [|1;1|] ~act_typ:Activation.Relu
  |> max_pool2d [|2;2|] [|2;2|]
  |> conv2d [|5;5;6;16|] [|1;1|] ~act_typ:Activation.Relu
  |> max_pool2d [|2;2|] [|2;2|]
  |> fully_connected 120 ~act_typ:Activation.Relu
  |> linear 84  ~act_typ:Activation.Relu
  |> linear 10 ~act_typ:Activation.(Softmax 1)
  |> get_network

Figure 5-2. Structure of a basic neural network

The network definition always starts with an input layer and ends with the get_
network function which finalizes and returns the constructed network. We can also see
the shape of the data, and the parameters will be inferred later as long as the input_
shape is determined. We only need to provide the data shape in the input node, and the
network can automatically infer the shape in the other nodes.
We have already covered most elements to build up a neural network. For example,
Figure 5-2 shows the structure of a basic LeNet-like neural network, combining the
convolution layer, pooling layer, linear layer, activation layer, etc. This network is simple
yet powerful, perfectly capable of performing the handwritten digit recognition task
accurately. But to do that, the network should first be trained.

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5.4 Training
Training is a complicated, time-consuming, and computation-intensive process. There
are many parameters to configure different components in a neural network framework
to control the process. The following functor definition can give us a good understanding
about what needs to be configured. Fortunately, the Optimise module does all the
heavy-lifting job; it implements several engines for different optimization tasks.

module Flatten (Graph : Owl_neural_graph_sig.Sig) = struct

  module Graph = Graph
  ...
  module Params = Graph.Neuron.Optimise.Params
  module Batch = Graph.Neuron.Optimise.Batch
  module Learning_Rate = Graph.Neuron.Optimise.Learning_Rate
  module Loss = Graph.Neuron.Optimise.Loss
  module Gradient = Graph.Neuron.Optimise.Gradient
  module Momentum = Graph.Neuron.Optimise.Momentum
  module Regularisation = Graph.Neuron.Optimise.Regularisation
  module Clipping = Graph.Neuron.Optimise.Clipping
  module Stopping = Graph.Neuron.Optimise.Stopping
  module Checkpoint = Graph.Neuron.Optimise.Checkpoint
end

We have already introduced these optimization modules in Chapter 4. The main

logic of training is encoded in the train_generic function. In addition to the network to
be trained nn, inputs x, and labeled data y, the function also accepts optional parameters
like state if we want to resume previous training.

let train_generic ?state ?params ?(init_model = true) nn x y =

  if init_model = true then init nn;
  let f = forward nn in
  let b = backward nn in
  let u = update nn in
  let s = save nn in

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  let p =
    match params with
    | Some p -> p
    | None   -> Optimise.Params.default ()
  in
  Optimise.minimise_network ?state p f b u s x y

We need to specify four important functions: the function for forward evaluation,
the function for backward propagation, the function for updating the weights, and
the function for saving the network. These four functions are passed as parameters to
the minimise_network function which is the engine specifically for optimizing neural
networks as a function. We have introduced minimise_fun in Chapter 4 and used it to
find an optimal x∗ to minimize f (x). The minimise_network function works similarly and
is also implemented similarly, with the exception of one subtle difference. Instead of
input x, this function aims to find optimal θ∗ to minimize fθ(x) for a given input x. In the
case of optimizing a neural network, θ indicates the weight parameters.

Forward and Backward Pass

Evaluating a neural network can be done in two directions. The direction from inputs
to outputs is referred to as forward pass, while the opposite direction from outputs to
inputs is backward pass. The inference only requires a forward pass, but the training
requires both a forward and a backward pass in many iterations. The forward function
has only two steps. The first call to mktag is a necessary step required by the algorithmic
differentiation, so that we can use AD to calculate derivatives in the following backward
pass. For inference, this step is not necessary. The run function pushes the data x into
network nn and iterates through all the neurons’ calculations. mkpar nn returns all the
parameters of the network, for example, weights.

let forward nn x =
mktag (tag ()) nn;
run x nn, mkpar nn

The core logic of the run function is iterating all the neurons in a topological order.
For each neuron, the inputs are collected from its ancestors’ outputs first, then the
neuron’s activation function is triggered to process the inputs. The neuron’s output

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is saved in its hosting node. Finally, the output of the whole network is collected and
returned.

let run x nn =
  Array.iter
    (fun n ->
      (* collect the inputs from parents' output *)
      let input =
        match n.neuron with
        | Input _ -> [| x |]
        | _       -> collect_output n.prev
      in
      (* process the current neuron, save output *)
      let output = run input n.neuron in
      n.output <- Some output)
    nn.topo;
  (* collect the final output from the tail *)
  let sink = [| nn.topo.(Array.length nn.topo - 1) |] in
  (collect_output sink).(0)

A backward pass is much more complicated than a forward pass, even though the
code in the backward function looks as simple as the forward. The actual complexity is
hidden in the reverse_prop which is the core function in the AD module. The purpose
of the backward pass is to propagate the errors backward from the output to inputs. By
doing so, the neurons along the path can utilize this error information to adjust their
parameters and hopefully minimize the future errors as well.
Derivatives can also be calculated in the forward pass, for example, using dual
numbers, why do we use backward propagation in the implementation? The reason is
that a typical neural network has much more input parameters than output parameters.
Backward propagation requires much less computation in this scenario.

let backward nn y =
reverse_prop (_f 1.) y;
mkpri nn, mkadj nn

Here, mkpri and mkadj return the primal and adjoint values of all the parameters.

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5.5 Neural Network Compiler

If we consider a neural network as a complicated function, then training this neural
network is an iterative process of optimizing the function. In every iteration, the
optimization engine first runs the forward pass of the function, then calls an algorithmic
differentiation module to obtain the derivative function, and finally runs the backward
pass to update the weight. As we can see, there are two computation graphs created
dynamically in each iteration, one for the forward pass and the other for the backward
pass. In fact, given a fixed neural network, the structure of both computation graphs is
identical. This observation serves as the basis of further optimizing the training process.
The optimization consists of three parts:

• We dry run the neural network to derive the computation graphs for
both forward and backward pass. We reuse these computation graphs
in the following iterative process rather than regenerating them.

• We optimize the graph structure to optimize both computation

performance and memory usage.

• We replace eager evaluation with lazy evaluation when evaluating a

computation graph, which can further optimize the performance.

The Owl_neural_compiler functor is designed to automate these steps. Compared

to directly using an optimization engine, the neural network compiled by Owl_neural_
compiler can be trained much faster with much less memory footprint. Let us create a
VGG-like convolution neural network to illustrate. The VGG neural network is for image
classification tasks, for example, using the CIFAR10 dataset. The network structure is
defined by the following code:

let make_network input_shape =

  input input_shape
  |> normalisation ~decay:0.9
  |> conv2d [|3;3;3;32|] [|1;1|] ~act_typ:Activation.Relu
  |> conv2d [|3;3;32;32|] [|1;1|] ~act_typ:Activation.Relu ~padding:VALID
  |> max_pool2d [|2;2|] [|2;2|] ~padding:VALID
  |> dropout 0.1
  |> conv2d [|3;3;32;64|] [|1;1|] ~act_typ:Activation.Relu
  |> conv2d [|3;3;64;64|] [|1;1|] ~act_typ:Activation.Relu ~padding:VALID
  |> max_pool2d [|2;2|] [|2;2|] ~padding:VALID
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|> dropout 0.1

  |> fully_connected 512 ~act_typ:Activation.Relu
  |> linear 10 ~act_typ:Activation.(Softmax 1)
  |> get_network

The following function first creates the network, then configures the training process,
and finally trains the network by calling Graph.train. In fact, the Graph.train function
calls the train_generic function we just introduced in the previous section. The
train_generic directly passes the neural network along with the configurations to the
optimization engine to kick off the optimizing process.

let train () =
  let x, _, y = Dataset.load_cifar_train_data 1 in
  let network = make_network [|32;32;3|] in
  Graph.print network;
  let params = Params.config
    ~batch:(Batch.Mini 100) ~learning_rate:(Learning_Rate.Adagrad 0.005)
    ~checkpoint:(Checkpoint.Epoch 1.) ~stopping:(Stopping.Const 1e-6) 10.
  in
  Graph.train ~params network x y

However, from a programmer’s perspective, if we use the neural compiler, the only
thing that needs to be changed is the train function. The network definition remains
exactly the same.

let train network =

  let x, _, y = Dataset.load_cifar_train_data 1 in
  let x = CGCompiler.Engine.pack_arr x |> Algodiff.pack_arr in
  let y = CGCompiler.Engine.pack_arr y |> Algodiff.pack_arr in
  let params = Params.config
    ~batch:(Batch.Mini 100) ~learning_rate:(Learning_Rate.Adagrad
0.005) 10.
  in
  CGCompiler.train ~params network x y

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Except for the mundane packing and unpacking parameters, the most noticeable
change is that we are now using CGCompiler.train to train a network. C GCompiler.
train is implemented in the neural compiler function. So what is contained in this
function? Let us have a look at its implementation.

let train ?state ?params network x y =

  let params =
    match params with
    | Some p -> p
    | None   -> Params.default ()
  in
  let network_name = Graph.get_network_name network in
  Owl_log.info "compile network %s into static graph ..." network_name;

(* compile network into static graph *)

  let x_size = (unpack_arr x |> Engine.shape).(0) in
  let loss, xt, yt, cgraph = compile_deep params network x_size in
  let eval = make_eval_fun loss xt yt cgraph in
  let update = make_update_fun cgraph in
  let save _fname = () in

(* Optimise graph structure *)

  Engine.save_graph cgraph (network_name ^ "_raw.cgd");
  Engine.optimise cgraph;
  Engine.save_graph cgraph (network_name ^ "_opt.cgd");

Owl_log.info "start training %s ..." network_name;

Optimise.minimise_compiled_network ?state params eval update save x y

Compared to the train_generic function, CGCompiler.train seems more

complicated, but the logic is straightforward. The implementation consists of three steps.
First, the function retrieves the training parameters and creates default values if they are
not provided. Second, the neural network is compiled into a static graph. Two higher-
order functions, that is, eval and update, are created to evaluate computation graphs
and update the network weights. Third, the graph structure is optimized by using the
functions defined in the computation graph module. Fourth, the optimization engine
starts the iterative process to minimize the loss function.

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The core of CGCompiler.train is the compile_deep, which is where the magic

happens. However, compile _deep is a rather lengthy and complicated function. Instead
of studying compile_deep as a whole function, let us divide it into many smaller parts
and examine them separately:

let loss_fun = Loss.run params.loss in

let grad_fun = Gradient.run params.gradient in
let rate_fun = Learning_Rate.run params.learning_rate in
let regl_fun = Regularisation.run params.regularisation in
let momt_fun = Momentum.run params.momentum in
let upch_fun = Learning_Rate.update_ch params.learning_rate in
let clip_fun = Clipping.run params.clipping in
...

The first part is simply creating some higher-order functions from the network
configuration. The purpose is to simplify the following code:

Because compile_simple needs to dry run the network, it needs to know the shape
of the input. The input shape depends on how the training is configured. For a small
dataset, we can input the whole dataset in each iteration, so the shape will be full size.
For a larger dataset, we might want to use different logic to select a batch of data as input,
even just one sample per iteration. We can calculate the size from the params.batch
parameter.

(* initialise the network weight *)

Graph.init network;
Graph.mkpar network

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|> Owl_utils.aarr_map (fun v ->

       let v = Algodiff.unpack_arr v in
       Engine.eval_arr [| v |];
       let u = Engine.var_arr "" ~shape:(Engine.shape v) in
       Engine.(assign_arr u (unpack_arr v));
       Algodiff.pack_arr u)
  |> Graph.update network;
...

Then the neural network is initialized, and the weights are updated. After this step,
all the preparation work for a dry run is done.

(* derive the computation graph in forward mode *)

let x = Engine.var_arr "x" ~shape:input_shape |> pack_arr in
let y' = Graph.forward network x |> fst in
let output_shape = unpack_arr y' |> Engine.shape in
let y = Engine.var_arr "y" ~shape:output_shape |> pack_arr in
let loss = loss_fun y y' in
let loss = Maths.(loss / _f (Mat.row_num y |> float_of_int)) in
...

The most critical step is to derive the computation graph of the backward pass.
Before we can do that, we need to first run the forward pass. The outcome of the forward
pass y and ground truth y’ is fed into the loss function loss_fun which contains the
computation graph of the forward pass.

let ws = Owl_utils_array.flatten (Graph.mkpri network) in

let reg =
  match params.regularisation <> Regularisation.None with
  | true  -> Array.fold_left
    (fun a w -> Maths.(a + regl_fun w)) (_f 0.) ws
  | false -> _f 0.
in
let loss = Maths.(loss + reg) in
(* assign loss variable name *)
Owl_graph.set_name (unpack_elt loss |> Engine.elt_to_node) "loss";
...

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Then we further adjust the loss value by adding the regularization term if necessary
and assign it with a proper name.

(* derive the computation graph in reverse mode *)

let z = Graph.(backward network loss) in
let ws = Owl_utils_array.flatten (fst z) in
let gs' = Owl_utils_array.flatten (snd z) in
...

The Graph.backward function created the computation graph of the backward pass,
contained in z. The computation graph is also the derivative of the loss function of the
network. We also separate out both weights ws and their adjacent value gs’ from z. After
this step, there is a very lengthy code to further calculate and adjust the gradient with
clipping, momentum, etc.

(* construct a computation graph with inputs and outputs *)

let network_name = Graph.get_network_name network in
...
let output = Array.append param_o
[| unpack_elt loss |> Engine.elt_to_node |] in
let cgraph = Engine.make_graph
~input:param_i ~output network_name in
...
loss, x, y, cgraph

The final computation graph is returned along with the loss function, input,
and output.

5.6 Case Study: Object Detection

As a case study to demonstrate how we apply the Neural module in Owl in real-world
applications, in this final section we show how to perform instance segmentation
using the Mask R-CNN network. It provides both a complex network structure and an
interesting application. Object detection is one of the most common DNN tasks, which
takes an image of a certain object as input and infers what object this is. However, a
neural network can easily get confused if it is applied on an image with multiple objects.
For that purpose, object detection is another classical computer vision task. Given an

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image that contains multiple objects, it seeks to classify individual objects and localizes
each one using a bounding box. Similarly, the semantic segmentation task requires
classifying the pixels in an image into different categories. Each segment is recognized
by a “mask” that covers the whole object. All possible objects are shown using different
masks, but it does not categorize what those objects are. The Mask R-CNN (Mask Region-
based Convolutional Neural Network) architecture was proposed in 2017 to address
all the previous problems. With sufficient training, it can solve these problems at once:
detecting objects in an image, labeling each of them, and providing a binary mask for
the image to determine which pixels belong to which objects. This task is called instance
segmentation.

Figure 5-3. Example of image segmentation: Oxford street view

As a preliminary example and for visual motivation, Figure 5-3 shows what this
network generates. In this example, a normal street view picture is processed by the
pretrained Mask R-CNN (MRCNN) network, and the objects (people, sheep, bag,
car, bus, etc.) are segmented from the input figure and recognized with probability
represented by a number between zero and one. Image segmentation has many
important applications, including medical imaging (locating tumors, detecting cancer
cells, etc.), traffic control systems, locating objects in satellite images, etc. In the rest of
this section, we will explain how this complex network can be built in OCaml using the
Neural module. The full code is provided in the GitHub repository.

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Object Detection Network Architectures

To present some background knowledge, before explaining the details of Mask R-CNN,
we briefly introduce how deep network architectures for object detection and instance
segmentation are developed.

R-CNN Architecture
The idea of using a CNN to enhance the object detection task was first proposed in [23].
This paper proposes a “Regions with CNN features” (R-CNN) object detection system.
It is divided into several phases. The first phase is to localize possible objects of interest
in an input image. Instead of using a sliding window, R-CNN uses a different approach
called “regions”: for each input image, it first generates a number of (e.g., 2000) region
proposals that are independent of the object categories used. They are rectangle regions
of the image, of different aspects and sizes. The content in each region is then checked to
see if it contains any object of interest. Each region proposal is then processed by a CNN
to get a 4096-dimension feature vector. This CNN takes an input of fixed size 227 × 227,
and thus each region, regardless of its shape, is morphed into this fixed size before being
processed by CNN. As to the output feature vector, it is processed by a trained SVM
model to be classified into the accepted results.

Fast R-CNN Architecture

Compared to the previous state of the art, R-CNN improves the mean average precision
by more than 30%. However, it has several problems. For one, the R-CNN pipeline
consists of several parts, and so training takes multiple stages, including the training of
the CNN, the SVM models, etc. Moreover, training is expensive in both space and time.
Besides, since the CNN inference pass needs to be performed on all region proposals,
the whole object detection process is slow.
To mitigate these challenges, the Fast R-CNN approach was proposed by Girshick
et al. Similar to R-CNN, the region proposals are first generated based on the input
images. But to reduce training costs, the Fast R-CNN consists of one CNN network that
can be trained in a single stage. Furthermore, it does not need to perform a forward pass
on each region proposal. Instead, it first computes a convolutional feature map for the
whole input image and then projects the region of interest (RoI) from the input image
to this feature map, deciding which part of it should be extracted. Such a region on the

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feature map is pooled by a “RoI pooling” layer into a smaller feature map of fixed size,
which is then turned into a feature vector by several fully connected layers.
Next, the feature vectors are fed into a branch. One output of this branch contains
the classification, and the confidence of that classification, of the object in that region.
The other specifies the rectangle location of the object, encoded by four real-valued
numbers. The output on this branch contains such four-number tuple for all of the
object categories in this task. Compared to R-CNN, this method does not require a lot
of space for feature caching, and it proves to be about 9 times faster in training and 213
times faster in inference.

Faster R-CNN Architecture

However, the Fast R-CNN is also not perfect. Region proposals are first generated based
on the input image, and object detection is performed using both the convolutional
feature map and the region proposal. Note that the feature map, which abstractly
represents features in the input image, may already contain sufficient information to
perform not just object detection but also to find regions where the objects may be. That
important observation leads to the development of the Faster R-CNN method.
This approach is developed based on the Fast R-CNN network. It introduces a new
network structure: the Region Proposal Network (RPN). This extra network operates
on the feature maps that are generated by the CNN in Fast R-CNN, generating region
proposals that are passed to the RoI pooling step for successive detections. The RPN uses
a sliding window over the feature map. At each sliding window location, nine different
proposals that are centered around this location are checked to see their coordinates
(represented by four real-valued numbers) and the probability that an object exists in
the given region. Each such proposal is called an anchor. In Faster R-CNN, the authors
trained the RPN and used the generated proposals to train Fast R-CNN; the trained
network is then used to initialize RPN, so on and so forth. Thus, these two parts are
trained iteratively, and so there is no need to use external methods to produce region
proposals. Everything is performed in a unified network for the object detection task.

Mask R-CNN Architecture

Based on this existing work, the Mask R-CNN was proposed to perform the task of both
object detection and semantic segmentation. It keeps the architecture of Faster R-CNN,
adding only one extra branch in the final stage of the RoI feature layer. Where previously
outputs included object classification and location, now a third branch contains
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information about the mask of the detected object in the RoI. Therefore, the Mask
R-CNN can retrieve the rectangle bound, classification results, classification possibility,
and the mask of that object, for any RoI, in a single pass. In the next section, we will
introduce the Mask R-CNN architecture in detail.

Implementation of Mask R-CNN

This section outlines the main parts of the architecture of Mask R-CNN, explaining
how it differs from its predecessors. For a more detailed explanation, please refer to the
original paper [27]. The OCaml implementation of the inference model is available in the
code repository.1

Building Mask R-CNN

After a quick introduction to the MRCNN and its development, let’s look at the code to
understand how it is constructed:

open Owl

module N = Dense.Ndarray.S

open CGraph
open Graph
open AD

module RPN = RegionProposalNetwork

module PL = ProposalLayer
module FPN = FeaturePyramidNetwork
module DL = DetectionLayer
module C = Configuration

let image_shape = C.get_image_shape () in

let inps = inputs
~names:[|"input_image"; "input_image_meta"; "input_anchors"|]
[|image_shape; [|C.image_meta_size|]; [|num_anchors; 4|]|] in

1
https://github.com/pvdhove/owl-mask-rcnn. Work in this chapter was conducted by Pierre
Vandenhove during his internship in the OCaml Labs group at the University of Cambridge
Computer Laboratory. The code was ported from the Keras/TensorFlow implementation.

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let input_image = inps.(0)

and input_image_meta = inps.(1)
and input_anchors = inps.(2) i

The network accepts three inputs, each representing images, metadata, and the
number of anchors (the rectangular regions). The Configuration module contains a list
of constants that will be used in building the network.

Feature Extractor
The picture is first fed to a convolutional neural network to extract features of the image.
The first few layers detect low-level features of an image, such as edges and basic shapes.
As you go deeper into the network, these simply features are assembled into higher-
level features such as “people” and “cars.” Five of these layers (called “feature maps”)
of various sizes, both high and low levels, are then passed on to the next parts. This
implementation uses Microsoft’s ResNet101 network as a feature extractor.

let tdps = C.top_down_pyramid_size in

let str = [|1; 1|] in
let p5 = conv2d [|1; 1; 2048; tdps|] str
~padding:VALID ~name:"fpn_c5p5" c5 in

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let conv_args = [|3; 3; tdps; tdps|] in

let p2= conv2d conv_args str ~padding:SAME ~name:"fpn_p2" p2 in
let p3= conv2d conv_args str ~padding:SAME ~name:"fpn_p3" p3 in
let p4= conv2d conv_args str ~padding:SAME ~name:"fpn_p4" p4 in
let p5= conv2d conv_args str ~padding:SAME ~name:"fpn_p5" p5 in
let p6= max_pool2d [|1; 1|] [|2; 2|]
~padding:VALID ~name:"fpn_p6" p5 in

let rpn_feature_maps = [|p2; p3; p4; p5; p6|] in

let mrcnn_feature_maps = [|p2; p3; p4; p5|]

The features are extracted by combining both ResNet101 and the Feature Pyramid
Network. ResNet extracts features of the image (early layers extract low-level features;
later layers extract high-level features). The Feature Pyramid Network creates a second
pyramid of feature maps from top to bottom so that every map has access to high-
and low-level features. This combination achieves excellent gains in both accuracy
and speed.

Proposal Generation
To try to locate the objects, about 250,000 overlapping rectangular regions or anchors are
generated.

let nb_ratios = Array.length C.rpn_anchor_ratios in

let rpns = Array.init 5 (fun i ->
  RPN.rpn_graph rpn_feature_maps. (i)
  nb_ratios C.rpn_anchor_stride
  ("_p" ^ string_of_int (i + 2))) in
let rpn_class = concatenate 1 ~name:"rpn_class"
                (Array.init 5 (fun i -> rpns. (i).(0))) in
let rpn_bbox = concatenate 1 ~name:"rpn_bbox"
                (Array.init 5 (fun i -> rpns. (i).(1)))

Single RPN graphs are applied on different features in rpn_features_maps, and the
results from these networks are concatenated. For each bounding box on the image,
the RPN returns the likelihood that it contains an object, called its objectness, and a
refinement for the anchor; both are represented by rank 3 ndarrays.

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Next, in the proposal layer, the 1000 best anchors are selected according to their
objectness. Anchors that overlap too much with each other are eliminated, to avoid
detecting the same object multiple times. Each selected anchor is also refined in case it
was not perfectly centered around the object.

let rpn_rois =
    let prop_f = PL.proposal_layer
      C.post_nms_rois C.rpn_nms_threshold in
    MrcnnUtil.delay_lambda_array [|C.post_nms_rois; 4|]
      prop_f ~name:"ROI"
      [|rpn_class; rpn_bbox; input_anchors|] in

In rpn_rois, the proposal layer picks the top anchors from the RPN output, based on
nonmaximum suppression and anchor scores.

Classification
All anchor proposals from the previous layer are resized to a given fixed size and fed
into a ten-layer neural network. The network assigns each of them the probability that
it belongs to each class. The network is pretrained on fixed classes; changing the set of
classes requires retraining the whole network. Note that this step does not take as much
time for each anchor as a full-fledged image classifier such as Inception, since it reuses the
precomputed feature maps from the Feature Pyramid Network. Therefore, there is no need
to go back to the original picture. The class with the highest probability is chosen for each
proposal, and thanks to the class predictions, the anchor proposals are even more refined.
Proposals classified in the background class are deleted. Eventually, only the proposals
with an objectness over some threshold are kept, and we have our final detections, each
with a bounding box and a label. This process can be described by the following code:

let mrcnn_class, mrcnn_bbox =

FPN.fpn_classifier_graph rpn_rois
mrcnn_feature_maps input_image_meta
C.pool_size C.num_classes C.fpn_classif_fc_layers_size in

let detections = MrcnnUtil.delay_lambda_array

  [|C.detection_max_instances; 6|]
  (DL.detection_layer ()) ~name:"mrcnn_detection"
  [|rpn_rois; mrcnn_class; mrcnn_bbox; input_image_meta|] in

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let detection_boxes = lambda_array

  [|C.detection_max_instances; 4|]
  (fun t -> Maths.get_slice [[]; []; [0;3]] t.(0))
  [|detections|]

A Feature Pyramid Network classifier associates a class to each proposal and further
refines the bounding box for that class. The only thing left to do then is to generate a
binary mask for each object. This is handled by a small convolutional neural network
which produces a small square of values between 0 and 1 for each detected bounding
box. This square is resized to the original size of the bounding box with bilinear
interpolation, and pixels with a value over 0.5 are tagged as being part of the object.

let mrcnn_mask = FPN.build_fpn_mask_graph

detection_boxes mrcnn_feature_maps
input_image_meta C.mask_pool_size C.num_classes

Finally, the output contains detection results and masks from the previous steps.

outputs ~name:C.name [|detections; mrcnn_mask|]

After getting to know the internals of the MRCNN architecture, we can now run the
code to see it work. The core code is listed as follows:

open Mrcnn

let src = "image.png" in

let fun_detect = Model.detect () in
let Model.({rois; class_ids; scores; masks}) = fun_detect src in
let img_arr = Image.img_to_ndarray src in
let filename = Filename.basename src in
let format = Images.guess_format src in
let out_loc = out ^ filename in
Visualise.display_masks img_arr rois masks class_ids;
let camlimg = Image.img_of_ndarray img_arr in
Visualise.display_labels camlimg rois class_ids scores;
Image.save out_loc format camlimg;
Visualise.print_results class_ids rois scores

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A key step is to apply the Model.detect function on the input images, returning
the regions of interest, the classification result ID of the object in each region, the
classification certainty scores, and a mask that shows the outline of that object in the
region. With this information, the Visualise module runs for three passes on the
original image: the first for adding bounding boxes and object masks, the second for
adding the numbers close to the bounding box, and finally for printing out the resulting
images from the previous two steps. In this example, the pretrained weights on 80 classes
of common objects are provided, which have been converted from the TensorFlow
implementation mentioned earlier. As to the execution speed, processing one image
with a size of 1024 × 1024 pixels takes between 10 and 15 seconds on a moderate laptop.

5.7 Summary
In this chapter, we provided an insight into the neural network module in Owl.
Benefiting from solid implementation of algorithmic differentiation and optimization,
the Neural module is concise and expressive. We explained the neurons and network
components in this module and then showed how network training is done in Owl. This
chapter also covered how we implement a neural network compiler to automatically
optimize the network structure and memory usage. Finally, we introduced in detail
a DNN application, instance segmentation, that drives the development of the
computation graph module in Owl.

Computation Graph
A computation graph is a basic theoretical tool that underlies modern deep learning
libraries. It is also an important component in Owl. This chapter first gives a bird’s-
eye view on the computation graph in Owl and its importance in computing. We then
demonstrate how to use it in Owl with some examples. Then we will continue to cover
the design and implementation details of the computation graph module and how it is
fitted into Owl’s functor stack.

6.1 The Definition of Computation Graph

As a functional programmer, it is basic knowledge that a function takes an input and
then produces an output. The input of a function can be the output of another function
which then creates dependency. If we view a function as one node in a graph, and its
input and output as incoming and outgoing links to other functions, respectively, as the
computation continues, these functions are chained together to form a directed acyclic
graph (DAG). Such a DAG is often referred to as a computation graph.

Figure 6-1. Computation graph of a simple function: sin(x*y)

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© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_6
Chapter 6 Computation Graph

Figure 6-1 shows an example graph for calculating function sin (x * y).1 The
computation graph contains several pieces of information which are essential for
debugging the applications. These information include the node index, operation type,
reference counter, shapes of data, etc. For example, in Figure 6-1 the row vector y of
shape [1; 4] is broadcast on the matrix x of shape [8; 4] in the Mul operation.

Dynamic Graph and Static Graph

The computation graph can be either implicitly constructed or explicitly declared in the
code. Implicit graph construction is often achieved by operator overloading and a graph
is constructed during the runtime, while explicit declaration may use domain-specific
languages (DSL) to construct a graph during the compilation phase with a fix structure.
The two methods lead to two different kinds of computation graphs: dynamic graph and
static graph; each has its own pros and cons.
A dynamic graph is constructed during the runtime. Due to operator overloading,
its construction can be naturally blended with a language’s native constructs such as
if ... else ... and for loops. This renders greatest flexibility and expressiveness. By
using a dynamic computation graph, users are even free to construct a different network
for each training sample. On the other hand, a static graph needs to be declared using
a specific DSL, which tends to have a steeper learning curve. It is defined only once
in training. Because the structure of a graph is already known during the compilation
phase, there is a great space for optimization. However, it is sometimes very difficult to
use static graphs to express conditions and loops when using with native code together.
The flexibility of a dynamic graph comes at the price of lower performance.
Facebook’s PyTorch and Google’s TensorFlow are the typical examples of dynamic and
static graphs, respectively. Many programmers need to make a choice between these two
different types. A common practice is “using PyTorch at home and using TensorFlow in
the company.” In other words, PyTorch is preferred for prototyping, and TensorFlow is an
ideal option for production use.2
Owl does something slightly different from these two in order to get the best parts of
both worlds. Owl achieves this by converting a dynamic graph into a static one during

1
This figure is generated with the tool provided by the CGraph module in Owl, which we will
discuss in detail in this chapter.
2
In Sep. 2019, TensorFlow rolled out version 2.0. Starting from this version, TensorFlow uses eager
execution by default, which aims to be easier for users to get started with.

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the runtime. The motivation is based on an observation: in many cases, a computation

graph is continuously reevaluated after its construction. This is especially true for those
iterative optimization algorithms. Thus, we only update some inputs of the graph in each
iteration.
If we know that the graph structure remains the same in every iteration, rather than
reconstructing it all the time, we can convert it into a static graph before the iterative
evaluation. This is exactly what Owl does. By doing so, the programmer can enjoy the
flexibility offered by the dynamic graph construction with operator overloading and, at
the same time, still achieve the best performance from a static graph.
Compared to TensorFlow, the time overhead for the graph conversion and
optimization is deferred to the runtime in Owl. Owl uses the just-in-time compilation
(JIT) that is performed during the execution of a program. Since the graph compilation
takes place in runtime, the JIT compiler can utilize dynamic runtime information and
enable better optimization. You may worry about the performance and wonder if it is
going to slow down your fancy DNN application. The fact is, even for large and complex
graphs, this JIT compilation and optimization are often quite fast.
For example, in an LSTM network constructed using Owl,3 there are 15,105 nodes
and 21,335 edges. Owl is able to compile the graph within 230ms and then optimize its
structure within 210ms. The optimized graph contains only 8224 nodes and 14,444 edges
and runs much faster. Note that you only need to do it once before training. For smaller
networks, it often just takes several milliseconds. The CGraph module has implemented
various graph optimization techniques to achieve this, which will be discussed in
Section 6.3.
Technically, JIT is very straightforward to implement in Owl’s architecture. Given
a deep neural network, Owl first runs both forward pass and backward pass. Because
of the computation graph, the calculation becomes symbolic, and we can obtain the
complete computation graph to calculate the loss and gradients of a neural network. It
then passes this static graph to the optimization engine.

3
Code example: Constructing an LSTM network using Owl. URL: https://github.com/owlbarn/
owl/blob/master/examples/lazy_lstm.ml

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Significance in Computing
Now that you know the basic ideas of a computation graph, you may ask why it matters.
Actually, a computation graph plays a core role in any machine learning framework.
Both TensorFlow [1] and PyTorch [42], the most popular deep learning libraries, use
a computation graph as the central data structure. A computation graph makes many
things a lot easier. Here is an incomplete list of its potential benefits:

• Simulating lazy evaluation in a language with eager evaluation

• Incremental computation (a.k.a. self-adjusting computation)

• Reducing computation complexity by optimizing the structure

of a graph

• Reducing memory management overhead by preallocating space

• Reducing memory footprint by reusing allocated memory space

• Natural support for parallel and distributed computing

• Natural support for heterogeneous computing

• Natural support for symbolic maths

Some of the benefits are very obvious. Memory usage can certainly be optimized
if the graph structure is fixed and the input shapes are known beforehand. One
optimization is reusing previously allocated memory, which is especially useful for those
applications involving large ndarray calculations. In fact, this optimization can also
be performed by a compiler by tracking the reference number of allocated memory, a
technique referred to as linear types [50]. Some may appear less obvious at first glance.
For example, we can decompose a computation graph into multiple independent
subgraphs, and each can be evaluated in parallel on different cores or even computers.
Maintaining the graph structure also improves fault tolerance, by providing natural
support for rollback mechanisms.
The computation graph provides a way to abstract the flow of computations;
therefore, it is able to bridge the high-level applications and low-level machinery
of various hardware devices. This is why it has natural support for heterogeneous
computing.

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The computation graph has more profound implications on the scalability and
security of scientific computing systems. Because the memory allocated for each node
is mutable, the algorithmic differentiation becomes more scalable when evaluating
large and complex graphs. At the same time, mutable transformation is handled by Owl
internally, so programmers can still write safe functional code.

6.2 Applications Inside the Computing System

Before diving into the details of the design of the computation graph module, in
this section let’s first show some examples of using the CGraph module and how a
computation can be transformed into lazy evaluation.

Basic Numerical Operations

Let’s start with a simple operation that adds up one ndarray and one scalar. Normally,
with the Ndarray module, what we do is

module N = Dense.Ndarray.D

let x = N.ones [|2;2|];;

let y = 2.;;
let g = N.add_scalar x y;;

Now, let’s make this function into a computation graph which can be lazy evaluated
by CGraph.

module N = Owl_computation_cpu_engine.Make
(Owl_algodiff_primal_ops.D)

The Make function here is actually a functor. For those who are not familiar with
the idea of functor, it is a powerful tool in OCaml to build generic code and structure
large-scale systems. To put into plain words, a functor is a function that creates modules
from modules. As we will explain in Section 6.3, the computation graph is designed as a
functor stack. Different aspects of the computation graph, such as memory management
and graph optimization, are added into the CGraph by creating a new module based

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on an existing one, layer by layer. So far, it suffices to know that the functor creates
a module N, which provides exactly the same ndarray operations, except that all the
operations are conducted on symbols which represent ndarray instead of real objects
allocated in memory.

let x = N.var_arr ~shape:[|2;2|] "x";;

let y = N.var_elt "y";;
let g = N.add_scalar x y;;

Next, we define two variables. The first x is an ndarray (arr), and y is a scalar (elt).
At this point, we only define these two as placeholders with no real data. That is to say,
we do not care about what specific ndarray or scalar these two variables are. Then we use
the add_scalar function to get another lazy evaluated ndarray g. That finishes that lazy
calculation. So far, we only know that g is calculated by adding x and y, but have no idea
what their values are. To get the value of the lazy expression g, we need to first assign
values to x and y:

let x_val = Dense.Ndarray.D.ones [|2;2|];;

let y_val = 2.;;
let _ = N.assign_arr x x_val;;
let _ = N.assign_elt y y_val;;

Here, x is assigned a double-precision ndarray of 1s, and y is float number 2. Note the
two different assignment methods for ndarray and scalar. Finally, we can evaluate the
ndarray g:

# N.eval_arr [|g|]

- : unit = ()

    # N.unpack_arr g
    - : Owl_algodiff_primal_ops.D.arr =
    C0 C1
    R0  3  3
    R1  3  3

The eval_arr evaluates the whole graph but does not return the result. To extract the
calculation result, we need to use the unpack_arr or unpack_elt function. The result is a
2x2 ndarray, the values of which are all 3s, just as expected. So where does the calculation
happen? Remember that the CGraph module N is built based on the double-precision

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type Owl_algodiff_primal_ops module. As we have explained in Chapter 3, this module

is actually an Ndarray.D module, with some extra matrix and linear algebra operations.
Therefore, in this example, g is calculated using C-based ndarray calculation. If we switch
the base module from Ndarray to Owl_base_ndarray, the calculation is then performed
using native OCaml.

Algorithmic Differentiation with CGraph

In real applications, we often need to deal with CGraphs that are constructed in the
algorithmic differentiation process. Here is an example of using the dense ndarray
module to compute the gradients of a function:

include Owl_algodiff_generic.Make
(Owl_algodiff_primal_ops.D)

let f x y = Maths.((x * sin (x + x) + ((pack_flt 1.) * sqrt x)

/ (pack_flt 7.)) * (relu y) |> sum')

let x = Dense.Ndarray.D.ones [|2;2|] |> pack_arr

let y = pack_elt 2.
let z = (grad (f x)) y |> unpack_elt

Based on the chain rule, the Algodiff module automatically constructs a graph that
computes the gradient of input function f. The result is contained in scalar z. However,
the graph is constructed internally, but sometimes we need to have access to this graph
and apply optimizations. Obviously, it is extremely difficult for the users to manually
construct the computation graph that computes the gradient of the function f. Note that
the Algodiff module is also built using functors. Its base module follows the Ndarray
interface. By changing it from the Ndarray to CGraph module, we can make z to be a
computation graph instead of a scalar value, as the following code snippet shows:

module G = Owl_computation_cpu_engine.Make
(Owl_algodiff_primal_ops.D)
include Owl_algodiff_generic.Make (G)

let f x y =
Maths.((x * sin (x + x) + ((pack_flt 1.) *
sqrt x) / (pack_flt 7.)) * (relu y) |> sum')

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let x = G.var_arr ~shape:[|2;2|] "x" |> pack_arr

let y = G.var_elt "y" |> pack_elt
let z = (grad (f x)) y

Most of the code stay unchanged. Notice how the CGraph module is treated as an
alternative to the Ndarray module in building the AD module, since they follow the
same set of interfaces required by the Algodiff module of its base module. They decide
if the AD module uses normal or lazy evaluation. By executing this piece of code, the
result z contains a computation graph constructed by the backward propagation pass in
performing algorithmic differentiation.
The next thing we need to do is to assign values to inputs and evaluate z.
That requires building a graph based on the input and output, as shown by the
following code:

To build a graph, we need to specify the input and output nodes. It might be a bit
confusing, since there are two layers of packing and unpacking: the first from the AD
node to the CGraph element and the second from the CGraph element to ndarray or
scalar. We need AD.unpack_arr and AD.unpack_elt to unwrap AD type data (ndarray
and scalar) into CGraph ndarray and scalar values. And then, to build the explicit
computation graph, we need to use the G.arr_to_node and G.elt_to_node functions
to make them into graph nodes first. Finally, an explicit computation graph can be built
with the make_graph function.
After constructing the graph g, we can then assign real data values to the
computation graph. Note that we need to first unpack the Algodiff values to CGraph
values before assignment:

let x_val = Dense.Ndarray.D.ones [|2;2|];;

let y_val = 2.;;
let _ = G.assign_arr (unpack_arr x) x_val;;
let _ = G.assign_elt (unpack_elt y) y_val;;

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Finally, we can evaluate the whole graph by simply calling

G.eval_graph g;;

Since the whole graph is evaluated, the output ndarray z is also evaluated. We can
first unpack it from the Algodiff value into normal CGraph ndarray and then get its
value by another layer of unpacking:

# unpack_elt z |> G.unpack_elt

- : float = 4.20861827873129801

Figure 6-2. Computation graph of a simple math function

You might be wondering why bother to build the graph through all these layers of
packing and unpacking when we can directly evaluate the value z. One main reason is
to enable various optimizations on the graph before executing it, as we will explain in
the following sections. Another reason is that evaluation is not always the target. For
example, we often need to visualize the generated computation graph. The computation
graph is very helpful in both debugging and understanding the characteristics of your
numerical computations. Owl provides the graph_to_dot function to facilitate you in

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generating computation graphs. It converts the computation graph into a dot format
string. The dot file can be visualized with tools such as Graphviz. For example, the
following code generates a dot file for the graph we have constructed in this example,
and this graph is shown in Figure 6-2.

let s = G.graph_to_dot g
let _ = Owl_io.write_file "cgraph.dot" s

Deep Neural Network

Since the optimization and neural network modules are built on the algorithmic
differentiation module, they can also benefit from the power of the computation graph.
Suppose we have a network built from CGraph-based neural network nn, we can then
use the forward and backward functions to get the forward inference and backward
propagation computation graphs from the neural network graph module, with the
CGraph ndarray variable. Actually, for ease of access, Owl has provided another functor
to build the neural network module based on the CGraph module:

module CPU_Engine = Owl_computation_cpu_engine.Make

(Owl_algodiff_primal_ops.S)
module CGCompiler = Owl_neural_compiler.Make (CPU_Engine)

open CGCompiler.Neural
open CGCompiler.Neural.Graph
open CGCompiler.Neural.Algodiff

let make_network input_shape =

  input input_shape
  |> lambda (fun x -> Maths.(x / pack_flt 256.))
  |> conv2d [|5;5;1;32|] [|1;1|] ~act_typ:Activation.Relu
  |> max_pool2d [|2;2|] [|2;2|]
  |> dropout 0.1
  |> fully_connected 1024 ~act_typ:Activation.Relu
  |> linear 10 ~act_typ:Activation.(Softmax 1)
  |> get_network ~name:"mnist"

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The CGraph-built neural network module does not require any change of code
in building the CNN except for the headers. To build a normal neural network, we
use the Neural module, and now we only need to change that to the CGCompiler.
Neural module. Here, the owl_neural_compiler functor compiles a DNN definition
and training configuration into a device-dependent static graph. As its output, the
CGCompiler is a computation graph–powered neural network compiler module.
CGCompiler also provides training functions. Note that the data requires proper packing
around original ndarray.

let pack x = CGCompiler.Engine.pack_arr x

|> Algodiff.pack_arr

let train network =

  let x, _, y = Dataset.load_mnist_train_data_arr () in
  let x = pack x in
  let y = pack y in
  CGCompiler.train network x y

Similarly, the inference can be done with the CGCompiler.model function. To make
the existing DNN program into a lazy evaluation version, all we need to do is to update
the header and use packing/unpacking properly for the data.
One of the key performance improvements CGraph has on the neural network lies
in its ability of graph and memory optimization. To motivate you to understand more
about the design and optimization of the CGraph module, here is an example. Let’s train
a LeNet-like DNN based on the MNIST dataset, using the normal version mnist_cnn.
ml and the CGraph-powered version lazy_mnist.ml.4 Similar to the preceding example
code, both scripts train the same convolution neural network in 60 iterations. In one of
our evaluations on a normal laptop, mnist_cnn.ml takes 30s to finish and approximately
consumes 4GB memory, while lazy_mnist.ml only takes 5s and consumes about
0.75GB. This performance improvement is astounding. If these numbers make you
interested in knowing how the magic happens, please keep reading the next section. We
will unveil the underlying mechanism of Owl’s computation graph.

4
Both code snippets are available from the source code of Owl.

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6.3 Design of Computation Graph Module

Owl implements the computation graph in a very unique and interesting way. Let’s first
see several principles we followed in designing and developing this module:

• Nonintrusive, the original functor stack should work as it was

• Transparent to the programmers as much as possible

• Support both eager and lazy evaluations

• Flexible enough for future extension on other devices

The computation graph is implemented in a self-contained stack. We have devised a

way to “inject” it into Owl’s original functor stack. If it sounds too abstract, please have a
look at the final product in Figure 6-3.

Figure 6-3. Computation graph functor stack in Owl

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The left figure shows part of Owl’s original functor stack, and the right one shows
how the current one looks like after injection. In the very initial design, Ndarray
implements a set of fundamental n-dimensional array operations, then Algodiff defines
abstract mathematical operations for differentiation, finally the Optimise engine glues
low-level maths with high-level deep neural network applications. The whole stack is
parameterized by the number type abstraction in Ndarray:

• Ndarray: Provides number type abstraction and implements the

fundamental numerical operations

• Algodiff: Implements algorithmic differentiation

• Optimise: Uses the derivative information to build an

optimization engine

• Neural_Neuron: Implements various kinds of neuron functions which

can be optimized

• Neural_Graph: Connects neurons together to form a network so that

we can train a useful model

Based on this architecture, the whole functor stack of the computation graph can be
inserted between the Ndarray and Algodiff modules. The design principle is that the
functor stack of a numerical system should be parameterized by both number type and
device type. The number type provides data representation (real or complex, single or
double, row-based or column-based layout, etc.) which decides how a math construct
should be built and operated. The device type provides hardware representation (CPU,
GPU, FPGA, etc.) which decides how the computation should be performed on a
specific device.
The following list summarizes the functionality of each functor in the CGraph stack.
The order and naming of these functors can give you a rough understanding about how
it is designed, as follows:

• Device: Device abstraction contains device-dependent types and

functions.

• Type: Type definition of various (mathematical) operations.

• Shape: Provides the shape inference function in the graph.

• Symbol: Provides various general functions to manipulate symbols.

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• Operator: Implements math operators (+, -, *, /, etc.) which decide

how the symbols should be connected to form a graph.

• Optimiser: Optimizes the structure of a given graph by searching and

optimizing various patterns.

• Graph: Manipulates computation graphs at a high level, for example,

visualization, connecting inputs and outputs.

• Engine: Evaluates a computation graph on a specific device.

Simply put, the injected computation graph stack provides an abstraction layer
similar to symbolic maths. Without injecting the computation graph, the OCaml returns
2 if you calculate 1+1; now it returns a graph of several nodes. Thus, the original eager
evaluation becomes symbolic operation and pure graph manipulation, and the graph
can be lazily evaluated.
The shape inference functionality is able to infer the data shape of every node in
a graph from its input. This allows Owl to calculate how much memory is required
to evaluate the graph and preallocate this space. Owl can further track the reference
number of each function node and reuse the allocated memory as much as possible,
which reduces both memory footprint and garbage collector (GC) overhead,
significantly improving the computation speed.
The engine functor sits on top of the stack. This is where a computation graph finally
gets executed. The engine functor contains two submodules, one for initializing the
graph and the other for evaluating the graph. We can try the following snippet in an
OCaml REPL such as utop. Both snippets generate a module for DNN applications; the
difference is that the first one uses the old stack, whereas the second one uses the new
stack with the computation graph.

  module M =
    Owl_neural_generic.Flatten (
      Owl_neural_graph.Make (
        Owl_neural_neuron.Make (
          Owl_optimise_generic.Make (
            Owl_algodiff_generic.Make (
              Dense.Ndarray.S)))));;

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As to the new stack that contains computation graph functors, we can see it is indeed
much deeper.

  module M =
    Owl_neural_generic.Flatten (
      Owl_neural_graph.Make (
        Owl_neural_neuron.Make (
          Owl_optimise_generic.Make (
            Owl_algodiff_generic.Make (
              Owl_computation_engine.Flatten (
                Owl_computation_cpu_engine.Make_Nested (
                  Owl_computation_graph.Make (
                    Owl_computation_optimiser.Make (
                      Owl_computation_operator.Make (
                        Owl_computation_symbol.Make (
                          Owl_computation_shape.Make (
                            Owl_computation_type.Make (
                              Owl_computation_cpu_device.Make (
                                Dense.Ndarray.S))))))))))))));;

We have introduced the different components of the computation graph module.

Next, we will dive deep into the implementation of core functionalities of this module:
the construction of a graph, the optimization of the graph structure, the evaluation, the
memory optimization in execution, etc.

Computing Device
A computation graph is an abstract construct to express the logic of a function. To
calculate the outcome of a function, computation graphs need to be evaluated on a
physical device. The device can be anything as long as it has the capability to perform
numerical operations, such as the CPU, GPU, etc. To extend Owl on a new device,
we only need to create a new device module and define how the basic operations
can be performed on this device. Because a majority of the CGraph module is device
independent, the device layer becomes very lightweight, which further makes Owl very
easy to extend.

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The following functor defines a CPU device. The functor’s input is the type of data
which will be manipulated on the device. In our case, they are either ndarray or scalar
values. This makes perfect sense if you are familiar with computer architecture. The data
are often stored and processed differently on devices of different architectures. Making a
new device is simply creating an abstract record type in OCaml. The other two functions
are for packing and unpacking data into the types which a device can process.

module Make (A : Ndarray_Mutable) = struct

module A = A

  type device =
    { device_type : device_type
    ; initialised : bool
    }

  type value =
    | ArrVal of A.arr
    | EltVal of A.elt

let make_device () = { device_type = CPU; initialised = false }

let arr_to_value x = ArrVal x

let value_to_arr = function

| ArrVal x -> x
| _ -> failwith "Owl_computation_device: value_to_arr"

...

end

For example, OpenCL is a framework for developing cross-platform programs;

these programs can execute on heterogeneous platforms consisting of the CPU, GPU,
DSP, FPGA, and other processors or hardware accelerators. The following code defines
an OpenCL-compatible device. Compared to the CPU device, the most noticeable
difference on the OpenCL device is that the values are represented very differently. The
data can be stored either on the memory attached to the CPU or the memory attached
to the GPU. Quite often, the data has to be transferred between the two disjoint memory
systems for performance considerations. Moreover, the computation performed on a

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GPU is defined by kernels which are written in C-like DSL. Different computing units
communicate through events.

module Make (A : Ndarray_Mutable) = struct

module A = A

  type device =
    { device_type : device_type
    ; initialised : bool
    }

type cpu_mem = A.arr

  type value =
    { mutable cpu_mem : cpu_mem array
    ; mutable gpu_mem : cl_mem array
    ; mutable kernel : cl_kernel array
    ; mutable events : cl_event array
    }

let make_device () = { device_type = OpenCL; initialised = false }

  let arr_to_value x =
    let cpu_mem = [| x |] in
    let gpu_mem = [||] in
    let kernel = [||] in
    let events = [||] in
    { cpu_mem; gpu_mem; kernel; events }

  let value_to_arr x =
    if Array.length x.cpu_mem > 0
    then x.cpu_mem.(0)
    else failwith "value_to_arr: not evaluated yet"

...

end

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There are four attributes associated with a value regarding its storage, computation,
and communication on an OpenCL device, that is, CPU memory and GPU memory
for storage, kernel for computation, and event for communication between
computing units.

Types of Operation
The Owl_computation_type functor takes a device module as its input, then specifies
all the possible operations on the given device. Whenever we want to extend the set
of operations, we need to add the corresponding constructor of the new operation to
the sum type op. The current set of operations covers a wide range of unary and binary
numerical functions, such as Abs, Neg, Add, as well as functions for neural networks such
as MaxPool3d.

module Make (Device : Owl_types_computation_device.Sig) = struct

module Device = Device
open Device

  type state =
    | Valid
    | Invalid

type t = attr Owl_graph.node

  and block =
    { size : int
    ; block_id : int
    ; mutable active : t option
    ; mutable memory : value
    ; mutable nodes : t list
    }

  and attr =
    { mutable op : op
    ; mutable freeze : bool
    ; mutable reuse : bool
    ; mutable state : state

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; mutable shape : int array option array

    ; mutable value : value array
    ; mutable block : block array option
    }

and arr = Arr of t

and elt = Elt of t

  and op =
    | Noop
    | Var
    | Const
    | Abs
    | Neg
    ...

end

Here, attr is a record type containing the properties of an operation. These

properties will be utilized to initialize a graph and optimize its memory usage and
evaluation performance. For example, the reuse field specifies whether the memory
associated with an operation can be shared with other operations. The block type stores
the memory and all the operations which are sharing this memory.

Shape Inference
The shape of data might change while traveling through different nodes in a
computation graph. The shape information is very valuable for debugging and
optimization purposes. When all the inputs of a given function are known, the shape
of the outcome can be decided; hence, the shape information of a computation graph
becomes available. The Owl_computation_shape functor is created for automating
shape inference. The core function of this functor is infer_shape which calls the
corresponding shape inference function of an operator using pattern matching.

module Make (Type : Owl_computation_type_sig.Sig) = struct

module Type = Type

let infer_shape operator args =

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let input_shapes = Array.map (fun a -> (Owl_graph.attr

a).shape) args in
    match operator with
    | Noop -> _infer_shape_01 input_shapes
    | Create shape -> [| Some shape |]
    ...
    | Scalar_Add -> _infer_shape_00 input_shapes
    | Scalar_Sub -> _infer_shape_00 input_shapes
    ...
    | Abs -> _infer_shape_01 input_shapes
    | Neg -> _infer_shape_01 input_shapes
    ...
    | Add -> _infer_shape_03 input_shapes
    | Sub -> _infer_shape_03 input_shapes
    ...
    | Conv1d (padding, stride) -> _infer_shape_11 input_shapes
padding stride
    | Conv2d (padding, stride) -> _infer_shape_12 input_shapes
padding stride
    | Conv3d (padding, stride) -> _infer_shape_13 input_shapes
padding stride
    ...

end

There are over 30 shape inference functions defined. We can take a closer look at
those frequently used ones. For example, scalar operators such as Scalar_Add do not
require shape information, so its inference function only returns an empty array. The
reason for using an array of arrays as the returned type is because an operator might
produce multiple ndarrays as outputs.

let _infer_shape_00 _input_shapes = [| Some [||] |]

The _infer_shape_01 pattern is defined for a unary operator with a single input
and a single output such as Abs. These operators do not change the shape of the data;
the input and output have exactly the same shape. Thus, the inference function simply
returns the shape of the input as the shape of the output.

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let _infer_shape_01 input_shapes =

If the inputs have the same shape, binary operators like Add will produce an output
of the same shape. However, if the shapes of inputs are different, broadcasting must be
taken into account to correctly calculate the output shape. Luckily, the broadcasting
rules can be codified easily from that used in the Ndarray module for shape inference
purposes.

let _infer_shape_03 input_shapes =

  let s0 = input_shapes.(0).(0) in
  let s1 = input_shapes.(1).(0) in
  match s0, s1 with
  | Some s0, Some s1 -> [| Some Owl_utils_infer_shape.(broadcast1 s0 s1) |]
  | _, _             -> [| None |]

We do not cover all the shape inference patterns here. If you are interested, the
readers are encouraged to read the source code of Owl to learn more about them. When
the shape of a graph is known, we can exploit this information to calculate the total
memory consumption, discover optimization opportunities, validate the consistency of
inputs and outputs, identify potential bugs, etc.

Creating and Linking Nodes

Now we come to a higher level of abstraction: the graph itself. For inputs, outputs, and
operators in a computation graph, we need to create their corresponding nodes. Because
numerical operations are composable, the output of a function can become the inputs
of other functions. We also need to link the nodes according to their input and output
dependencies. The Owl_computation_symbol and Owl_computation_operator functors
are developed for this purpose. The input of Owl_computation_symbol is a shape
module, so the functor can infer the shape automatically while constructing a graph. The
most basic functions like arr_to_node and node_to_arr pack and unpack ndarrays to
and from a CGraph node.

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module Make (Shape : Owl_computation_shape_sig.Sig) = struct

module Shape = Shape

let node_to_arr x = Arr x

let arr_to_node = function

| Arr x -> x

let node_to_elt x = Elt x

let elt_to_node = function

| Elt x -> x

...
end

The general function for creating a node is make_node. The function utilizes the node
type defined in the Owl_graph module which provides a comprehensive set of functions
to manipulate a graph.

let make_node ?name ?value ?shape ?freeze ?reuse ?state op =

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  let freeze =
    match freeze with
    | Some s -> s
    | None   -> false
  in
  let value =
    match value with
    | Some v -> v
    | None   -> [||]
  in
  let attr = { op; freeze; reuse; state; shape; value; block = None } in
  let node = Owl_graph.node ?name attr in
  if value <> [||] then make_value_block value.(0) node;
  node

Because the Owl_graph module is designed for general-purpose graph manipulation

such as construction, iteration, search, pruning, etc., the node properties are kept
minimal and can be extended. The node type has a type parameter as you can see in its
definition; therefore, we can attach related attributes of an operation to the node.

type 'a node =

  { mutable id : int
  ; mutable name : string
  ; mutable prev : 'a node array
  ; mutable next : 'a node array
  ; mutable attr : 'a
  }

Inputs need to connect to an operator to produce an output. If the output becomes

the input of another operator, the computations are chained together. make_node only
creates nodes, while make_then_connect does the linking job. The make_then_connect
function internally calls make_node first to create a child node and then connects the
outputs of the parent nodes to the inputs of the child node. Special attention is required
if there are duplication in parent nodes, for example, in the y = x + x case.

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let make_then_connect ?shape op parents =

For simple creation functions of ndarray, such as empty, zeros, etc., make_node is
sufficient because these functions do not require any parents to provide inputs except its
own shape information.

module Make (Symbol : Owl_computation_symbol_sig.Sig) = struct

module Symbol = Symbol

let empty shape = make_node ~shape:[| Some shape |] (Empty shape)

|> node_to_arr

let zeros shape = make_node ~shape:[| Some shape |] (Zeros shape)

|> node_to_arr
...
end

For unary operators which do require the output of a parent node, make_then_
connect is called to connect the parent’s output to the operator’s input. The outputs of
parent nodes are unpacked from the arr type, while the outputs of a child are packed
back into the arr type.

let abs x = make_then_connect Abs [| arr_to_node x |] |> node_to_arr

let neg x = make_then_connect Neg [| arr_to_node x |] |> node_to_arr

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Binary operators work in a similar way. The only difference is that the inputs are from
two parents rather than one comparing to unary operators.

let add x y = make_then_connect Add [| arr_to_node x; arr_to_node y |]

|> node_to_arr

let sub x y = make_then_connect Sub [| arr_to_node x; arr_to_node y |]

|> node_to_arr

let mul x y = make_then_connect Mul [| arr_to_node x; arr_to_node y |]

|> node_to_arr

let div x y = make_then_connect Div [| arr_to_node x; arr_to_node y |]

|> node_to_arr

With these basic functions, we can construct very complicated computation graphs.
Quite often, the underlying computation graph may appear more complicated than the
actual function defined in code; neural network applications are good examples.

Optimization of Graph Structure

The Optimiser functor is in charge of graph structure manipulation. It searches for
various structural patterns in a graph and then performs various optimizations, such as
removing unnecessary computations, fusing computation nodes, etc. All the patterns are
defined in the Owl_computation_optimiser functor.
Let us first look at the heart of this functor, _optimise_term function, as follows.
This function traverses backward from leaves to their ancestors recursively, looking for
certain patterns to optimize. The patterns which the functor can recognize are coded
in various pattern_* functions which call each other recursively. The source code
is organized so that it is very straightforward to plug in more patterns to extend the
optimizer’s capability.

module Make (Operator : Owl_computation_operator_sig.Sig) = struct

module Operator = Operator

let rec _optimise_term x =

Owl_log.debug "optimise %s ..." (node_to_str x);
if is_valid x = false

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Figure 6-4. Optimization techniques in a computation graph: constant folding

In this part, we will explain three most commonly used graph optimization
patterns: constant folding, operations fusing, and removing zeros. Constant folding is
a very basic pattern to reduce graph size. In a computation graph, it is common to see
that a lot of constants are involved. As a result, some subgraphs can be precalculated.
Figure 6-4 shows such an example. In this subgraph, the nodes #241 depends on are
either constants or operations on constants. Therefore, the value of node #241 is already
decided. We can thus fold this subgraph into one single node before evaluating the
whole graph.
From the definition of the _optimise_term function, we can see the Scalar_Add
operator triggers the pattern_010 function. This function first tries to optimize the
parent nodes, and then it checks whether both parents are constants. If so, the function
evaluates the expression based on the current operator, creates a new constant node for

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the result, and removes the current node and its parents. By doing so, all the expressions
which can be evaluated during this phase will be folded into a constant, which can save a
lot of time during the graph evaluation phase.

Figure 6-5. Optimization techniques in a computation graph: fusing operations

and pattern_010 x =
  let parents = parents x in
  let a = parents.(0) in
  let b = parents.(1) in
  _optimise_term a;
  _optimise_term b;
  match get_operator a, get_operator b with
  | Const, Const ->
      let a_val = node_to_elt a |> elt_to_float in
      let b_val = node_to_elt b |> elt_to_float in
      let c_val = pattern_011 (get_operator x) a_val b_val in
      set_parents x [||];

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The next pattern, fusing operations, combines multiple operations into one, if
applicable. For example, in Figure 6-5, nodes #421, #463, and #464 are fused into one fma
node (i.e., fused-multiply-add operation). Owl also recognizes complicated patterns, for
example, a pattern formed by nodes #511–#515 appears a lot in DNN training that uses
the Adagrad (adaptive subgradient) training method. Fusing all these operations into
one single operation can improve computing efficiency as well as numerical accuracy.
Besides, this optimization also effectively reduces the round trips to the memory, which
saves a lot of time when operating on large ndarrays.
In the source code, fusing FMA operation depends on the pattern_004 function. The
function first checks if the current operator is Add, then checks if one of the inputs is from
the multiplication operator. If both conditions are satisfied, the pattern is identified. The
refnum is a counter tracking how many times the output of an operator has been referred
to by other expressions. If refnum is greater than one, we cannot fuse the operator
because its output is used by another operator as input.

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Figure 6-6. Optimization techniques in a computation graph: adding zero

and pattern_004 x =
  if get_operator x = Add
  then (
    let x_parents = parents x in
    let a = x_parents.(0) in
    let b = x_parents.(1) in
    if get_operator a = Mul && refnum a = 1
    then (
      let new_parents = Owl_utils_array.(parents a @ [| b |]) in
      set_parents x new_parents;
      replace_child a x;
      set_operator x FMA;
      remove_node a)
    else if get_operator b = Mul && refnum b = 1
    then (
      let new_parents = Owl_utils_array.(parents b @ [| a |]) in
      set_parents x new_parents;

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      replace_child b x;
      set_operator x FMA;
      remove_node b))

Next, the adding zero pattern is trivial to see in the graph. If one node adds another
zeros node, then the zeros node can be safely removed. In the example shown in
Figure 6-6, nodes #164 and #166 are removed, and the others are folded. Moreover,
node #255 for the repeat operation is also removed because the add operation already
supports the broadcasting operation. Removing #255 can save some runtime memory in
the evaluation.
The pattern_002 function detects both x + 0 and 0 + x patterns. The implementation
is intuitive. After an Add operator is identified, the function checks whether one of the
inputs is zero. If so, the Zero node is removed, and the current Add operator is replaced
with the Noop operator.

and pattern_002 x =
  let x_parents = parents x in
  let a = x_parents.(0) in
  let b = x_parents.(1) in
  if get_operator x = Add
  then (
    match get_operator a, get_operator b with
    | Zeros _, _ ->
      set_operator x Noop;
      remove_edge a x;
      _optimise_term x
    | _, Zeros _ ->
      set_operator x Noop;
      remove_edge b x;
      _optimise_term x
    | _, _       -> ())

There are also other patterns that focus on specific calculations, such as
multiplication, division, repeat, sum-reduce, etc. Please refer to the source code if
you are interested in them. To show how effectively the Optimiser works, we again

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use the aforementioned LeNet-like CNN that is trained on the MNIST dataset. The
original network has 201 nodes and 239 edges; after applying the graph optimization in
Optimiser, the whole computation graph consists of only 103 nodes and 140 edges.
Optimizing a graph structure to improve evaluation performance is an advanced
topic. But as you can see in the previous step-by-step illustration, advanced
functionalities can be decomposed into a set of simple functions identifying specific
patterns and optimizing locally using a typical divide-and-conquer approach. The graph
optimization in TensorFlow follows a somewhat similar path. The computation graph
in TensorFlow is first constructed using the Python frontend, and via a layer of the C
API, this graph is converted to a format that the C++ backend can recognize. After that,
the graph is optimized using various techniques, including common subexpression
elimination, constant folding, removing identity nodes, removing dead nodes, etc. If you
look at the source code of TensorFlow, this part of functionalities is taken care of by the
common runtime module of its core engine.

Computation Engine
Finally, we have reached the top of the CGraph functor stack: the computation engine.
Because a computation graph has to be evaluated on the hardware, each type of device
must implement its own computing engine. The following code shows the engine
for CPU devices. The core function eval_gen consists of two steps. The first step is to
initialize the graph by calling _init_terms. The second step is to evaluate the graph by
calling _eval_terms.

module Make_Nested (Graph : Owl_computation_graph_sig.Sig) = struct

  module Graph = Graph
  module CG_Init = Owl_computation_cpu_init.Make (Graph)
  module CG_Eval = Owl_computation_cpu_eval.Make (Graph)

let eval_gen nodes =

CG_Init._init_terms nodes;
CG_Eval._eval_terms nodes

let eval_elt xs = Array.map elt_to_node xs |> eval_gen

let eval_arr xs = Array.map arr_to_node xs |> eval_gen

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let eval_graph graph =

Graph.invalidate_rvs graph;
Graph.get_outputs graph |> eval_gen
end

For comparison, let us also create a loop at the computing engine for OpenCL
devices. The functor structure of the OpenCL computing engine is almost the same
except the eval_gen function.. The function has a bit more code because the procedure
of setting up a computing environment is much more complicated on an OpenCL-
compatible device than on a CPU device. The procedure consists of many steps including
specifying context, accelerator, command queue, kernel programs, etc. The evaluation
outputs also need to be explicitly copied from GPU memory to CPU memory for further
processing.

let eval_gen dev_id nodes =

  let ctx = Owl_opencl_context.(get_opencl_ctx default) in
  let dev = Owl_opencl_context.(get_dev default dev_id) in
  let cmdq = Owl_opencl_context.(get_cmdq default dev) in
  let prog = Owl_opencl_context.(get_program default) in
  let param = ctx, cmdq, prog in

CG_Init.init_nodes nodes param;

  Array.iter
    (fun y ->
      CG_Eval._eval_term y param;
      let y_val = (get_value y).(0) in
      CG_Eval.gpu_to_cpu_copy param y_val |> ignore)
    nodes;
  Owl_opencl_base.CommandQueue.finish cmdq

The _eval_terms function consists of many _eval_map_* functions to perform actual

computation. Let us look at a simple one _eval_map_00 for CPU devices. This function is
for operators with a single input and a single output. The _eval_map_00 simply applies
the operator’s function f to its input x, then returns the result.

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and _eval_map_01 x f =
  _eval_terms (parents x);
  let inputs = Array.map (fun parent ->
    value_to_arr (get_value parent).(0)) (parents x) in
  let out = value_to_arr (get_value x).(0) in
  f ~out inputs

On the other hand, the similar function for OpenCL devices is more complicated.
Because the computation takes place on an accelerator, we need to set up the command
queue for communication and event queue for synchronizing computing units. We
also need to specify the suitable kernels. for computing logic. These kernels are
compiled dynamically during the runtime and then copied to the computing units of
an accelerator. When the output is finally ready, we must explicitly dispatch the event to
notify the dependent.

and _eval_map_01 x param =

  Array.iter (fun parent -> _eval_term parent param) (parents x);
  let _, cmdq, _ = param in
  let kernel = (get_value x).(0).kernel.(0) in
  let items = [ node_numel x ] in
  let wait_for = aggregate_events (parents x) |> Array.to_list in
  let event = Owl_opencl_base.Kernel.enqueue_ndrange ~wait_for cmdq kernel
1 items in
  Device.append_events (get_value x).(0) [| event |]

Programming a GPU is very much like programming a computer cluster. The gain
of parallel computing comes with inevitable synchronization and communication
overhead. Therefore, GPU computing only makes sense when the computation
complexity is high enough to dwarf other overheads.
When offloading the computation to a GPU, we should avoid transmitting data back
and forth between the host and the device memory, so eager evaluation is not ideal
in this context because the performance will be throttled by copying. This is the gap
between CPU computing and a language with eager evaluation. The computation graph
essentially fills the gap between Owl and GPU computing simply because the laziness
can be simulated now.

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From an implementation perspective, we only need to write a new engine functor for
GPU devices to evaluate a graph; all the others remain the same. Comparing to the CPU
engine, the OpenCL engine maintains the memory allocated on both the host and the
device for each node, copying only happens whenever it is necessary, and the allocated
memory on the device is reused as much as possible.

6.4 Optimizing Memory Usage

in Computation Graph
In the previous sections, we have introduced the CGraph stack. Before concluding this
chapter, we would like to show optimizations we have made to reduce memory usage
in the CGraph module. One principle we have been following during developing Owl is
to always get driven by real-world applications. Besides the image recognition example,
we have built an image segmentation application, a challenging and interesting use
case for Owl. Seeking to push the performance of this application, we manage to further
optimize the design of the CGraph module. We will present this deep neural network,
Mask R-CNN, in Chapter 5. This section is mainly based on the work done by Pierre
Vandenhove on Owl during his internship in the OCaml Labs [49].
The first issue after constructing the network, called Mask R-CNN, or MRCNN, in
Owl was that its memory usage. in inference mode was huge. The network has over 400
layers. A reasonable input image size for this network is a 1024-pixel-wide square. To
avoid reinitializing the network for every picture, it is a good practice to keep its input
size fixed and to resize instead all the images to that size. Unfortunately, obtaining
detections for one picture with such size required over 11GB of RAM, which was too
much for a normal laptop. There is surely a big room for improvement.
We first try to apply the graph structure optimization we have mentioned in the
previous section. The number of nodes of the Mask R-CNN network drops from 4095
to 3765, but its effect in memory reduction is limited. To this end, we need to add in the
CGraph functor stack another important layer: memory management. Specifically, we
need the ability to preallocate a memory space to each node, to decrease the overall
memory consumption and reduce the garbage collector overhead. The key is to find the
allocated memory block in the graph that is no longer required and assign it to other
nodes that are in need.

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The memory manipulation functionalities are implemented in the Engine functor

in the stack. The key data structure is the block type we mentioned in Section 6.3. The
block type is a record which maintains a list of nodes sharing the same memory. The
initial strategy to allocate memory to a node u in Owl’s computation graph module was
simply to reuse the memory of a direct predecessor with the same output shape as u
when that is possible. For example, if we add two ndarrays of the same shape, the output
ndarray can reuse the memory block of one of them. This optimization decreases the
memory consumption of Mask R-CNN from 11GB to 7GB. This 36% reduction looks
quite impressive, but can we do even better?
To describe the process of allocating memory in a computation graph, it is
interesting to first look at the pebble game, which was introduced in 1973 to explain
register allocation [45]. The pebble game is played on a directed acyclic graph. Each
node can store at most one pebble. The game begins with no pebble on any node. At
each step, the player can do one of the following moves:

1. If a vertex v has no predecessor, the player can place a pebble on v.

2. If all predecessors of a vertex v are pebbled, the player can place a

pebble on v or slide a pebble from one of its predecessors to v.

3. The player can remove any pebble from a vertex (and reuse that
pebble later).

The goal of the game is to place a pebble at least once on some fixed output vertices of
the graph. Figure 6-7 shows an example of an optimal pebbling strategy using the previous
computation graph (gray nodes are pebbled), using moves 1-> 2 -> 3 -> 1 -> 2-> 2.
We assume that the goal is to pebble node 5.
This game relates to the memory allocation of the computation graph if we see
pebbles as memory blocks used to store the output value of a node. We assume that the
values of the inputs are known (move 1). We can only compute the value of a vertex if all
its predecessors are simultaneously stored in memory (move 2). The sliding move means
that the memory of a node can be overwritten by its successor during its computation
(inplace reuse). We can always reuse a memory block from any other node (move 3).
Given a graph, the idea is thus to find a strategy to pebble it using the minimum number
of pebbles, in other words, using as little memory as possible.

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Figure 6-7. Modeling a computation graph memory optimization problem as a

pebble game

We also want to avoid pebbling any node twice in order to keep the execution time as
low as possible, because that would mean that we compute the same node twice. Given
these constraints, finding a strategy using the least amount of pebbles is unfortunately
NP complete [45]. Since computation graphs can have a few thousand nodes, we
implement a fast heuristic instead of an exact algorithm.
Now we can apply the pebble game process in our memory allocation process. We
propose to share memory between nodes that (1) are not necessarily a parent/child pair
and (2) that do not have the same output size (by allocating a large block of memory
once, without necessarily using all of it all the time). To do this efficiently, we first have
to fix an evaluation order (in practice, any topological order). Given this order, we
can pinpoint the moment when the memory of a node becomes useless by keeping a
counter of how many times it has been used. When it has been used by all its children,
we can recycle its memory. Then to allocate memory to a node, we simply check which
blocks are available, and we select the one with the closest size (in order not to waste
too much memory). If no block is available, we allocate a new one. This can be executed
in O(n∗ log (n)) time, which is negligible compared to the actual cost of evaluating
the graph.

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Note that some operations cannot overwrite their inputs while they are being
computed (the sliding move from the pebble game is forbidden) and that some nodes
cannot be overwritten for practical purposes, typically constant nodes or neural network
weights. When evaluated in the right order, the computation graph needs much smaller
blocks of memory than the non-optimized version. As an example, part of an optimized
computation graph is shown in Figure 6-8. Each color corresponds to a memory block,
and white nodes always need to be kept in memory.
The code in add_node_to_block illustrates the steps of introducing a new node. If
the memory block of the parent is reusable, the function checks whether the memory
is large enough for accommodating the output of the current operator. If so, the node
includes the current operator to the list of nodes sharing the same memory block.
Moreover, the memory is reshaped according to the shape of the output.

let add_node_to_block x block =

  let dst_shp = node_shape x in
  let dst_numel = node_numel x in
  let src_val = value_to_arr (_get_value_block block) in
  let dst_val = arr_to_value
    (A.reshape (A.sub_left src_val 0 dst_numel) dst_shp) in
  block.nodes <- x :: block.nodes;
  _set_block x [| block |];
  (attr x).value <- [| dst_val |]

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Figure 6-8. Optimized memory allocation

Table 6-1. Evaluation of the Effect of CGraph Memory Optimization Using

Different DNN Architectures
Architecture Time Time with CG (Building Memory Memory with

Without CG + Evaluating) (s) Without CG CG (MB)

(s) (MB)
InceptionV3 0.565 0.107 + 0.228 = 0.335 625.76 230.10
ResNet50 0.793 0.140 + 0.609 = 0.749 1309.9 397.07
MNIST (Training) 20.422 0.144 + 10.920 = 11.064 3685.3 895.32
Mask R-CNN 11.538 0.363 + 8.379 = 8.742 6483.4 870.48

Implementing this effectively further reduced the memory consumption of

Mask R-CNN from 7GB to 1GB for a 1024x1024 picture. Table 6-1 shows some more
statistics illustrating what the computation graph with this new algorithm achieves.
These experiments run on a laptop with an Intel i5-6300HQ and 8GB of RAM. In this
evaluation, the InceptionV3 and ResNet50 networks are tested with a 299x299 image,
and Mask R-CNN is tested with a 768x768 image. The MNIST line refers to the small
LeNet-like neural network we used in Section 6.2. The final result is calculated as an

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average over 30 evaluations, without reusing precomputed nodes when a computation

graph is used. The graph building phase includes graph construction, optimization, and
memory initialization.
This evaluation result shows the impact of the CGraph module. On one hand, with
graph structure optimization, the execution time of the neural network is significantly
reduced. This decrease is especially obvious for inference on large networks such as
Mask R-CNN or model training. On the other hand, the memory reduction is also
impressive, achieving as large as more than 10x reduction for the inference with the
Mask R-CNN network.

6.5 Summary
In this chapter, we introduced the core computation graph module in Owl. We started
with a general introduction of the computation graph in numerical computing and
why we build that in Owl. Then we used several examples to demonstrate how the
computation graph module is used in Owl. This was followed by the internal design of
this module, most importantly the CGraph stack and its position in the Owl architecture.
The computation graph creates a large optimization space, and in this chapter, we
presented two of them in detail. The first is the graph structure optimization, and the
second is to optimize the memory allocation in the computation graph. A computation
graph is an important research topic, and we believe there is still much potential in this
module for performance improvement.

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CHAPTER 7

Performance Accelerators
7.1 Hardware Accelerators
The Graphics Processing Unit (GPU) has become one of the most important types of
hardware accelerators. It is designed to render 3D graphics and videos and still is core
to the gaming industry. Besides creating stunning visual effects, programmers also
take advantage of the GPU’s advantage in parallel processing in many fields to perform
computing-heavy tasks, such as in health data analytics, physical simulation, artificial
intelligence, etc.
Recall from Chapter 2 the architecture of a typical CPU. The architecture of a
GPU core is somewhat similar. Figure 7-1 shows one core of an Nvidia GTX 1080,
which contains 20 such cores. Compared with a CPU core, it contains much more
multithreading units, including more single-instruction-multiple-data (SIMD) function
units, and more cores in a GPU. Another character of the GPU is its small cache. This
GPU contains only two levels of caches (this figure only shows the level 1 cache; the level
2 cache is shared by all 20 cores), each smaller than a typical CPU’s. Besides, the GPU
also focuses on throughput, and thus its bandwidth between cores and memory is much
larger than that of a CPU.

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© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
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Chapter 7 Performance Accelerators

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Figure 7-1. Illustration of a GPU core architecture

Another type of accelerator that has gain much attention in recent years is the Tensor
Processing Unit (TPU). In 2016, Google has announced TPU, its application-specific
integrated circuit, and introduced that TPU has been deployed in Google’s data centers
to accelerate neural network computation.
The design of TPU is based on the fact that matrix multiplication plays a dominant
role in neural network–related computing and uses this operation as a primitive
operation. In the CPU, the basic calculation unit is scalar, so that we can, for example,
add two integers using one single instruction within a cycle. The GPU, on the other hand,
widely utilizes multithreading, and thus the user can add two vectors in a cycle. The TPU
further proposes to finish a matrix operation in one cycle.
A TPU v2 core consists of a Matrix Multiply Unit (MXU) and a Vector Processing Unit
(VPU). The former specializes in matrix multiplication, and the latter takes care of all
other types of tasks, such as activations. The MXU utilizes a systolic array architecture to
enable the single-clock matrix operation. As a result, it can execute up to 128K operations
in one cycle. Google reports that the TPU delivered 15–30X higher performance and
30–80X higher performance per watt than contemporary CPUs and GPUs. Besides, due
to neural networks’ tolerance to errors, TPU also performs quantization to compress
calculation by converting continuous float numbers to discrete ones.

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Utilizing Accelerators
There is no doubt that numerical computing heavily relies on hardware accelerators:
TensorFlow, PyTorch, Julia, MATLAB, etc. They all support multiple types of devices,
including at least the CPU and GPU. In general, there are two methods to do that.
The first, and most widely used, is direct support of the hardware. Take the GPU as
an example. When programming a GPU, Nvidia CUDA is a widely used choice. CUDA is
a parallel computing platform and programming model for computing on Nvidia GPUs.
In TensorFlow, a computation graph is first expressed in Python on the frontend and is
then accordingly built up using the C++ backend. This graph is further optimized and
partitioned onto multiple devices, which can be CPU, GPU, or TPU devices. Each device
invokes the corresponding executor to run the assigned computation on its subgraph.
For TPU device execution, TensorFlow incorporates a compiler and software stack that
translates API calls from TensorFlow computation graphs into TPU instructions. In Julia,
support for Nvidia GPUs is provided by its CUDA.jl package. Built on the CUDA toolkit, it
enables both interfacing with the CUDA API directly and writing CUDA kernels. NumPy
does not support GPUs, but in the vast Python world, there are a lot of GPU-friendly
alternatives, such as Numba, CuPy, etc.
Compared with CUDA, the Open Computing Language (OpenCL) serves as an open
source standard for cross-platform parallel programming and is not limited to Nvidia
GPUs. Therefore, some numerical libraries and software also support it to work on non-
Nvidia GPUs. The StreamExecutor that TensorFlow utilizes to process computation tasks
on a GPU device is actually a unified wrapper around the CUDA and OpenCL runtimes.
Recently, given a growing number of deep learning frameworks and equally growing
number of hardware accelerator platforms, a new approach is to utilize intermediate
representations. For example, the deep learning compiler has gained rapid growth. A
DL compiler takes the model definition described in a deep learning framework and
generates efficient implementation specific to certain target hardware. TVM [10] is one
popular DL compiler that works with a wide range of frameworks and hardware devices.
A closely related idea is an open neural network standard that can be converted to and
from various frameworks and can also be compiled and executed on various hardware.
One such example is the Open Neural Network Exchange (ONNX) format. In summary,
it is a growing trend that the definition of computation can be separated out and the
low-level compilers to deal with optimization, code generation, etc. to pursue best
computation performance. We can think of DL compilers and open standards as the
neck of an hourglass that bridges the gap between two types of ecosystems. In the rest

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of this chapter, based on the latter approach, we propose owl_symbolic, which converts
Owl computation to that of ONNX and can further be executed on various hardware
accelerators.

7.2 Design
Except for the requirement to be executed on accelerators, the development of the
owl_symbolic library is motivated by several other factors. For one thing, scientific
computation can be considered as consisting of two broad categories: numerical
computation and symbolic computation. Owl has achieved a solid foundation in the
former, but as yet to support the latter one, which is heavily utilized in a lot of fields.
Besides, tasks such as visualizing a computation also require some form of
intermediate representation (IR). Owl has already provided a computation graph layer
to separate the definition and execution of computation to improve the performance,
as introduced in Chapter 6, but it’s not an IR layer to perform these different tasks as
mentioned before. Toward this end, we begin to develop an intermediate symbolic
representation of computations and facilitate various tasks based on this symbol
representation.
One thing to note is that do not mistake our symbolic representation as the classic
symbolic computation (or computer algebra system) that manipulates mathematical
expressions in a symbolic way, which is similar to the traditional manual computations.
It is indeed one of our core motivations to pursue the symbolic computation with Owl.
Currently, we provide a symbolic representation layer as the first step toward that target.
More discussion will be added in future versions of the development with the support of
symbolic math in Owl.
The owl_symbolic library is divided into two parts: the core symbolic representation
that constructs a symbolic graph and various engines that perform different tasks based
on the graph. The architecture design of this system is shown in Figure 7-2.

Figure 7-2. Architecture of the symbolic system

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The core abstraction is an independent symbolic representation layer. Based on this

layer, we have built various engines that can be translated to and from this symbolic
representation. Currently, we support three engines: the ONNX binary format, the
computation graph in Owl, and the LaTeX string. The CAS engine is currently still an
ongoing research project, and we envision that, once finished, this engine can be used
to preprocess a symbolic representation so that it has a simplified canonical form before
being processed by other engines.

Core Abstraction
The core part is designed to be minimal and contains only necessary information.
Currently, it has already covered many common computation types, such as math
operations, tensor manipulations, neural network–specific operations such as
convolution, pooling, etc. Each symbol in the symbolic graph performs a certain
operation. Input to a symbolic graph can be constants such as integer, float number,
complex number, and tensor. The input can also be variables with certain shapes. An
empty shape indicates a scalar value. The users can then provide values to the variable
after the symbolic graph is constructed.
Symbol
The symbolic representation is defined mainly as an array of symbol. Each symbol is
a graph node that has an attribution of type Owl_symbolic_symbol.t. It means that we
can traverse through the whole graph by starting with one symbol. Besides symbols, the
name field is the graph name, and node_names contains all the nodes’ names contained in
this graph.

type symbol = Owl_symbolic_symbol.t Owl_graph.node

type t =
  { mutable sym_nodes : symbol array
  ; mutable name : string
  ; mutable node_names : string array
  }

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Let’s look at Owl_symbolic_symbol.t. It defines all the operations contained in the

symbolic representation:

There are totally about 150 operations included in our symbolic representation. Each
operation is implemented as a module. These modules share common attributes such as
names, input operation names, and output shapes, and then each module contains zero
or more attributes of itself. For example, the Sin operation module is implemented as

module Sin = struct

  type t =
    { mutable name : string
    ; mutable input : string array
    ; mutable out_shape : int array option array
    }

let op_type = "Sin"

let create ?name x_name =

    let input = [| x_name |] in
    let name = Owl_symbolic_utils.node_name ?name op_type in
    { name; input; out_shape = [| None |] }
end

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The module provides properties such as op_type and functions such as create that
returns objects of type Sin.t. The name, input, and out_shape are common attributes in
the operation modules.
In implementing the supported operations, we follow the categorization used in
ONNX. These operations can be generally divided into different groups as follows:

• Generators: Operations that generate data, taking no input. For

example, the Int, Float, Tensor, Variable, etc.
• Logical: Logical operations such as Xor.

• Math: Mathematical operations. This group of operations makes a

large part of the total operations supported.

• Neural network: Neural network–related operations such as

convolution and pooling.

• Object detection: Also used in neural networks, but the operations

that are closely related with object detection applications, including
RoiAlign and NonMaxSuppression.

• Reduction: Reduction (or folding) math operations such as

sum reduce.

• RNN: Recurrent neural network–related operations such as LTSM.

• Tensor: Normal tensor operations, like the ones that are included in
the Ndarray module, such as concat, reshape, etc.

• Sequence: Take multiple tensors as one single object called sequence,

and there are different corresponding functions on the sequence type
data, such as SequenceInsert, SequenceLength, etc.

Based on these operation modules, we provide several functions on the Owl_

symbolic_symbol.t type:

• name: Get the name of the operation

• op_type: Get the operation type string

• input: Get the input node name of an operation

• set_input: Update the input node name

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• output: Get the output node name

• set_output: Update the output node name

There are also some functions that only apply to certain types of operations. The
generator type of operations all need to specify the type of data it supports. Therefore,
we use the dtype function to check their data types. Another example is the output
property. For most of the operation, it has only one output, and therefore its name is its
output name. However, for operations such as MaxPool that contains multiple outputs,
we need another function: output.
Type Checking
The type supported by owl_symbolic is listed as follows:

This list of types covers most number and non-number types. Besides, the SNT_SEQ
type is used to compose with these basic types to indicate a list of float number, boolean
value, string, etc.

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Operators
All these operations are invisible to users. What the users really use are the operators. To
build a graph, we first need to build the required attributes into an operation and then put it
into a graph node. This is what an operator does. Take the sin operator as an example:

let sin ?name x =

  let xn = Owl_symbolic_graph.name x in
  let s = Owl_symbolic_ops_math.Sin.create ?name xn in
  make_node (Owl_symbolic_symbol.Sin s) [| x |]

Here, the sin operator takes its parent node x as an input, get its name as an input
property, and create a symbol node with the function make_node. This function takes an
operation and an array of parent symbols and then creates one symbol as a return. What
it does is mainly creating a child node using the given operation as node attribution,
updating the child’s input and output shapes, and then connecting the child with
parents before returning the child node. The connection is on both directions:

connect_ancestors parents [| child |];

let uniq_parents = Owl_utils_array.unique parents in
Array.iter (fun parent -> connect_descendants [| parent |] [| child |])
uniq_parents

Therefore, the users can use the operators to build a graph representation. Here is an
example:

open Owl_symbolic
open Op
open Infix

let x = variable "x_0"

let y = exp ((sin x ** float 2.) + (cos x ** float 2.))
+ (float 10. * (x ** float 2.))
+ exp (pi () * complex 0. 1.)

Here, we start with the variable operator, which creates a placeholder for incoming
data later. You can specify the shape of the variable with the ~shape parameter. If not
specified, then it defaults to a scalar. You can also choose to initialize this variable with a
tensor so that even if you don’t feed any data to the variable, the default tensor value will
be used. A tensor in owl-symbolic is defined as

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type tensor =
  { mutable dtype : number_type
  ; mutable shape : int array
  ; mutable str_val : string array option
  ; mutable flt_val : float array option
  ; mutable int_val : int array option
  ; mutable raw_val : bytes option
  }

A tensor is of a specific type of data, and then it contains the value: string array, float
array, integer array, or bytes. Only one of these fields can be used. If initialized with a
tensor, a variable takes the same data type and shape as that of the tensor.
Naming
Currently, we adopt a global naming scheme, which is to add an incremental index
number after each node’s type. For example, if we have an Add symbol, a Div symbol, and
then another Add symbol in a graph, then each node will be named add_0, div_1, and
add_1. One exception is the variable, where a user has to explicitly name when creating a
variable. Of course, users can also optionally name any node in the graph, but the system
will check to make sure the name of each node is unique. The symbolic graph contains
the node_names field that includes all the nodes’ names in the graph.
Shape Inferencing
One task the symbolic core needs to perform is shape checking and shape
inferencing. Shape inference is performed in the make_node function and therefore
happens every time a user uses an operation to construct a symbolic node and
connect it with previous nodes. It is assumed that the parents of the current node are
already known.

let (in_shapes : int array option array array)=

  Array.map (fun sym_node ->
    Owl_graph.attr sym_node |> Owl_symbolic_symbol.out_shape
  ) parents
  in
let (shape : int array option array) =
  Owl_symbolic_shape.infer_shape in_shapes sym
...

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As the code shows, for each node, we first find the output shapes of its parents. The
in_shape is of type int array option array array. You can understand it this way: int
array is a shape array; int array option means this shape could be None. Then int
array option array is one whole input from the previous parent, since one parent may
contain multiple outputs. Finally, int array option array array includes output from
all parents. The main function Owl_symbolic_shape.infer_shape then infers the output
shape of the current node and saves it to the out_shape property of that symbol.
The infer_shape function itself checks the symbol type and then match with specific
implementation. For example, a large number of operations actually take one parent and
keep its output shape:

let infer_shape input_shapes sym =

  | Sin _ -> infer_shape_01 input_shapes
  | Exp _ -> infer_shape_01 input_shapes
  | Log _ -> infer_shape_01 input_shapes
....

let infer_shape_01 input_shapes =

This pattern infer_shape_01 covers these operations. It simply takes the input shape
and returns the same shape.
There are two possible reasons for the input shape to be None. At first, each node
will be initialized with a None output shape. During shape inference, in certain cases,
the output shape depends on the runtime content of input nodes, not just the shapes of
input nodes and attributions of the current node. In that case, the output shape is set to
None. Once the input shapes contain None, the shape inference results hereafter will all
be None, which means the output shapes cannot be decided at compile time.
Multiple Outputs
Most of the operators are straightforward to implement, but some of them return
multiple symbols. In that case, an operation returns not a node, but a tuple or, when output
numbers are uncertain, an array of nodes. For example, the MaxPool operation returns two
outputs: one is the normal maxpooling result, and the other is the corresponding tensor that
contains indices of the selected values during pooling. Or we have the Split operation that
splits a tensor into a list of tensors, along the specified axis. It returns an array of symbols.

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Engines
Based on this simple core abstraction, we use different engines to provide functionalities:
converting to and from other computation expression formats, print out to human-
readable format, graph optimization, etc. As we have said, the core part is kept minimal.
If the engines require information other than what the core provides, each symbol has an
attr property as an extension point. All engines must follow the following signature:

type t

val of_symbolic : Owl_symbolic_graph.t -> t

val to_symbolic : t -> Owl_symbolic_graph.t
val save : t -> string -> unit
val load : string -> t

It means that each engine has its own core type t, be it a string or another format of
graph, and it needs to convert t to and from the core symbolic graph type or save/load
a type t data structure to a file. An engine can also contain extra functions besides these
four. Now that we have explained the design of owl_symbolic, let’s look at the details of
some engines in the next few sections.

7.3 ONNX Engine
The ONNX engine is the current focus of development in owl_symbolic. ONNX is
a widely adopted Open Neural Network Exchange format. A neural network model
defined in ONNX can be, via suitable converters, run on different frameworks and thus
hardware accelerators. The main target of ONNX is to promote the interchangeability of
neural network and machine learning models, but it is worth noting that the standard
covers a lot of basic operations in scientific computation, such as power, logarithms,
trigonometric functions, etc. Therefore, the ONNX engine serves as a good starting point
for its coverage of operations.
Taking a symbolic graph as input, how would then the ONNX engine produce the
ONNX model? We use the ocaml-protoc, a protobuf compiler for OCaml, as the tool. The
ONNX specification is defined in an onnx.proto file, and the ocaml-protoc can compile
this protobuf files into OCaml types along with serialization functions for a variety

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of encodings. For example, the top-level message type in onnx.proto is ModelProto,

defined as follows:

message ModelProto {
  optional int64 ir_version = 1;
  repeated OperatorSetIdProto opset_import = 8;
  optional string producer_name = 2;
  optional string producer_version = 3;
  optional string domain = 4;
  optional int64 model_version = 5;
  optional string doc_string = 6;
  optional GraphProto graph = 7;
  repeated StringStringEntryProto metadata_props = 14;
};

And the generated OCaml types and serialization function are

open Owl_symbolic_specs.PT

type model_proto =
  { ir_version : int64 option
  ; opset_import : operator_set_id_proto list
  ; producer_name : string option
  ; producer_version : string option
  ; domain : string option
  ; model_version : int64 option
  ; doc_string : string option
  ; graph : graph_proto option
  ; metadata_props : string_string_entry_proto list
  }

val encode_model_proto : Onnx_types.model_proto -> Pbrt.Encoder.t -> unit

Besides the meta-information such as model version, IR version, etc., a model is

mainly a graph, which includes input/output information and an array of nodes. A node
specifies the operator type, input and output node names, and its own attributions, such
as the axis attribution in reduction operations.

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Therefore, all we need is to build up a model_proto data structure gradually from

attributions to nodes, graph, and model. It can then be serialized using encode_model_
proto to generate a protobuf format file, and that is the ONNX model we want.
Besides building up the model, one other task to be performed in the engine is type
checking and type inferencing. For example, the sine function can only accept an input
of float or double number types and generate the same type of input as that of the input.
Each type of operator has its own rules of type checking and inferencing. Starting from
input nodes, which must contain specific type information, this chain if inferencing
can thus verify the whole computation meets the type constraints for each node and
then yield the final output types of the whole graph. The reason that type checking is
performed at the engine side instead of the core is that each engine may have different
type constraints and type inferencing rules for the operators.

Example 1: Basic Operations

Let’s look at several examples of using the ONNX engine, starting with a simple one:

open Owl_symbolic
open Op
open Infix

let x = variable "X"

let y = variable "Y"
let z = exp ((sin x ** float 2.)
+ (cos x ** float 2.))
+ (float 10. * (y ** float 2.))
let g = SymGraph.make_graph [| z |] "sym_graph"
let m = ONNX_Engine.of_symbolic g
let _ = ONNX_Engine.save m "test.onnx"

After including necessary library components, the first three lines of code create a
symbolic representation z using the symbolic operators such as sin, pow, and float. The
x and y are variables that accept user inputs. It is then used to create a symbolic graph.
This step mainly checks if there is any duplication of node names. Then the of_symbolic
function in the ONNX engine takes the symbolic graph as input and generates a model_
proto data structure, which can be further saved as a model named test.onnx.

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To use this ONNX model, we could use any framework that supports ONNX. Here,
we use the Python-based ONNX Runtime as an example. We prepare a simple Python
script as follows:

import numpy as np
import math
import onnxruntime as rt

sess = rt.InferenceSession("test.onnx")
input_name_x = sess.get_inputs()[0].name
input_name_y = sess.get_inputs()[1].name
x = np.asarray(math.pi, dtype="float32")
y = np.asarray(3., dtype="float32")

pred_onx = sess.run(None, {input_name_x: x, input_name_y: y})[0]

print(pred_onx)

This script is very simple: it loads the ONNX model we have just created and then
gets the two input variables and assigns two values to them in the sess.run command.
All the user needs to know in advance is that there are two input variables in this ONNX
model. Note that we could define not only scalar type inputs but also tensor type
variables in owl_symbolic and then assign a NumPy array to them when evaluating.

Example 2: Variable Initialization

We can initialize the variables with tensor values so that these default values are used
even if no data are passed in. Here is one example:

open Owl_symbolic
open Op

let _ =
  let flt_val = [| 1.; 2.; 3.; 4.; 5.; 6. |] in
  let t = Type.make_tensor ~flt_val [| 2; 3 |] in
  let x = variable ~init:t "X" in
  let y = sin x in
  let g = SymGraph.make_graph [| y |] "sym_graph" in
  let z = ONNX_Engine.of_symbolic g in
  ONNX_Engine.save z "test.onnx"
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This computation simply takes an input variable x and then applies the sin
operation. Let’s look at the Python side:

import numpy as np
import onnxruntime as rt

sess = rt.InferenceSession("test.onnx")
pred_onx = sess.run(None, input_feed={})
print(pred_onx[0])

The expected output is

[[ 0.84147096 0.9092974 0.14112 ]
[-0.7568025 -0.9589243 -0.2794155 ]]

Note how the initializer works without users providing any input in the input feed
dictionary. Of course, the users can still provide their own data to this computation,
but the mechanism may be a bit different. For example, in onnx_runtime, using sess.
get_inputs() gives an empty set this time. Instead, you should use get_overridable_
initializers():

input_x = sess.get_overridable_initializers()[0]
input_name_x = input_x.name
input_shape_x = input_x.shape
x = np.ones(input_shape_x, dtype="float32")
pred_onx = sess.run(None, {input_name_x: x})

Example 3: Neural Network

The main purpose of the ONNX standard is to express neural network models, and we
have already covered most of the common operations that are required to construct
neural networks. However, to construct a neural network model directly from existing
owl_symbolic operations requires a lot of details such as input shapes or creating extra
nodes. For example, if we want to build a neural network with operators directly, we
need to write something like

let dnn =
let x = variable ~shape:[| 100; 3; 32; 32 |] "X" in
let t_conv0 = conv ~padding:Type.SAME_UPPER x

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(random_uniform ~low:(-0.138) ~high:0.138 [| 32; 3; 3; 3 |]) in

  let t_zero0 =
    let flt_val = Array.make 32 0. in
    let t = Type.make_tensor ~flt_val [| 32 |] in
    tensor t
  in
  let t_relu0 = relu (t_conv0 + t_zero0) in
  let t_maxpool0, _ = maxpool t_relu0
                              ~padding:VALID
                              ~strides:[| 2; 2 |]
                              [| 2; 2 |] in
  let t_reshape0 = reshape [| 100; 8192 |] t_maxpool0 in
  let t_rand0 = random_uniform ~low:(-0.0011) ~high:0.0011 [| 8192;
512 |] in
  ....

Apparently, that’s too much information for the users to handle. To make things
easier for the users, we create a neural network layer based on existing symbolic
operations. This lightweight layer takes only 180 LoC, and yet it provides an Owl-like
clean syntax for the users to construct neural networks. For example, we can construct
an MNIST-DNN model:

open Owl_symbolic_neural_graph
let nn =
  input [| 100; 3; 32; 32 |]
  |> normalisation
  |> conv2d [| 32; 3; 3; 3 |] [| 1; 1 |]
  |> activation Relu
  |> max_pool2d [| 2; 2 |] [| 2; 2 |] ~padding:VALID
  |> fully_connected 512
  |> activation Relu
  |> fully_connected 10
  |> activation (Softmax 1)
  |> get_network

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let _ =
let onnx_graph = Owl_symbolic_engine_onnx.of_symbolic nn in
Owl_symbolic_engine_onnx.save onnx_graph "test.onnx"

Besides this simple DNN, we have also created the complex architectures such as
ResNet, InceptionV3, SqueezeNet, etc. They are all adapted from existing Owl DNN
models with only a minor change. The execution of the generated ONNX model is
similar:

import numpy as np
import onnxruntime as rt

sess = rt.InferenceSession("test.onnx")
input_name_x = sess.get_inputs()[0].name
input_name_shape = sess.get_inputs()[0].shape
input_x = np.ones(input_name_shape , dtype="float32")
pred_onx = sess.run(None, {input_name_x: input_x})[0]

For simplicity, we generate a dummy input for the execution/inference phase of this
model. Of course, currently, in our model the weight data is not trained. Training of a
model should be completed on a framework such as TensorFlow. Combining trained
weight data into the ONNX model remains to be a future work.
Furthermore, by using tools such as js_of_ocaml, we can convert both examples into
JavaScript; executing them can create the ONNX models, which in turn can be executed
on the browser using ONNX.js that utilizes WebGL. In summary, using ONNX as the
intermediate format for exchange computation across platforms enables numerous
promising directions.

7.4 LaTeX Engine
The LaTeX engine takes a symbolic representation as input and produces LaTeX
strings which can then be visualized using different tools. Its design is simple,
mainly about matching symbol type and projecting it to correct implementation.
Again, let’s look at an example that builds up a symbolic representation of a
( )
calculation exp sin ( x 0 ) + cos ( x 0 ) + 10 × x 02 + exp (π i ) :
2 2

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open Owl_symbolic
open Op
open Infix

let make_expr0 () =
  let x = variable "x_0" in
  let y =
    exp ((sin x ** float 2.) + (cos x ** float 2.))
    + (float 10. * (x ** float 2.))
    + exp (pi () * complex 0. 1.)
  in
  SymGraph.make_graph [| y |] "sym_graph"

This expression can be converted into a corresponding LaTeX string:

# let () = make_expr0 ()
|> LaTeX_Engine.of_symbolic
|> print_endline
\exp(\sin(x_0) ^ 2 + \cos(x_0) ^ 2) + 10 \times x_0 ^ 2 + \exp(\pi \
times 1.00i)

Simply putting it in the raw string form is not very helpful for visualization. We have
built a web UI in this engine that utilizes KaTeX, which renders LaTeX string directly on
a browser. In the following, we use the html function provided by the engine to show this
string on our web UI using the functionality the engine provides:

# let () =
let exprs = [ make_expr0 () ] in
LaTeX_Engine.html ~dot:true ~exprs "example.html"

The generated “example.html” web page is a stand-alone page that contains all the
required scripts. Once opened in a browser, it looks like Figure 7-3.
For each expression, the web UI contains its rendered LaTeX form and
corresponding computation graph.

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Figure 7-3. UI of the LaTeX engine

7.5 Owl Engine
An Owl engine enables converting an Owl computation graph to or from a symbolic
representation. A symbolic graph can thus benefit from the concise syntax and powerful
features such as algorithmic differentiation in Owl.
The conversion between Owl CGraph and the symbolic representation is
straightforward, since both are graph structures. We only need to focus on making the
operation projection between these two systems correct.

let cnode_attr = Owl_graph.attr node in

match cnode_attr.op with
| Sin -> Owl_symbolic_operator.sin ~name sym_inputs.(0)
| Sub -> Owl_symbolic_operator.sub ~name sym_inputs.(0) sym_inputs.(1)

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| SubScalar -> Owl_symbolic_operator.sub ~name sym_inputs.(0) sym_

inputs.(1)
| Conv2d (padding, strides) ->
    let pad =
      if padding = SAME then
        Owl_symbolic_types.SAME_UPPER
      else
        Owl_symbolic_types.VALID
    in
    Owl_symbolic_operator.conv ~name
                               ~padding:pad
                               ~strides
                               sym_inputs.(0)
                               sym_inputs.(1)

The basic idea is simple: find the type of symbol and its input node in CGraph, and
then do the projection to symbolic representation. For most of the math operators such
as sin, the projection is one to one, but that’s not all the cases. For some operations such
as subtraction, we have Sub, SubScalar, ScalarSub, etc. depending on the type of input,
but they can all be projected to the sub operator in symbolic representation. Or for the
convolution operation, we need to first convert the parameters in a suitable way before
the projection.
Let’s look at an example of using the Owl engine:

open Owl_symbolic
module G = Owl_computation_cpu_engine.Make (Owl_algodiff_primal_ops.S)
module AD = Owl_algodiff_generic.Make (G)
module OWL_Engine = Owl_symbolic_engine_owl.Make (G)

let g = make_graph () |> OWL_Engine.to_symbolic

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Here, we build a simple computation graph with the algorithmic differentiation

module in Owl. Then we perform the conversion by calling OWL_Engine.to_symbolic.
We can also chain multiple engines together. For example, we can use the Owl
engine to converge the computation defined in Owl to a symbolic graph, which can then
be converted to an ONNX model and get executed on multiple frameworks. Here is such
an example. A simple computation graph created by make_graph () is processed by two
chained engines and generates an ONNX model.

let _ =
  let k = make_graph ()
          |> OWL_Engine.to_symbolic
          |> ONNX_Engine.of_symbolic
  in
  ONNX_Engine.save k "test.onnx"

And this test.onnx file can further be processed with Python code as introduced in
the previous section.

7.6 Summary
In this chapter, we briefly discussed the topic of supporting hardware accelerators in
Owl. To improve the performance of computation, it is necessary to utilize the power of
hardware accelerators, such as GPU, TPU, etc. It is a growing trend that the definition
and execution of computation can be separated out. To this end, we built a symbolic
representation based on Owl to facilitate exporting computations to other frameworks
that support multiple hardware accelerators. This representation can be executed by
multiple backend engines. Currently, it supports the ONNX, LaTeX, and Owl itself as
engines. This chapter introduced the design of this symbolic representation and used
several examples to demonstrate how the computation in Owl can be executed on other
frameworks or visualized.

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CHAPTER 8

Compiler Backends
For a numerical library, it is always beneficial and challenging to extend to multiple
execution backends. We have seen how we support accelerators such as the GPU by
utilizing a symbolic representation and computation graph standard such as ONNX. In
this chapter, we introduce how Owl can be used on more edge-oriented backends,
including JavaScript and unikernel.

8.1 Base Library
Before we start, we need to understand how Owl enables compiling to multiple
backends by providing different implementations. Owl, as well as many of its external
libraries, is actually divided into two parts: a base library and a core library. The base
library is implemented with pure OCaml. For some backends such as JavaScript, we can
only use the functions implemented in OCaml.
You may wonder how much we will be limited by the base library. Fortunately, the
most advanced modules in Owl are often implemented in pure OCaml, and they live
in the base, which includes the modules we have introduced in the previous chapters:
algorithmic differentiation, optimization, even neural networks, and many others.
Figure 8-1 shows the structure of the core functor stack in Owl.
As we have introduced in Chapter 2, the Ndarray module is the core building block
in Owl. The base library aims to implement all the necessary functions as the core
library Ndarray module. The stack is implemented in such a way that the user can switch
between these two different implementations without the modules of higher layer. In the
Owl functor stack, Ndarray is used to support the computation graph module to provide
lazy evaluation functionality. Here, we use the Owl_base_algodiff_primal_ops module,
which is simply a wrapper around the base Ndarray module. It also includes a small
number of matrix and linear algebra functions. By providing this wrapper instead of

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https://doi.org/10.1007/978-1-4842-8853-5_8
Chapter 8 Compiler Backends

using the Ndarray module directly, we can avoid mixing all the functions in the Ndarray
module and make it a large Goliath.
Next, the algorithmic differentiation can build up its computation module based on
normal ndarray or its lazy version. For example, you can have an AD that relies on the
normal single-precision base ndarray module:

module AD = Owl_algodiff_generic.Make
(Owl_base_algodiff_primal_ops.S)

Or it can be built on a double-precision lazy evaluated core Ndarray module:

module CPU_Engine = Owl_computation_cpu_engine.Make

(Owl_algodiff_primal_ops.D)
module AD = Owl_algodiff_generic.Make (CPU_Engine)

Figure 8-1. Core functor stack in Owl

Going up even further on the stack, we have the more advanced optimization and
neural network modules. They are both based on the AD module. For example, the
following code shows how we can build a neural graph module by layers of functors from
the base Ndarray:

module G = Owl_neural_graph.Make
            (Owl_neural_neuron.Make
              (Owl_optimise_generic.Make
                (Owl_algodiff_generic.Make
                  (Owl_base_algodiff_primal_ops.S))))

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Normally, the users do not have to care about how these modules are constructed
layer by layer, but understanding the functor stack and typing is nevertheless beneficial,
especially when you are creating new module that relies on the base ndarray module.
These examples show that once we have built an application with the core Ndarray
module, we can then seamlessly switch it to base Ndarray without changing anything
else. That means that all the code and examples we have seen so far can be used directly
on different backends that require pure implementation.
The base library is still an ongoing work, and there is still a lot to do. Though the
Ndarray module is a large part in the base library, there are other modules that also need
to be reimplemented in OCaml, such as the linear algebra module. We need to add more
functions such as SVD factorization. Even for the Ndarray itself, we still have not totally
covered all the functions yet.
Our strategy is to add the base Ndarray functions gradually. We put most of
the signature files in the base library, and the core library signature file includes its
corresponding signature file from the base library, plus functions that are currently
unique to the core library. The target is to total coverage so that the core and base
libraries provide exactly the same functions.
As can be expected, the pure OCaml implementation normally performs worse than
the C code implemented version. For example, for the convolution operation, without
the help of optimized routines from OpenBLAS, etc., we can only provide the naive
implementation that includes multiple for-loops. Its performance is orders of magnitude
slower than the core library version. Currently, our priority is to implement the
functions themselves instead of caring about function optimization, nor do we intend to
outperform C code with pure OCaml implementation.

8.2 Backend: JavaScript
At first glance, JavaScript has very little to do with high-performance scientific
computing. One important reason we aim to include that in Owl is that the web
browser is arguably the most widely deployed technology on various edge devices, for
example, mobile phones, tablets, laptops, etc. More and more functionalities are being
pushed from data centers to edge for reduced latency, better privacy, and security. And
JavaScript applications running in a browser are getting more complicated and powerful.
Moreover, JavaScript interpreters are being increasingly optimized, and even relatively
complicated computational tasks can run with reasonable performance.

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This chapter uses two simple examples to demonstrate how to compile Owl
applications into JavaScript code so that you can deploy the analytical code into
browsers, using both native OCaml code and Facebook Reason. It additionally requires
the use of dune, a build system designed for OCaml/Reason projects. As you will see, this
will make the compilation to JavaScript effortless.

Native OCaml
We rely on the tool js_of_ocaml to convert native OCaml code into JavaScript. Js_of_
ocaml is a compiler from OCaml bytecode programs to JavaScript. The process can
thus be divided into two phases: first, compile the OCaml source code into bytecode
executables, and then apply the js_of_ocaml command to it. It supports the core
Bigarray module among most of the OCaml standard libraries. However, since the Sys
module is not fully supported, we are careful to not use functions from this module in
the base library.
We have described how algorithmic differentiation plays a core role in the ecosystem
of Owl, so now we use an example of AD to demonstrate how we convert a numerical
program into JavaScript code and then get executed. The example is about optimizing
the mathematical function sin. The first step is writing down our application in OCaml
as follows, then save it into a file demo.ml.

module AlgodiffD = Owl_algodiff_generic.Make

(Owl_base_algodiff_primal_ops.D)
open AlgodiffD

let rec desc ?(eta=F 0.01) ?(eps=1e-6) f x =

    let g = (diff f) x in
    if (unpack_flt g) < eps then x
    else desc ~eta ~eps f Maths.(x - eta * g)

let _ =
    let f = Maths.sin in
    let y = desc f (F 0.1) in
    Owl_log.info "argmin f(x) = %g" (unpack_flt y)

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The code is very simple: the desc defines a gradient descent algorithm, and then we
use desc to calculate the minimum value of the Maths.sin function. In the end, we print
out the result using the Owl_log module’s info function. Note that we pass in the base
Ndarray module to the AD functor to create a corresponding AD module.
In the second step, we need to create a dune file as follows. This file will instruct how
the OCaml code will be first compiled into bytecode and then converted into JavaScript
by calling js_of_ocaml.

(executable
  (name demo)
  (modes byte js)
  (libraries owl-base))

With these two files in the same folder, we can then run the following command in
the terminal:

dune build demo.bc && js_of_ocaml _build/default/demo.bc

Or even better, since js_of_ocaml is natively supported by dune, we can simply

execute:

dune build

The command builds the application and generates a demo.bc.js in the _build/
default/ folder. Finally, we can run the JavaScript using Node.js (or loading into a
browser using an appropriate HTML page).

node _build/default/demo.bc.js

As a result, we should be able to see the output result showing a value that minimizes
the sin function and should be similar to

argmin f(x) = -1.5708

Even though we present a simple example here, the base library can be used to
produce more complex and interactive browser applications.

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Facebook Reason
Facebook Reason leverages OCaml as a backend to provide type-safe JavaScript. It is
gaining its momentum and becoming a popular choice of developing web applications.
It actually uses another tool, BuckleScript, to convert the Reason/OCaml code to
JavaScript. Since Reason is basically a syntax layer built on top of OCaml, it is very
straightforward to use Owl in Reason to develop advanced numerical applications.
In this example, we use reason code to manipulate multidimensional arrays, the core
data structure in Owl. First, we save the following code into a reason file called demo.re.
Note the suffix is .re now. It includes several basic math and Ndarray operations in Owl.

open! Owl_base;

/* calculate math functions */

let x = Owl_base_maths.sin(5.);
Owl_log.info("Result is %f", x);

/* create random ndarray then print */

  let y = Owl_base_dense_ndarray.D.uniform([|3,4,5|]);
  Owl_base_dense_ndarray.D.set(y,[|1,1,1|],1.);
  Owl_base_dense_ndarray.D.print(y);

/* take a slice */

let z = Owl_base_dense_ndarray.D.get_slice([[],[],[0,3]],y);
Owl_base_dense_ndarray.D.print(z);

The preceding code is simple. It creates a random ndarray, takes a slice, and then
prints them out. The Owl library can be seamlessly used in Reason. Next, instead of
using Reason’s own translation of this frontend syntax with bucklescript, we still turn to
js_of_ocaml for help. Let’s look at the dune file, which turns out to be the same as that in
the previous example:

  (executable
   (name demo)
   (modes js)
   (libraries owl-base))

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As in the previous example, you can then compile and run the code with the
following commands:

dune build
node _build/default/demo.bc.js

As you can see, except that the code is written in different languages, the rest of the
steps are identical in both example thanks to js_of_ocaml and dune.

8.3 Backend: MirageOS
Besides JavaScript, another choice of backend we aim to support is the MirageOS. It
is an approach to build unikernels. A unikernel is a specialized, single address space
machine image constructed with library operating systems. Unlike a normal virtual
machine, it only contains a minimal set of libraries required for one application. It can
run directly on a hypervisor or hardware without relying on operating systems such as
Linux and Windows. The unikernel is thus concise and secure, and extremely efficient
for distribution and execution on either cloud or edge devices.
MirageOS is one solution to building unikernels. It utilizes the high-level language
OCaml and a runtime to provide an API for operating system functionalities. In using
MirageOS, the users can think of the Xen hypervisor as a stable hardware platform,
without worrying about the hardware details such as devices. Furthermore, since
the Xen hypervisor is widely used in platforms such as Amazon EC2 and Rackspace
Cloud, MirageOS-built unikernel can be readily deployed on these platforms. Besides,
benefiting from its efficiency and security, MirageOS also aims to form a core piece of the
Nymote/MISO tool stack to power the Internet of Things.

Example: Gradient Descent

Since MirageOS is based around the OCaml language, we can safely integrate the Owl
library with it. To demonstrate how we use MirageOS as a backend, we again use the
previous algorithmic differentiation–based optimization example. Before we start, please
make sure to follow the installation instruction of the MirageOS. Let’s look at the code:

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module A = Owl_algodiff_generic.Make
(Owl_algodiff_primal_ops.S)
open A

let rec desc ?(eta=F 0.01) ?(eps=1e-6) f x =

  let g = (diff f) x in
  if (unpack_flt (Maths.abs g)) < eps then x
  else desc ~eta ~eps f Maths.(x - eta * g)

let main () =
  let f x = Maths.(pow x (F 3.) - (F 2.) *
    pow x (F 2.) + (F 2.)) in
  let init = Stats.uniform_rvs ~a:0. ~b:10. in
  let y = desc f (F init) in
  Owl_log.info "argmin f(x) = %g" (unpack_flt y)

This part of the code is mostly the same as before. By applying the diff function of
the algorithmic differentiation module, we use the gradient descent method to find the
value that minimizes the function x3 − 2x2 + 2. Then we need to add something different:

module GD = struct
let start = main (); Lwt.return_unit
end

Here, the start is an entry point to the unikernel. It performs the normal OCaml
function main and then returns an Lwt thread that will be evaluated to unit. Lwt is a
concurrent programming library in OCaml. It provides the “promise” data type that can
be determined in the future.
All the preceding code is written to a file called gd_owl.ml. To build a unikernel,
next we need to define its configuration. In the same directory, we create a file called
configure.ml:

open Mirage

let main =
  foreign
    ~packages:[package "owl"]
    "Gd_owl.GD" job

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let () =
register "gd_owl" [main]

It’s not complex. First, we need to open the Mirage module. Then we declare a
value main (or you can name it any other name). It calls the foreign function to specify
the configuration. First, in the package parameter, we declare that this unikernel
requires the Owl library. The next string parameter “Gd_owl.GD” specifies the name
of the implementation file and in that file the module GD that contains the start entry
point. The third parameter job declares the type of devices required by a unikernel,
such as network interfaces, network stacks, file systems, etc. Since here we only do the
calculation, there is no extra device required, so the third parameter is a job. Finally, we
register the unikernel entry file gd_owl with the main configuration value.
That’s all it takes for coding. Now we can take a look at the compiling part. MirageOS
itself supports multiple backends. The crucial choice therefore is to decide which one
to use at the beginning by using mirage configure. In the directory that holds the
previous two files, you run mirage configure -t unix, and it configures to build the
unikernel into a Unix ELF binary that can be directly executed. Or you can use mirage
configure -t xen, and then the resulting unikernel will use the hypervisor backend like
Xen or KVM. Either way, the unikernel runs as a virtual machine after starting up. In this
example, we choose to use Unix as backends. So we run

mirage configure -t unix

This command generates a Makefile based on the configuration information. It

includes all the building rules. Next, to make sure all the dependencies are installed, we
need to run

make depend

Finally, we can build the unikernels by simply running

make

and it calls the mirage build command. As a result, now the current directory contains
the _build/gd_owl.native executable, which is the unikernel we want. Executing it
yields a similar result as before:

argmin f(x) = 1.33333

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Example: Neural Network

As a more complex example, we have also built a simple neural network to perform the
MNIST handwritten digit recognition task with MirageOS:

module N = Owl_base_algodiff_primal_ops.S

module NN = Owl_neural_generic.Make (N)
open NN
open NN.Graph
open NN.Algodiff

let make_network input_shape =

  input input_shape
  |> lambda (fun x -> Maths.(x / F 256.))
  |> fully_connected 25 ~act_typ:Activation.Relu
  |> linear 10 ~act_typ:Activation.(Softmax 1)
  |> get_network

This neural network has two hidden layers, has a small weight size (146KB), and
works well in testing (92% accuracy). We can write the weight into a text file. This file is
named simple_mnist.ml, and similar to the previous example, we can add a unikernel
entry point function in the file:

module Main = struct

let start = infer (); Lwt.return_unit
end

Here, the infer function creates a neural network, loads the weight, and then
performs inference on an input image. We also need a configuration file. Again, it’s
mostly the same:

open Mirage

let main =
  foreign
    ~packages:[package "owl-base"]
   "Simple_mnist.Main" job

let () =
register "Simple_mnist" [main]

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Figure 8-2. Performance of map and fold operations on ndarray on a laptop and
Raspberry Pi

Once compiled to MirageOS unikernel with Unix backends, the generated binary is
10MB. You can also try compiling this application to JavaScript.
By these examples, we show that the Owl library can be readily deployed into
unikernels via MirageOS. The numerical functionality can then greatly enhance the
express ability of possible OCaml-MirageOS applications. Of course, here we cannot
cover all the important topics about MirageOS; please refer to the documentation of
MirageOS and Xen Hypervisor for more information.

8.4 Evaluation
In this section, we mainly compare the performance of different backends. Specifically,
we observe three representative groups of operations: (1) map and fold operations on
ndarray; (2) using gradient descent, a common numerical computing subroutine, to
get argmin of a certain function; (3) conducting inference on complex DNNs, including
SqueezeNet and a VGG-like convolution network. The evaluations are conducted on
a ThinkPad T460S laptop with an Ubuntu 16.04 operating system. It has an Intel Core
i5-6200U CPU and 12GB RAM.
The OCaml compiler can produce two kinds of executables: bytecode and native.
Native executables are compiled for specific architectures and are generally faster, while
bytecode executables have the advantage of being portable.
For JavaScript, we use the js_of_ocaml approach as described in the previous
sections. Note that for convenience we refer to the pure implementation of OCaml and
the mix implementation of OCaml and C as base-lib and owl-lib separately, but they
are in fact all included in the Owl library. For Mirage compilation, we use both libraries.

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Figure 8-2 shows the performance of map and fold operations on ndarray. We use
simple functions such as plus and multiplication on 1-d (size <1, 000) and 2-d arrays.
The log-log relationship between the total size of ndarray and the time each operation
takes keeps linear. For both operations, owl-lib is faster than base-lib, and native
executables outperform bytecode ones. The performance of Mirage executives is close to
that of native code. Generally, JavaScript runs the slowest, but note how the performance
gap between JavaScript and the others converges when the ndarray size grows. For the
fold operation, JavaScript even runs faster than bytecode when size is sufficiently large.
Note that for the fold operation, there is an obvious increase in time used at around
input size of 103 for fold operations, while there is no such change for the map operation.
That is because I change the input from one-dimensional ndarray to two-dimensional
starting that size. This change does not affect the map operation, since it treats an input
of any dimension as a one-dimensional vector. On the other hand, the fold operation
considers the factor of dimension, and thus its performance is affected by this change.
In Figure 8-3, we want to investigate if the preceding observations still hold in more
complex numerical computation. We choose to use a gradient descent algorithm to
find the value that locally minimizes a function. We choose the initial value randomly
between [0, 10]. For both sin(x) and x3 − 2x2 + 2, we can see that JavaScript runs the
slowest, but this time the base-lib slightly outperforms owl-lib.
We further compare the performance of DNN, which requires large amount of
computation. We compare SqueezeNet and a VGG-like convolution network. They have
different sizes of weight and network structure complexities.
Table 8-1 shows that though the performance difference between owl-lib and
base-lib is not obvious, the former is much better. So is the difference between native
and bytecode for base-lib. JavaScript is still the slowest. The core computation required
for DNN inference is the convolution operation. Its implementation efficiency is the
key to these differences. Currently, we are working on improving its implementation in
base-lib.

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Figure 8-3. Performance of gradient descent on function f

Table 8-1. Inference Speed of Deep Neural Networks

Time (ms) VGG SqueezeNet

owl-native 7.96 (± 0.93) 196.26(± 1.12)

owl-byte 9.87 (± 0.74) 218.99(± 9.05)
base-native 792.56(± 19.95) 14470.97 (± 368.03)
base-byte 2783.33(± 76.08) 50294.93 (± 1315.28)
mirage-owl 8.09(± 0.08) 190.26(± 0.89)
mirage-base 743.18 (± 13.29) 13478.53 (± 13.29)
JavaScript 4325.50(± 447.22) 65545.75 (± 629.10)

We have also conducted the same evaluation experiments on Raspberry Pi 3 Model B.

Figure 8-2c shows the performance of the fold operation on ndarray. Besides the fact that
all backends run about one order of magnitude slower than that on the laptop, previous
observations still hold. This figure also implies that, on resource-limited devices such as
Raspberry Pi, the key difference is between native code and bytecode, instead of owl-lib
and base-lib for this operation.

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Finally, we also briefly compare the size of executables generated by different

backends. We take the SqueezeNet, for example, and the results are shown in Table 8-2.
It can be seen that owl-lib executives have larger size compared to base-lib ones, and
JavaScript code has the smallest file size. There does not exist a dominant method of
deployment for all these backends. It is thus imperative to choose a suitable backend
according to the deployment environment.

Table 8-2. Size of Executables Generated by Backends

Size (KB) Native Bytecode Mirage JavaScript

Base 2437 4298 4602 739

Native 14,875 13,102 16,987 -

8.5 Summary
The base library in Owl was separated from the core module mainly to accommodate
multiple possible execution backends. This chapter introduced how the base module
works. Then we showed two possible backends: the JavaScript and the unikernel virtual
machine. Both backends are helpful to extend the application of Owl to more devices.
Finally, we used several examples to demonstrate how these backends are used and their
performances.

Composition
and Deployment
In this chapter, we first present Zoo, a script subsystem we have originally developed for
OCaml file sharing. We will introduce how it is used and its design. Based on this system,
we discuss the problem of computation composition and deployment in a numerical
library.

9.1 Script Sharing with Zoo

The core functionality of the Zoo is simple: sharing OCaml scripts. It is known that we
can use OCaml as a scripting language as Python (at certain performance cost because
the code is compiled into bytecode). Even though compiling into native code for
production use is recommended, scripting is still useful and convenient, especially for
light deployment and fast prototyping. In fact, the performance penalty in most Owl
scripts is almost unnoticeable because the heaviest numerical computation part is still
offloaded to Owl which runs native code.
While designing Owl, our goal is always to make the whole ecosystem open, flexible,
and extensible. Programmers can make their own “small” scripts and share them with
others conveniently, so they do not have to wait for such functions to be implemented in
Owl’s master branch or submit something “heavy” to OPAM.

Example
To illustrate how to use Zoo, let’s start with a simple synthetic scenario. Alice is a data
analyst and uses Owl in her daily job. One day, she realized that the functions she
needed had not been implemented yet in Owl. Therefore, she spent an hour in her

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L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_9
Chapter 9 Composition and Deployment

computer and implemented these functions by herself. She thought these functions
might be useful to others, for example, her colleague Bob; she decided to share these
functions using the Zoo system. Now let’s see how Alice manages to do so in the
following, step by step.
First, Alice needs to create a folder (e.g., myscript folder) for her shared script. What
to put in the folder then? She needs at least two files in this folder. The first one is of
course the file (i.e., coolmodule.ml) implementing the function as follows. The function
sqr_magic returns the square of a magic matrix; it is quite useless in reality but serves as
an example here.

#!/usr/bin/env owl

open Owl
let sqr_magic n = Mat.(magic n |> sqr)

The second file she needs is a #readme.md which provides a brief description of the
shared script. Note that the first line of the #readme.md will be used as a short description
for the shared scripts. This short description will be displayed when you use the owl
-list command to list all the available Zoo code snippets on your computer.

Square of Magic Matrix

`Coolmodule` implements a function to generate the square of magic

matrices.

Second, Alice needs to distribute the files in the myscript folder. The distribution is
done via Gist, so you must have gist installed on your computer. For example, if you use
Mac, you can install gist with brew install gist. Owl provides a simple command-
line tool to upload the Zoo code snippets. Note that you need to log in to your GitHub
account for gist and git.

owl -upload myscript

The owl -upload command simply uploads all the files in myscript as a
bundle to your Gist page. The command also prints out the URL after a successful
upload. The bundle Alice uploaded before is assigned a unique id, that is,
9f0892ab2b96f81baacd7322d73a4b08. In order to use the sqr_magic function, Bob only
needs to use the #zoo directive in his script, for example, bob.ml, in order to import the
function.

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#!/usr/bin/env owl
#zoo "9f0892ab2b96f81baacd7322d73a4b08"

let _ = Coolmodule.sqr_magic 4 |> Owl.Mat.print

Bob’s script is very simple, but there are a couple of things worth pointing out:

• The Zoo system will automatically download the bundle of a given id

if it is not cached locally.
• All the ml files in the bundle will be imported as modules, so you
need to use Coolmodule.sqr_magic to access the function.

• You may also want to use chmod +x bob.ml to make the script
executable. This is obvious if you are a heavy terminal user.

Note that to use the #zoo directive in REPL such as utop, you need to manually load
the owl-zoo library with #require "owl-zoo";;. Alternatively, you can also load owl-
top using #require "owl-top";; which is an OCaml top-level wrapper of Owl. If you
want to make utop, load the library automatically by adding this line to ~/.ocamlinit.

Version Control
Alice has modified and uploaded her scripts several times. Each version of her code is
assigned a unique version id. Different versions of code may work differently, so how
could Bob specify which version to use? The good news is that he barely needs to change
his code.

#!/usr/bin/env owl
#zoo "9f0892ab2b96f81baacd7322d73a4b08?
vid=71261b317cd730a4dbfb0ffeded02b10fcaa5948"

let _ = Coolmodule.sqr_magic 4 |> Owl.Mat.print

The only thing he needs to add is a version id using the parameter vid. The naming
scheme of Zoo is designed to be similar with the field-value pair in a RESTful query. The
version id can be obtained from a gist’s revisions page.
Besides specifying a version, it is also quite possible that Bob prefers to use the
newest version Alice provides, whatever its id may be. The problem here is that, how
often does Bob need to contact the Gist server to retreat the version information? Every

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time he runs his code? Well, that may not be a good idea in many cases considering the
communication overhead and response time. Zoo caches gists locally and tends to use
the cached code and data rather than downloading them all the time.
To solve this problem, Zoo provides another parameter in the naming scheme: tol.
It is the threshold of a gist’s tolerance of the time it exists on the local cache. Any gist that
exists on a user’s local cache for longer than tol seconds is deemed outdated and thus
requires updating the latest vid information from the Gist server before being used. For
example:

#!/usr/bin/env owl
#zoo "9f0892ab2b96f81baacd7322d73a4b08?tol=300"

let _ = Coolmodule.sqr_magic 4 |> Owl.Mat.print

By setting the tol parameter to 300, Bob indicates that if Zoo has already fetched
the version information of this gist from the remote server within the past 300 seconds,
then keep using its local cache; otherwise, contact the Gist server to check if a newer
version is pushed. If so, the newest version is downloaded to local cache before being
used. In the case where Bob doesn’t want to miss every single update of Alice’s gist code,
he can simply set tol to 0, which means fetching the version information every time he
executes his code. The vid and tol parameters enable users to have fine-grained version
control of Zoo gists. Of course, these two parameters should not be used together. When
vid is set in a name, the tol parameter will be ignored. If both are not set, as shown in the
previous code snippet, Zoo will use the latest locally cached version if it exists.
A user can either choose a specific version id or use the latest version, which
means the newest version on local cache. Obviously, using latest introduces cache
inconsistency. The latest version on one machine might not be the same on the other. To
get the up-to-date version from a Gist server, the download time of the latest version on a
local machine will be saved as metadata. The newest version on the server will be pulled
to the local cache after a certain period of time, if the latest flag is set in the Gist name.
Ideally, every published service should contain a specific version id, and latest should
only be used during development.

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9.2 Service Deployment and Composition

Based on the Zoo system, in the rest of this chapter, we discuss the computation service
deployment and composition problem. First, let’s briefly present some background.
Recently, computation on edge and mobile devices has gained rapid growth in both the
industry and academia, such as personal data analytics in the home, DNN application
on a tiny stick, semantic search and recommendation on a web browser [53], etc.
HUAWEI has identified speed and responsiveness of native AI processing on mobile
devices as the key to a new era in smartphone innovation. Many challenges arise when
moving machine learning (ML) analytics from cloud to edge devices.
One problem is not yet well defined and investigated: model composition. Training
a model often requires large datasets and rich computing resources, which are often
not available to normal users. That is one of the reasons that they are bound to the
models and services provided by large companies. To this end, we propose the idea of
composable service. Its basic idea is that many services can be constructed from basic
ones such as image recognition, speech-to-text, and recommendation to meet new
application requirements. Modularity and composition will be the key to increasing
usage of ML-based data analytics.
Composing components into a more complex entity is not uncommon to see in the
computer science. One such example is the composition of web services. A web service
is a software application that is identified by a URI and supports machine-to-machine
interaction over a network. Messages in formats such as XML and JSON are transferred
among web services according to their prescribed interfaces. The potential of the
web service application architecture lies in that the developers can compose multiple
services and build a larger application via the network. In web service composition,
one problem is to select proper participant services so that they can work together
properly. A lot of research effort has been made on composition methods that consider
information such as interfaces, message types, and dynamic message sequences
exchanged.
A similar paradigm is the microservices architecture. With this architecture, a large
monolithic software application should be decomposed into small components, each
with distinct functionalities. These components can communicate with each other
via predefined APIs. This approach provides multifolds of benefits, such as module
reusability, service scalability, fault isolation, etc. Many companies, such as Netflix, have
successfully adopted this approach. In the composition of different microservices, the

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application API plays a key role.1 Another field that advocates the composition approach
is the serverless computing, where the stateless functions can be composed into more
complex ones. Based on the observation that existing serverless systems spend a large
portion of time on booting function containers and interaction between functions,
the SAND system investigates the combination of different functions. By proposing
application-level sandboxing and a hierarchical message bus, this system reduces
latency and improves resource utility.
In this chapter, as a contribution, the Zoo system provides a small domain-specific
language (DSL) to enable the composition of advanced data analytics services.
Benefiting from OCaml’s powerful type system, the Zoo provides type checking for the
composition. Besides, the Zoo DSL supports fine-grained version control in composing
different services provided by different developers, since the code of these services may
be in constant change.
Another challenge in conducting ML-based data analytics on edge devices is the
deployment of data analytics services. Most existing machine learning frameworks, such
as TensorFlow and Caffe, focus mainly on the training of analytics models. On the other
hand, end users, many of whom are not ML professionals, mainly use trained models to
perform inference. This gap between the current ML systems and users’ requirements is
growing.
The deployment of service is close to the idea of model serving. The Clipper [13]
serving system is used for ML model–based prediction, and it features choosing the
model that has the lowest latency from models on multiple ML frameworks. It enables
users to access models based on multiple machine learning frameworks. These models
are implemented in the form of containers. Compared with Clipper, the TensorFlow
Serving focuses on using TensorFlow itself as a model execution framework. The models
are in the form of SavedModel, and they can be deployed as a container that contains
TensorFlow to serve prediction requests. Another field that employs the idea of service
deployment is in the serverless computing. In serverless platforms such as Amazon
Lambda and OpenLambda, utilizing the powerful ecosystem of existing cloud providers,
the stateless functions provided by users can be deployed on different types of devices to
get access to resources such as database and cloud files. For this aspect, as a contribution,
the Zoo DSL also involves deploying composed services to multiple backends: not only
containers but also unikernels and JavaScripts. We have discussed them in Chapter 8.

1
Engineering Trade-Offs and The Netflix API Re-Architecture. The Netflix Tech Blog. https://
bit.ly/3evFz9g

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9.3 System Design
Based on these basic functionalities, we extend the Zoo system to address the
composition and deployment challenges. Specifically, we design a small DSL to enable
script sharing, type-checked composition of different data analytics services with version
control, and deployment of services to multiple backends. First, we would like to briefly
introduce the workflow of Zoo as shown in Figure 9-1. The workflow consists of two
parts: development on the left side and deployment on the right.

Figure 9-1. Zoo system architecture

Development concerns the design of interaction workflow and the computational

functions of different services. One basic component is the Gist. By using Zoo, a normal
Gist script will be loaded as a module in OCaml. To compose functionalities from
different Gists only requires a developer to add one configuration file to each Gist.
This file is in JSON format. It consists of one or more name-value pairs. Each pair is a
signature for a function the script developer wants to expose as a service. These Gists
can be imported and composed to make new services. When a user is satisfied with the
result, they can save the new service as another Zoo Gist.
Deployment takes a Gist and creates models in different backends. These models
can be published and deployed to edge devices. It is separated from the logic of
development. Basic services and composed ones are treated equally. Besides, users can
move services from being local to remote and vice versa, without changing the structure

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of the constructed service. Deployment is not limited to edge devices, but can also be on
cloud servers, or a hybrid of both cases, to minimize the data revealed to the cloud and
the associated communication costs. Thus, by this design, a data analytics service can
easily be distributed to multiple devices. In the rest of this section, we will elaborate on
the design and give details of different parts of this workflow.

Service
Gist is a core abstraction in Zoo. It is the center of code sharing. However, to compose
multiple analytics snippets, Gist alone is insufficient. For example, it cannot express the
structure of how different pieces of code are composed together. Therefore, we introduce
another abstraction: service.
A service consists of three parts: Gists, types, and the dependency graph. A Gist is the
list of Gist ids this service requires. Types are the parameter types of this service. Any
service has zero or more input parameters and one output. This design follows that of
an OCaml function. A dependency graph is a graph structure that contains information
about how the service is composed. Each node in it represents a function from a Gist and
contains the Gist’s name, id, and a number of parameters of this function.
Zoo provides three core operations about a service: create, compose, and publish.
The create_service creates a dictionary of services given a Gist id. This operation reads
the service configuration file from that Gist and creates a service for each function
specified in the configuration file. The compose_service provides a series of operations to
combine multiple services into a new service. A compose operation does type checking
by comparing the “types” field of two services. An error will be raised if incompatible
services are composed. A composed service can be saved to a new Gist or be used for
further composition. The publish_service makes a service’s code into such forms that
can be readily used by end users. Zoo is designed to support multiple backends for these
publication forms. Currently, it targets the Docker container, JavaScript, and MirageOS
[37] as backends.

Type Checking
As mentioned in Section 9.3, one of the most important tasks of service composition is
to make sure the type matches. For example, suppose there is an image analytics service
that takes a PNG format image, and if we connect to it another one that produces a
JPEG image, the resulting service will only generate meaningless output for data type
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mismatch. OCaml provides primary types such as integer, float, string, and Boolean.
The core data structure of Owl is ndarray. However, all these types are insufficient for
high-level service type checking as mentioned. That motivates us to derive richer high-
level types.
To support this, we use generalized algebraic data types (GADTs) in OCaml. There
already exist several model collections on different platforms, for example, Caffe and
MXNet. I observe that most current popular deep learning models can generally be
categorized into three fundamental types: image, text, and voice. Based on them, we
define subtypes for each: PNG and JPEG images, French and English text, and voice, that
is, png img, jpeg img, fr text, en text, fr voice, and en voice types. More can be
further added easily in Zoo. Therefore, type checking in OCaml ensures type-safe and
meaningful composition of high-level deep learning services.

D
SL
Zoo provides a minimal DSL for service composition and deployment.
Composition: To acquire services from a Gist of id gid, we use $gid to create a
dictionary, which maps from service name strings to services. I implement the dictionary
data structure using Hashtbl in OCaml. The # operator is overloaded to represent the
“get item” operation. Therefore

$gid#sname

can be used to get a service that is named “sname.” Now suppose we have n services: f1,
f2, …, fn. Their outputs are of type tf1, tf2, …, tfn. Each service s accepts ms input parameters,
which have type t s1 , t s2 , …, t sms . Also, there is a service g that takes n inputs, each of

them has type t 1g , t g2 , …, t gn . Its output type is to. Here, Zoo provides the $> operator to

compose a list of services with another:

[ f1 ,f 2 ,.…,fn ]$ > g
n
This operation returns a new service that has ∑m
s =1
s inputs and is of output type to.

This operation does type checking to make sure that t fi = t gi ,∀i ∈1,2 ,…,n .
Deployment: Taking a service s, be it a basic or composed one, it can be deployed
using the following syntax:
s$@ backend
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The $@ operator publishes services to a certain backend. It returns a string of URI of

the resources to be deployed.
Note that the $> operator leads to a tree structure, which is in most cases sufficient
for our real-world service deployment. However, a more general operation is to support
a graph structure. This will be my next-step work.

Service Discovery
The services require a service discovery mechanism. For simplicity’s sake, each newly
published service is added to a public record hosted on a server. The record is a list
of items, and each item contains the following: a Gist id that the service is based on; a
one-line description of this service; a string representing the input and output types
of this service, such as “image → int → string → text,”; a service URI. For the container
deployment, the URI is a Docker Hub link, and for the JavaScript backend, the URI is a
URL link to the JavaScript file itself. The service discovery mechanism is implemented
using an off-the-shelf database.

9.4 Use Case
To illustrate the preceding workflow, let us consider a synthetic scenario. Alice is a
French data analyst. She knows how to use ML and DL models on existing platforms,
but is not an expert. Her recent work is about testing the performance of different image
classification neural networks. To do that, she needs to first modify the image using the
DNN-based Neural Style Transfer (NST) algorithm. NST takes two images and outputs to
a new image, which is similar to the first image in content and the second in style. This
new image should be passed to an image classification DNN for inference. Finally, the
classification result should be translated to French. She does not want to put academic-
related information on Google’s server, but she cannot find any single pretrained model
that performs this series of tasks.
Here comes the Zoo system to help. Alice finds Gists that can do image recognition,
NST, and translation separately. Even better, she can perform image segmentation to
greatly improve the performance of NST using another Gist. All she has to provide is
some simple code to generate the style images she needs to use. She can then assemble
these parts together easily using Zoo.

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open Zoo
(* Image classification *)
let s_img = $ "aa36e" # "infer";;
(* Image segmentation *)
let s_seg = $ "d79e9" # "seg";;
(* Neural style transfer *)
let s_nst = $ "6f28d" # "run";;
(* Translation from English to French *)
let s_trans = $ "7f32a" # "trans";;
(* Alice's own style image generation service *)
let s_style = $ alice_Gist_id # "image_gen";;

(* Compose services *)
let s = [s_seg; s_style] $> s_nst
$> n_img $> n_trans;;
(* Publish to a new Docker Image *)
let pub = (List.hd s) $@
(CONTAINER "alice/image_service:latest");;

Note that the Gist id used in the code is shortened from 32 digits to 5 due to column
length limit. Once Alice creates the new service and publishes it as a container, she can
then run it locally, send a request with image data to the deployed machine, and get
image classification results back in French.

9.5 Discussion
One thing to note is that, in service composition, type checking is a nice property
to have, but not the only one. From web services to microservices, the industry and
researchers have studied the composition issue for years. Besides checking the static
information such as message types, interfaces, etc., sometimes the dynamic behavior
between services should also be checked. It is the same in our data analytics services
composition scenario.
For example, the Generative Adversarial Network (GAN) is a huge family of
networks. A GAN consists of two parts: generator and discriminator. The generator tries
its best to synthesize images based on existing parameters. The discriminator takes the

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images produced by the generator and tries its best to separate the generated data from
true data, using a Boolean or percentage value. This mutual deception process is iterated
until the discriminator can no longer tell the difference between the generated data
and the true data. Using Zoo, the users may want to compose a generator with different
discriminators to see which combination produces the most trustworthy fake images.
To do this, only matching the types of these two services is not enough. The users also
need to specify the dynamic information such as the order and number and messages
exchanged in between.
To solve this problem, some kind of formalisms may need to be introduced in
as theoretical foundation to structure interaction and reason over communicating
processes between services. One such option is the session types [31]. Session types are
a type discipline for communication-centric programming. It is based on the π-calculi,
and its basic idea is that the communication protocol can be described as a type, which
can be checked at runtime or statically. The session types have gained much attention
recently and are already implemented in multiple languages, including OCaml. This
approach can effectively enhance the type checking in Zoo and is a promising future
direction to pursue in my next step on this work.

9.6 Summary
In this chapter, we first introduced Zoo, a scripting sharing tool in Owl, including
its usage and design. Based on it, we explored two topics: service composition and
deployment. Zoo provides a small DSL to enable type-checked composition of different
data analytics services with version control and deployment of services to multiple
backends. It benefits from OCaml’s powerful type system. A use case was presented to
demonstrate the expressiveness of this DSL in composing advanced ML services such as
image recognition, text translation, etc. The Zoo DSL also enables deploying composed
services to multiple backends: containers, unikernels, and JavaScripts; service
deployment often requires choosing a suitable one.

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CHAPTER 10

Distributed Computing
Distributed computing has been playing a significant role in current smart applications
in various fields. In this chapter, we first briefly give a bird’s-eye view of this topic,
introducing various programming paradigms. Next, we introduce Actor, an OCaml-
based distributed computing engine, and how it works together with Owl. We then
focus on one key element in distributed computing: the synchronization. We introduce
four different types of synchronization methods or “barriers” that are commonly used
in current systems. Next, we elaborate how these barriers are designed and provide
illustrations from the theoretical perspective. Finally, we use evaluations to show the
performance trade-offs in using different barriers.

10.1 Distributed Machine Learning

Machine learning has achieved phenomenal breakthroughs in various fields, such
as image recognition, language processing, gaming industry, product management,
healthcare, etc. The power of machine learning lies in utilizing the growing size of
training data as well as models so as to achieve high accuracy. As a large amount of
data is increasingly generated from mobile and edge devices (smart homes, mobile
phones, wearable devices, etc.), it becomes essential for many applications to train
machine learning models in parallel across many nodes. In distributed learning, a model
is trained via the collaboration of multiple workers. One of the most commonly used
training methods is the stochastic gradient descent (SGD), which iteratively optimizes
the given objective function until it converges by following the gradient direction of the
objective. In each iteration of SGD, typically a descent gradient is calculated using a
batch of training data, and then the model parameters are updated by changing along
the direction of the gradient at a certain step. There are mainly three types of paradigms
to perform distributed machine learning: parameter servers (PS), All-Reduce, and
decentralized approaches (or peer-to-peer).

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L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5_10
Chapter 10 Distributed Computing

Parameter server [34] (PS) is a frequently used distributed training architecture.

The server keeps the model parameters; the workers pull the parameters, compute
the gradients, and push them back to the server for aggregation. It is commonly
implemented as a key-value store. Another paradigm is All-Reduce. In this paradigm,
each computing node expects each participating process to provide an equally
sized tensor, collectively applies a given arithmetic operation to input tensors
from all processes, and returns the same result tensor to each participant. A naive
implementation could simply let every process broadcast its input tensor to all peers and
then apply the arithmetic operation independently. The Ring All-Reduce architecture
organizes workers as a ring structure to utilize the bandwidth effectively. The Horovod
framework provides a high-performance implementation of the All-Reduce.
Besides these two, the decentralized architecture has drawn more attention. It allows
point-to-point communication between nodes according to a communication graph.
The peer-to-peer approach can effectively solve problems such as communication
bottlenecks, unfairness caused by information concentration, etc., and provides more
opportunities for optimization. One of the most commonly used algorithms in the P2P
training paradigm is the decentralized parallel SGD (D-PSGD) [36], where each node
has its own set of parameters and only synchronizes with its neighbors in the graph. In
time, the local information during training propagates across the whole graph gradually.
A lot of challenges remain to be addressed to train a model with good performance in a
decentralized system.
These training paradigms are (perhaps partly) supported by various popular learning
frameworks, such as TensorFlow, PyTorch, etc. Normally, they rely on high-performance
computing backends to provide efficient communication in these paradigms. For
example, NCCL is a stand-alone library of standard communication routines for GPUs,
and it implements various communication patterns. It has been optimized to achieve
high bandwidth. Another communication backend is the Intel MPI Library, a multifabric
message-passing library that implements the open source MPICH specification. It aims
to create, maintain, and test advanced, complex applications that perform better on
high-performance computing clusters.
One of the emerging distributed training paradigms is the Federated Learning [6].
Federated Learning allows machine learning tasks to take place without requiring data
to be centralized. There are a variety of motivations behind, for example, maintaining
privacy by preventing individuals from revealing their personal data to others or latency
by allowing data processing to take place closer to where and when the data is generated.

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Due to these reasons, it has been gaining increasing popularity in various research and
application fields. Federated Learning emphasizes the training data are not always
IID. That is, a device’s local data cannot be simply regarded as samples drawn from the
overall distribution. The data distribution has an enormous impact on model training.
Some research work provide theoretical analysis distributed training with non-IID
data. Some works are proposed to address the imbalanced data problem. Besides data
enhancement, its strategies include a combination of sequential update and BSP in
updating, given how biased the data is.

10.2 The Actor Distributed Engine

Actor is an OCaml language–based distributed data processing system. It is developed
to support the aforementioned distributed computing paradigms in Owl. It has
implemented core APIs in both map-reduce and parameter server engines. Both map-
reduce and parameter server engines need a (logical) centralized entity to coordinate all
the nodes’ progress. We also extended the parameter server engine to the peer-to-peer
(p2p) engine. The p2p engine can be used to implement both data and model parallel
applications; both data and model parameters can be, although not necessarily, divided
into multiple parts and then distributed over different nodes. Orthogonal to these
paradigms, Actor also implements all four types of synchronization barriers.
Each engine has its own set of APIs. For example, the map-reduce engine includes
map, reduce, join, collect, etc., while the peer-to-peer engine provides four major APIs:
push, pull, schedule, and barrier. It is worth noting there is one function shared by
all the engines, that is, the barrier function which implements various barrier control
mechanisms. Next, we will introduce these three different kinds of engines of Actor.

Map-Reduce Engine
Following the MapReduce programming model, nodes can be divided by tasks:
either map or reduce. A map function processes a key/value pair to generate a set of
intermediate key/value pairs, and a reduce function aggregates all the intermediate key/
value pairs with the same key. Execution of this model can automatically be paralleled.
Mappers compute in parallel while reducers receive the output from all mappers and
combine to produce the accumulated result. This parameter update is then broadcast
to all nodes. Details such as distributed scheduling, data divide, and communication

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in the cluster are mostly transparent to the programmers so that they can focus on the
logic of mappers and reducers in solving a problem within a large distributed system.
This simple functional style can be applied to a surprisingly wide range of applications.
For example, the following code shows an example of using the map-reduce engine to
implement the classic wordcount task:

module Ctx = Actor.Mapre

let print_result x = List.iter (fun (k,v) ->

        Printf.printf "%s : %i\n" k v) x
    let stop_words = ["a";"are";"is";"in";"it";"that";
        "this";"and";"to";"of";"so"; "will";"can";"which";
        "for";"on";"in";"an";"with";"the";"-"]

let _ = wordcount ()

Parameter Server Engine

The parameter server module is similar. Nodes are divided into servers, holding the
shared global view of the up-to-date model parameters, and workers, each holding its
own view of the model and executing training. The workers and servers communicate in
the format of key-value pairs. It mainly consists of four APIs for the users:

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• schedule: Decide what model parameters should be computed

to update in this step. It can be either a local decision or a central
decision.

• pull: Retrieve the updates of model parameters from somewhere and

then apply them to the local model. Furthermore, the local updates
will be computed based on the scheduled model parameter.

• push: Send the updates to the model plane. The updates can be sent
to either a central server or to individual nodes depending on which
engine is used (e.g., map-reduce, parameter server, or peer-to-peer).

• barrier: Decide whether to advance the local step. Various

synchronization methods can be implemented. Besides the classic
BSP, SSP, and ASP, we also implement the proposed PSP within this
interface.

The following code shows the interfaces of the parameter server engine:

open Actor_types

type barrier =
  | ASP    (* Asynchronous Parallel *)
  | BSP    (* Bulk Synchronous Parallel *)
  | SSP    (* Stale Synchronous Parallel *)
  | PSP    (* Probabilistic Synchronous Parallel *)

(** core interfaces to parameter server *)

val register_barrier : ps_barrier_typ -> unit

val register_schedule : ('a, 'b, 'c) ps_schedule_typ -> unit
val register_pull : ('a, 'b, 'c) ps_pull_typ -> unit
val register_push : ('a, 'b, 'c) ps_push_typ -> unit
val register_stop : ps_stop_typ -> unit

val get : 'a -> 'b * int

val set : 'a -> 'b -> unit
val keys : unit -> 'a list

val start : ?barrier:barrier -> string -> string -> unit

val worker_num : unit -> int

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The interface is intuitive. It implements the key-value mechanism of parameter

servers in the get, set, and keys functions. The user can define a barrier function,
scheduler, pull function executed at master, and push function executed at worker in the
register_* functions. This design provides a flexible distributed computing framework.
Based on these interfaces, here is a simple example using the parameter server
engine to assign random numbers as tasks to participating workers in the system:

module PS = Actor_param

let schedule workers =

      let tasks = List.map (fun x ->
        let k, v = Random.int 100, Random.int 1000 in (x, [(k,v)])
      ) workers in tasks

let push id vars =

      let updates = List.map (fun (k,v) ->
        Owl_log.info "working on %i" v;
        (k,v) ) vars in
      updates

    let test_context () =
      PS.register_schedule schedule;
      PS.register_push push;
      PS.start Sys.argv.(1) Actor_config.manager_addr;
      Owl_log.info "do some work at master node"

let _ = test_context ()

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Figure 10-1. Combine Owl and Actor frameworks

Compose Actor with Owl

One of the most notable advantages of Actor lies in that it can compose with Owl.
Parallel and distributed computing in Owl is achieved by composing the different data
structures in Owl’s core library with specific engines in the Actor system.
As shown in Figure 10-1, all the three distributed engines can be used to compose
with the Ndarray module in Owl. And the composition is quite straightforward:

module M = Owl.Parallel.Make (Dense.Ndarray.S) (Actor.Mapre)

That’s all it takes. By using a functor provided in Owl, it builds up a distributed

version of the n-dimensional array module. In this functor, we choose to use the single-
precision dense Ndarray module and the MapReduce engine as parameters. Using this
distributed Ndarray module is also easy. The following code shows an example. You
can see that the composed Ndarray module provides all the normal ndarray operations,
including initialization, map, fold, sum, slicing, adding, etc. And these computations
perform on a distributed cluster.

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module M1 = Owl_parallel.Make_Distributed (Owl.Dense.Ndarray.D)

(Actor.Mapre)

let test_owl_distributed () =
Actor.Mapre.init Sys.argv.(1) "tcp://localhost:5555";

let y = M1.init [|2;3;4|] float_of_int in

  let _ = M1.set y [|1;2;3|] 0. in
  let y = M1.add x y in
  Owl.Dense.Ndarray.D.print (M1.to_ndarray y); flush_all ();

let x = M1.ones [|200;300;400|] in

  let x = M1.map (fun a -> a +. 1.) x in
  let a = M1.fold (+.) x 0. in
  let b = M1.sum x in
  Owl_log.info "fold vs. sum ===> %g, %g" a b;

Owl_log.info "start retrieving big x";

  let x = M1.to_ndarray x in
  Owl_log.info "finsh retrieving big x";
  Owl_log.info "sum x = %g" (Owl.Arr.sum' x)

Similarly, this composition also applies to more advanced and complicated data
structures such as neural networks. Remember that Ndarray is the core data structure in
Owl, which the neural network module relies on. Therefore, we can create a distributed
version neural network module using the same functor:

module M = Owl.Parallel.Make (Owl.Neural.S.Graph) (Actor.Param)

Here, we use the single-precision neural network graph module and the parameter
server distributed engine to parameterize the new module. It enables parallel training
on a computer cluster. The following code shows an example. Most of the code stays
unchanged. All it requires is to use the M2.train function instead of the original one to
train a network.

module M2 = Owl_neural_parallel.Make (Owl.Neural.S.Graph) (Actor.Param)

let test_neural_parallel () =
let open Owl.Neural.S in
let open Graph in

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  let nn =
    input [|32;32;3|]
    |> normalisation ~decay:0.9
    |> conv2d [|3;3;3;32|] [|1;1|] ~act_typ:Activation.Relu
    |> conv2d [|3;3;32;32|] [|1;1|] ~act_typ:Activation.Relu ~padding:VALID
    |> max_pool2d [|2;2|] [|2;2|] ~padding:VALID
    |> dropout 0.1
    |> conv2d [|3;3;32;64|] [|1;1|] ~act_typ:Activation.Relu
    |> conv2d [|3;3;64;64|] [|1;1|] ~act_typ:Activation.Relu ~padding:VALID
    |> max_pool2d [|2;2|] [|2;2|] ~padding:VALID
    |> dropout 0.1
    |> fully_connected 512 ~act_typ:Activation.Relu
    |> linear 10 ~act_typ:Activation.(Softmax 1)
    |> get_network
  in

  let x, _, y = Owl.Dataset.load_cifar_train_data 1 in
  let chkpt state =
    if Checkpoint.(state.current_batch mod 1 = 0) then (
      Checkpoint.(state.stop <- true);
    )
  in

let params = Params.config

    ~batch:(Batch.Sample 100)
    ~learning_rate:(Learning_Rate.Adagrad 0.001)
    ~checkpoint:(Checkpoint.Custom chkpt)
    ~stopping:(Stopping.Const 1e-6) 10.
  in
  let url = Actor_config.manager_addr in
  let jid = Sys.argv.(1) in
  M2.train ~params nn x y jid url

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10.3 Synchronization: Barrier Control Methods

One critical component of distributed and federated machine learning systems is barrier
synchronization: the mechanism by which participating nodes coordinate in the iterative
distributed computation. As noted earlier, the statistical and iterative nature of machine
learning means that errors are incrementally removed from the system. To be perfectly
consistent, where every node proceeds to the next iteration together risks reducing
throughput. Relaxing consistency can improve system performance without ultimately
sacrificing accuracy. This trade-off is embodied in the barrier control mechanism. In the
rest of this chapter, we will focus on this aspect in distributed computing.
In parallel computing, a barrier is used for synchronization. If in the source code a
barrier is applied on a group of threads or processes, at this point a thread or process
cannot proceed until all others have finished their workload before the barrier. With
this, it is guaranteed that certain calculations are finished. For example, the following
code shows the barrier pragma in OpenMP, an application programming interface
that supports shared memory multiprocessing programming. Here, the calculation is
distributed among multiple threads and executed in parallel, but the computation of y
cannot proceed until the other threads have computed their own values of x. Execution
past the barrier point continues in parallel.

#pragma omp parallel

{
x = some_calculation();
#pragma omp barrier
y = x + 1
}

The preceding example shows a strict version of barrier methods. In distributed

training, there exist multiple forms of barrier control methods for synchronization.
Current barrier control mechanisms can be divided into four types, discussed in detail
later. These barrier methods provide different trade-offs between system performance
and model accuracy. They can be applied in different distributed machine learning
systems we have discussed in the previous section, including parameter servers, peer-to-
peer, etc. In the rest of this section, we will introduce them.

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The Bulk Synchronous Parallel (BSP) is the most strict, which requires all workers
to proceed in lockstep moving to the next iteration only when all the workers are ready.
Bulk Synchronous Parallel (BSP) is a deterministic scheme where workers perform a
computation phase followed by a synchronization/communication phase to exchange
updates, under control of a central server [54]. BSP programs are often serializable,
that is, they are equivalent to sequential computations, if the data and model of a
distributed algorithm have been suitably scheduled, making BSP the strongest barrier
control method [30]. Numerous variations of BSP exist, for example, allowing a worker to
execute more than one iteration in a cycle [14]. Federated Learning also uses BSP for its
distributed computation [6]. Moreover, BSP requires centralized coordination.
The Asynchronous Parallel (ASP) [41] is the least strict barrier control, since
it allows each worker to proceed at its own pace without waiting for the others.
Asynchronous Parallel (ASP) takes the opposite approach to BSP, allowing
computations to execute as fast as possible by running all workers completely
asynchronously [41]. ASP can result in fast convergence because it permits the
highest possible rate of iteration [54]. However, the lack of any coordination means
that updates are calculated based on old model state, resulting in reduced accuracy.
There are no theoretical guarantees as to whether algorithms converge. The Hogwild
scheme proposed in [41] has many limits, for example, it requires a convex function
and sparse update. Many work have tried to extend these limits in application and
theoretical analysis [35]. These studies often lead to carefully tuned step size in training.
[59] proposes a delay-compensated SGD that mitigates delayed updates in ASP by
compensating the gradients received at the parameter server. [32] introduces another
variant of ASP specifically for wide area networks: as communication is a dominant
factor, it advocates allowing insignificant updates to be delayed indefinitely in WAN.

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Table 10-1. Classification of Synchronization Methods Used by Different Systems

System Synchronization Constraint Barrier Method

MapReduce [17] Requires a map to complete before BSP

reducing
Hogwild! [41] ASP but system-level bounds on ASP, SSP
delays
Parameter servers [34] Swappable synchronization method BSP, ASP, SSP
Hadoop [46], Spark [57] Aggregate updates after task BSP
completion
Yahoo! LDA [2] Checkpoints SSP, ASP
SSP [30] Updates delayed by up to N − 1 steps SSP
Gaia [32] Accumulate weight locally BSP, SSP
Astraea [19] Combination with sequential update BSP
Owl+Actor[51] Swappable synchronization method BSP, ASP, SSP, PSP

The third one is the Stale Synchronous Parallel (SSP) [30], which relaxes BSP
by allowing workers to proceed to the next iteration once all workers’ iterations are
within a certain limit with each other. Stale Synchronous Parallel (SSP) is a bounded
asynchronous model that balances between BSP and ASP. Rather than requiring all
workers to proceed to the next iteration together, it requires only that the iteration of
any two workers in the system differs by at most s, a predefined staleness bound. The
staleness parameter limits error and allows SSP to provide deterministic convergence
guarantees [30, 15, 54]. Built on SSP, [58] investigates the n-softsync, the synchronization
method that makes the parameter server updating its weight after collecting certain
number of updates from any workers. [9] proposes to remove a small amount of
“longtail” workers or add a small amount of backup nodes to mitigate this effect while
avoiding asynchronous noise.
The final one is called Probabilistic Synchronous Parallel (PSP). Its basic idea
is to introduce a sampling primitive in the system and to use a sampled subset of
participating workers to estimate progress of the entire system. PSP introduces a second
dimension to this trade-off: from how many nodes must we receive updates before
proceeding to the next iteration. By composing our sampling primitive with traditional

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barrier controls, it obtains a family of barrier controls better suited for supporting
iterative learning in the heterogeneous networks.
The core idea behind PSP is simple yet powerful: we require that only some
proportion, not all, of the working nodes be synchronized in progress. By “progress”
we mean the number of updates pushed to the server at the client’s side and the total
number of updates collected at the server’s side. In a centralized training framework, the
server builds this subset of the training nodes based on system information, such as their
current local progress. This subset can be sampled by various approaches. One common
and intuitive way is to sample randomly among all the workers.
The parameter in PSP, the sampling size, therefore controls how precise this
estimation is. Assuming this random subset is not biased with respect to nodes’
performance, the server can use the resulting distribution to derive an estimate of the
percentage of nodes which have passed a given progress. This estimation depends on the
specific method used within the subset, as will be discussed in Section 10.4. Accordingly,
the server can decide whether to allow the trainers to pass the barrier and advance their
local progress.
Figure 10-2 illustrates the difference among these four types of barriers. Here, the
computing progress is measured by super steps, or iterations. Communication may
happen at the barrier to ensure consistency through the global state. A central server
may also be required in order to maintain the global state, denoted by the clock symbol.
Table 10-1 summarizes the barrier synchronization methods used by different
machine learning systems. You can see that, regardless if it is a classic system or a new
one, the barrier synchronization has been an important component in the system.

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Figure 10-2. Illustration of various barrier control methods

10.4 System Design Space and Parameters

In the previous section, we have introduced the existing barrier control methods. In
this section, we will further explain how they are designed and their relationship with
each other.
In a distributed training system that utilizes an iterative learning algorithm, the
main target is to achieve faster convergence, a state in which loss keeps to be within an
error range around the final value of training. The convergence of training is positively
correlated with two factors: consistency and iteration rate. Consistency is the agreement
between multiple nodes in a distributed training system to achieve convergence. It can
be indicated by the difference of training iterations of the nodes. Weak consistency can
be detrimental to the update quality of the model in each iteration. On the other hand,
the iteration rate is how fast the training processes. This relationship can be captured by
Eq. 10.1.

Convergence α consistency × iteration rate (10.1)

BSP and ASP are good examples to illustrate these two factors. In BSP, workers
must wait for others to finish in a training round, and all the workers are of the same
progress. Therefore, of all barrier methods the BSP can offer the best consistency and

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highest accuracy in each update. BSP is a deterministic algorithm. As a price, if there are
stragglers in the training nodes, the system progress will be bottlenecked by the slowest
node. On the other hand, ASP allows nodes to execute as fast as possible, with no need to
consider the progress of other nodes. As a result, ASP leads to the highest possible rate of
iteration. However, the lack of any coordination means that updates are calculated based
on out-of-date model state, resulting in reduced consistency.
The design of SSP clearly shows a good trade-off between these two extremes. As
shown in Figure 10-3, SSP attempts to exploit this trade-off by bounding the difference
in iterations between participating nodes. On one hand, it does not require all the
nodes to have exactly the same progress as in BSP and thus improves its iteration rate.
On the other hand, its stale bound provides a more strict consistency bound on nodes
than ASP. As a result, it achieves a balance between these two ends, hence leading to a
higher rate of convergence. The parameter staleness covers the spectrum on this one-
dimensional tuning space.
But is that all about the design space of a barrier control method? Let’s look deep
into the current model again. We start by visualizing the iterative update process, as
shown in Figure 10-4.
The model is simple. A sequence of updates is applied to an initial global state x0.
Here, u(p,t) denotes update(node id, timestamp), that is, the updates are generated
for all the nodes on all its clock ticks. In this example, there are three nodes. Ideally, in
clock tick ti we expect to have three updates: u(0, ti), u(1, ti), and u(2, ti). However, due to
the noisy environment, these updates are divided into two sets. The deterministic ones
are those we expect if everything goes well as stated earlier. The probabilistic ones are
those out-of-order updates due to packet loss, network delay, node failure, etc. Although
it is simple, this model can represent most iterative learning algorithms.

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Figure 10-3. The trade-off among ASP, SSP, and BSP

Figure 10-4. Analytical model of the iterative update process in distributed

learning

Then we use the analytical model to express each barrier method as in Figure 10-5.
The left part deals with the consistency. The += operator is the server logic about how to
incorporate updates submitted to the central server into the global state. The right part
deals with synchronization; computers either communicate to each other or contact
the central server to coordinate their progress. As discussed earlier, the right side can be
divided into two types of updates: deterministic and probabilistic.
The formulation reveals some very interesting structures from a system design
perspective. For BSP and SSP, the central server couples the control logic of both
consistency and synchronization. That is to say, if you choose tight consistency, you
must also choose global synchronization control by a logic central server. For both BSP
and SSP, one logical server is assigned to update model parameters and coordinate the

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progress of all nodes in an iterative learning algorithm. In a distributed system, this is

often the bottleneck and single point of failure. ASP avoids such coupling by giving up
synchronization and consistency completely.
The PSP, however, decouples consistency and synchronization. It achieves so by
finding out that there exists another dimension in the design space of barrier methods:
the completeness. Note that, for the previous three barriers, the degree of consistency is
enforced upon the whole population. All the participating nodes are equally consistent.

Figure 10-5. Decoupling consistency and synchronization

PSP exploits this dimension of the degree of completeness in a sample, which

renders a distribution of degree of consistency. In PSP, each computer synchronizes
with a small group of others, and the consistency is only enforced within the group.
The completeness presents the level of coordination among the nodes. By changing the
sample size, this dimension goes from fully complete (all working nodes are considered
in synchronization) to not complete (each single node is considered separately).
The sampling strategy of PSP has a profound implication on the design of barrier
control methods. By adding in this extra dimension, the convergence is now impacted by
three factors, and Eq. 10.1 now becomes

Convergence α consistency of sample × completeness of sample × iteration rate (10.2)

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In Eq. 10.2, the consistency is thus further decomposed into the consistency degree
in a sample and the completeness of this sample.
Thus, PSP shows a tuning space that incorporates all the other barriers. As shown in
Figures 10-6 and 10-7, in the refined design space, the ASP is placed at the bottom left,
since it shows the weakest consistency (no control on the progress of other nodes) and
completeness (each node only considers itself ). On the other hand, BSP and SSP show
full completeness, since they require a central server to synchronize the progress of all
nodes. Similar to Figure 10-3, they show different levels of consistency.

Compatibility
As a more general framework, one noteworthy advantage of PSP lies in that it is
straightforwardly compatible with existing synchronization methods, which provides
the tuning dimension of consistency. In classic BSP and SSP, their barrier control
mechanisms are invoked by a central server to test the synchronization condition with
the given inputs. For BSP and SSP to use the sampling primitive, they simply need to
use the sampled states rather than the global states when evaluating the barrier control
condition. Within each sampled subset, these traditional mechanisms can then be
applied. Users can thus easily derive probabilistic versions of BSP and SSP, namely, pBSP
and pSSP. For example, Figure 10-8 shows that PSP can be applied to other synchronous
machines as a higher-order function to derive probabilistic versions.
Formally, at the barrier control point, a worker samples β out of P workers without
replacement. If one lags more than s updates behind the current worker, then the worker
waits. This process is pBSP (based on BSP) if the staleness parameter s = 0 and pSSP
(based on SSP) if s > 0. If s = ∞, PSP reduces to ASP.

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Figure 10-6. Two dimensions in the design of barrier control methods

Figure 10-7. The new dimension allows us to explore a larger design space, which
further makes it possible to find a better trade-off to achieve better convergence rate

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Figure 10-8. PSP can be applied to other synchronous machines as a higher-order

function to further derive a fully distributed version

Figure 10-9. Compose PSP with Bulk Synchronous Parallel

As an illustration, Figure 10-9 depicts how to compose BSP with PSP, namely, a
subset of the population of nodes is chosen, and then the BSP is applied within the
subset (pBSP). The composition of PSP and SSP (pSSP) follows the same idea.
Besides existing barrier control methods, PSP is also compatible with both
centralized and decentralized training approaches. As described earlier, the extra
completeness dimension decouples consistency and synchronization. The other full
complete synchronization control methods require a centralized node to hold the global
state. By using a sampling primitive, they can be transformed into fully distributed
solutions. In a decentralized setting, based on the information it gathers from its

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neighboring nodes, a trainer node may either decide to pass the barrier control by
advancing its local progress or wait until the threshold is met.
The benefits of exploring this two-dimensional design space are thus multitude.
First, it enables constructing fully distributed barrier control mechanisms that are more
scalable. As illustrated in Figure 10-2d, each node depends only on several other nodes
to decide its own barrier, not on all other nodes. Second, it allows exploring barriers that
can achieve better convergence. To ignore the status of the other workers with impunity,
it relies on the fact that, in practice, many iterative learning algorithms can tolerate a
certain degree of error as they converge to their final answers [12]. By controlling the
sampling method and size, PSP reduces the impact of lagging nodes while also limiting
the error introduced by nodes returning updates based on stale information. Third,
in an unreliable environment, using the sampling primitive can minimize the impact
of outliers and stragglers by probabilistically choosing a subset of the total workers as
estimation. In summary, by tuning the sampling size and staleness parameters carefully,
the generated barrier control methods can be robust against the effect of stragglers
while also ensuring a degree of consistency between iterations as the algorithm
progresses. In Section 10.6, we will investigate the performance in more detail.

Table 10-2. Notation Table

Notation Explanation

f (r) Probabilities of a node lagging r steps

F (r) Cumulative distribution function of f (r)
R [X] Difference between optimal and noisy state
a F (r)β, where β is the sample size
γt Sequence inconsistency at length t
T Total length of update sequence
L Lipschitz constant
σ Initial learning rate, constant
N Total number of workers, constant

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Figure 10-10. (a–b) Bounds on mean and variance of sampling distribution as

a function of F(r)β. The staleness r is set to 4 with T equal to 10000. (c) Sequence
inconsistency observed in empirical training

10.5 Convergence Analysis
In this section, we present a theoretical analysis of PSP and show how it affects the
convergence of ML algorithms (SGD used in the analysis). The analysis mainly shows that
(1) under PSP, the algorithm only has a small probability not to converge, and the upper
limit of this probability decreases with the training iterations; (2) instead of choosing
large sampling size, it is proved that a small number is already sufficient to provide a good
performance. The notations used in the following analysis are presented in Table 10-2.
The analysis is based on the model shown in Figure 10-4. In a distributed machine
learning process, these N workers keep generating updates, and a shared model is
updated with them continuously. We count these updates by first looping over all
workers at one iteration and then across all the iterations. In this process, each one is
incrementally indexed by integer t. The total length of this update sequence is T. We
apply an analysis framework similar to that of [15]. At each barrier control point, every
worker A samples β out of N workers without replacement. If one of these sampled
workers lags more than s steps behind worker A, it waits. The probabilities of a node
lagging r steps are drawn from a distribution with a probability mass function f (r) and
cumulative distribution function (CDF) F(r). Without loss of generality, we set both
staleness r and sample size β parameters to be constants.
Ideally, in a fully deterministic barrier control system such as BSP, the ordering of
updates in this sequence should be deterministic. We call it a true sequence. However,
in reality, what we get is often a noisy sequence, where updates are reordered irregularly
due to sporadic and random network and system delays. These two sequences share
the same length. We define sequence inconsistency as the number of index difference

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between these two sequences and denote it by γt. It shows how much a series of updates
deviate from an ideal case. If the sequence inconsistency is bounded, it means that
what a true sequence achieves, in time, a noisy sequence can also achieve, regardless
of the order of updates. This metric is thus a key instrument in theoretically proving the
convergence property of an asynchronous barrier method.
T
Let R [ X ] = ∑ ft ( x t ) − ft ( x  ) . This is the sum of the differences between the optimal
t

value of the function and the current value given a noisy state. To put it plainly, it shows
the difference between “the computation result we get if all the parameter updates we
receive are in perfect ideal order” and “the computation result we get in the real world
when using, for example, PSP barrier.” Now we show the noisy system state, x t ,
converges in expectation toward the optimal, x⋆, in probability. Specifically, since R[X] is
accumulated over time, to get a time-independent metric, we need to show the value
R[ X ]
is bounded.
T T
Theorem: SGD under PSP, convergence in probability Let f ( x ) = ∑ ft ( x ) be a
t =1

convex function where each ft ∈ R is also convex. Let x ∈ R be the minimizer of this
⋆ d

function. Assume that ft are L-Lipschitz and that the distance between two points x and
x′ is bounded: D ( x || x ′ ) = 1 || x − x ′ ||22 ≤ F 2 , where F is constant. Let an update be given by
2
σ
u t = −ηt ∇ft ( x t ) and the learning rate by ηt = . We have bound:
t
Tδ 2
−
 R[ X ] 1  2 2F  
2
c+
bδ
P − σ L − −q ≥δ  ≤e , (10.3)
3

 T T σ  

where δ is a constant and b ≤ 4NTLσ. The b term here is the upper bound on the random
variables which are drawn from the lag distribution f (r). The q and c are two values that
are related to the mean and variance of γt. If we assume that 0 < a < 1, then it can be

proved that both q and c are bounded. Furthermore, if we assume with probability Φ that
R[ X ]
∀t. 4NLσγt < O(T), then b < O(T). That means converges to O(T−1/2), in probability
T
Φ with an exponential tail bound that decreases as time increases.

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In other words, this theorem claims that as long as the difference between the noisy
update sequence and the ideal sequence is bounded, and that the nodes in the system
do not lag behind too far, PSP guarantees that (with certain probability) the difference
between the result we get and the optimal result diminishes as more updates are
generated and appended in the sequence. A formal proof of this theorem can be seen
in [52].

How Effective Is Sampling

One key step in proving the preceding theorem is to prove the sequence inconsistency γt
is bounded. We have proved that the mean and variance of vector γt are both bounded.
Specifically, the average inconsistency (normalized by sequence length T) is bounded by

1 T  r ( r + 1) a ( r + 2 ) 
∑
T t =0
E( γt ) ≤ S 
 2
+
( 1 − a )
2
,

(10.4)
 

and the variance has a similar bound:

1 T  r ( r + 1 ) ( 2r + 1 ) a ( r 2 + 4 ) 
∑E ( γ t ) < S 
T t =0
2

6
+
(1 − a ) 
3
, (10.5)


where

1− a
S= . (10.6)
F ( r ) (1 − a ) + a − a T − r +1

As intimidating as these bounds may seem, they can both be treated as constants
for fixed a, T, r, and β values. They provide a means to quantify the impact of the PSP
sampling primitive and provide stronger convergence guarantees than ASP, shown in
Figure 10-11. They do not depend upon the entire lag distribution.

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,QLWLDOJOREDOVWDWH $GHWHUPLQLVWLFXSGDWHV %SUREDELOLVWLFXSGDWHV

363

Figure 10-11. Sampling primitive decomposes the original sequence into

multiple sampling processes (assuming no replacement for simplicity), and
each has a partial view of the original one. Smaller sample size results in more
sampling processes; each has even less complete view of the original one (i.e., less
completeness), further reducing the synchronization level

The intuition provided in Eq. 10.4 and Eq. 10.5 is that, when applying PSP, the update
sequence we get is not too different from the true sequence, regarding both mean and
variance of the difference. To demonstrate the impact of the sampling primitive on
bounds quantitatively, Figures 10-10a and 10-10b show how increasing the sampling
count, β (from 1 to 128, marked with different line colors on the right), yields tighter
bounds. Notably, only a small number of nodes need to be sampled to yield bounds close
to the optimal. This result has an important implication to justify using the sampling
primitive in large distributed learning systems due to its effectiveness. This will be further
verified in the evaluation section.
The discontinuities at a = 0 and a = 1 reflect edge cases of the behavior of the barrier
method control. Specifically, with a = 0, no probability mass is in the initial r steps, so no
progress can be achieved if the system requires β > 0 workers to be within r steps of the
fastest worker. If a = 1 and β = 0, then the system is operating in ASP mode, so the bounds
are expected to be large. However, these are overly generous. Better bounds are O(T) for
the mean and O(T2) for the variance, which we give in our proof. When a = 1 and β ≠ 0,
the system should never wait and workers could slip as far as they like as long as they
returned to be within r steps before the next sampling point.

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Besides theoretical analysis, an intuitive visualization of sequence inconsistency γt

is shown in Figure 10-10c. We run a distributed training experiment with various barrier
methods for 100 seconds and measure the number of difference between true and
noisy sequence at a fixed interval during the whole process. The result shows that the
sequence inconsistency using ASP keeps growing linearly, while in SSP it increases and
decreases within a certain bound, which is decided by the staleness parameter. Applying
sampling to SSP relaxes that bound, but unlike ASP, inconsistencies using pSSP grow
sublinearly with sequence length. BSP is omitted in the figure, since its true and noisy
sequence is always the same. pBSP shows a tight bound (about 0.5) even with only 5%
sampling.

Implementation Technique
As shown in Table 10-1, barrier control methods are widely used in existing systems,
such as parameter servers, Hadoop, etc. Indeed, PSP is not yet widely available in many
systems, which means the completeness dimension in synchronization method design
cannot be readily utilized. The good news is that bringing the extra design dimension
requires minimal effort. To implement PSP atop of current data analytics frameworks,
developers only need to add a new primitive: sampling. As shown in Section 10.4, it is
straightforward to compose existing barrier methods in a distributed system.
By default, we choose the trainers randomly. There are various ways to guarantee the
random sampling, for example, organizing the nodes into a structural overlay such as
the Distributed Hash Table (DHT). The random sampling is based on the fact that node
identifiers are uniformly distributed in a namespace. Nodes can estimate the population
size based on the allocated ID density in the namespace.
The choice of samples has a great impact on the performance of PSP. The sampling
of PSP provides an estimate of the total distribution of the progress of all the workers.
In a worst-case scenario where the sampled subset happens to be all stragglers, this
subset cannot provide a very efficient estimation of all the workers. Different sampling
strategies can be used in certain scenarios.
For example, we can change how frequently the sample changes during distributed
computing. Or, we can choose the workers according to their previous computation
time. Specifically, at each round, all the workers are categorized into two groups
according to their historical computing time per iteration, one slow and one fast, and
then choose equal numbers of workers from both groups to form the target subset. We
can use clustering algorithms such as K-Means.
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10.6 Evaluation
In this section, we investigate the performance of various barrier control methods
in experiments and the trade-off they make. We focus on two common metrics in
evaluating barrier strategies: the accuracy and system progress. Using these metrics,
we explore various barrier controls with regard to the impact of sample settings and
stragglers in the Federated Learning system. Besides, we also use a new metric called
progress inconsistency as a metric of training accuracy, but without the impact of specific
application hyperparameters.

Experiment Setup
We perform extensive experiments on the real-world dataset FEMNIST, which is part
of LEAF, a modular benchmarking framework for learning in federated settings, and
includes a suite of open source federated datasets [8]. Similar to MNIST, the FEMNIST
dataset is for image classification tasks. But it contains 62 different classes (10 digits,
26 lowercases, and 26 uppercases). Each image is of size 28 by 28 pixels. The dataset
contains 805,263 samples in total. The number of samples is distributed evenly across
different classes.
To better study the performance of the proposed method with non-IID data
distribution in Federated Learning, we follow the data partition setting in [7]. We first
sort the data by class labels, divide them into 2n shards, and assign each of n workers 2
shards. This pathological non-IID partition makes the training data on different workers
overlap as little as possible. The validation set is 10% of the total data. Besides, we
preprocess it so that the validation set is roughly balanced in each class. As for training
hyperparameters, we use a batch size of 128, and we use the Adam optimizer, with
learning rate of 0.001 and coefficient of (0.9, 0.999).
We conduct our experiment on a server that has 56 Intel(R) Xeon(R) CPU E5-2680
v4 and a memory of 256G. In the rest of this section, if not otherwise mentioned, we
use 16 workers by default. Besides, one extra worker is used for model validation to
compute its accuracy. In the rest of this section, we aim to show the wide range of tuning
space enabled by the sampling parameter and how existing barrier methods can be
incorporated into PSP.

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Accuracy
We execute the training process using each method on the non-IID FEMNIST dataset
for about eight epochs. The results are shown in Figure 10-12. The subfigure uses time
as the x axis. It shows the change of trained model accuracy in about 10,000 seconds. It
compares the ASP, BSP, and pBSP (composing PSP with BSP) where the sampling size
equals 4.
The first thing to note here is, though the performance of ASP looks optimal at the
beginning due to its quick accumulation of updates from different workers, it quickly
deteriorates and fails to converge. Compared to the unstable performance of ASP, BSP
steadily converges. Then the pBSP clearly outperforms these two regarding model
accuracy, especially in the later part of training. Due to its probabilistic nature, the
pBSP line shows larger jitters than BSP, but also follows the general trend of BSP toward
convergence steadily.
The strength of PSP lies in that it combines the advantages of existing methods. In
the lower subfigure of Figure 10-12, we use the accumulated total number of updates the
parameter server has received as the x axis to compare the “efficiency” of the updates in
ASP, SSP, and pSSP. The staleness parameter of SSP and pSSP is set to 4 here. We can see
that as updates are accumulating, despite using sampling, the accuracy increase of pSSP
is similar to that of SSP.
Meanwhile, pSSP is much faster than SSP with regard to the update progress or the
rate at which the updates accumulate at the parameter server. Figure 10-13 shows the
number of updates at the server with regard to time (here, we show only results from
the beginning of evaluations). As can be seen, at any given time, both pBSP and pSSP
progress faster than BSP and SSP correspondingly. Of course, ASP progresses the fastest
since it does not require any synchronization among workers, but its nonconverged
updates make this advantage obsolete.
The difference of the number of updates can be directly interpreted as the
communication cost, since each update means the transmission of weight and gradient
between the server and clients. For example, at about 600s, the pSSP incurs 35% more
traffic than SSP; and pBSP even doubles the traffic in BSP. In our experiments, the
PSP can reduce communication overhead without sacrificing the final model accuracy.

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Figure 10-12. Performance comparison between different

synchronization methods

Figure 10-13. Number of updates accumulated at the parameter server for

different barrier methods

PSP combines the best of two worlds. On one hand, it has similar update efficiency
as SSP and BSP; on the other hand, it achieves faster update progress that is similar to
ASP. As a result, it outperforms the existing barrier control methods.

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Figure 10-14. (a) System progress distribution; (b) pBSP parameterized by

different sample sizes, from 0 to 24. Increasing the sample size makes the curves
shift from right to left with decreasing spread, covering the whole spectrum from
the most lenient ASP to the most strict BSP

System Progress
In this section, we use 32 workers and run the evaluation for 400 seconds. Figure 10-14a
shows the distribution of all nodes’ progress when evaluation is finished.
As expected, the most strict BSP leads to a tightly bounded progress distribution,
but at the same time, using BSP makes all the nodes progress slowly. At the end of the
experiment, all the nodes only proceed to about the 80th update. As a comparison, using
ASP leads to a much faster progress of around 200 updates. But the cost is a much loosely
spread distribution, which shows no synchronization at all among nodes. SSP allows
certain staleness (4 in our experiment) and sits between BSP and ASP.

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PSP shows another dimension of performance tuning. We set sample size β to 4, that
is, a sampling ratio of only 12.5%. The result shows that pBSP is almost as tightly bound
as BSP and also much faster than BSP itself. The same is also true when comparing pSSP
and SSP. In both cases, PSP improves the iteration efficiency while limiting dispersion.
To further investigate the impact of the sample size, we focus on BSP and choose
different sample sizes. In Figure 10-14b, we vary the sample size from 0 to 24. As we
increase the sample size, the curves start shifting from right to left with tighter and
tighter spread, indicating less variance in nodes’ progress. With sample size 0, the pBSP
exhibits exactly the same behavior as that of ASP; with increased sample size, pBSP starts
becoming more similar to SSP and BSP with tighter requirements on synchronization.
Another important observation worth mentioning is, with a very small sample size
of one or two (i.e., very small communication cost on each individual node), pBSP can
already effectively synchronize most of the nodes compared to ASP. The tail caused by
stragglers can be further trimmed by using a larger sample size. This observation confirms
our theoretical analysis in Section 10.5, which explicitly shows that a small sample size can
effectively push the probabilistic convergence guarantee to its optimum even for a large
system size, which further indicates the superior scalability of the proposed solution.

Figure 10-15. Stragglers impact both system performance and accuracy of model
updates. Probabilistic synchronization control by a sampling primitive is able to
mitigate such impacts

When composed with BSP, PSP can increase the system progress of BSP by about
85% while retaining the almost the same tight bound on progress distribution. Besides,
by tuning the sample size, the evaluation result shows that a small size such as 2 or 4 in a
system of 32 workers can effectively provide a tight convergence guarantee.

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Robustness to Straggler
Stragglers are not uncommon in traditional distributed training and are pervasive in
the workers of Federated Learning. In this section, we show the impact of stragglers
on system performance and accuracy of model updates and how probabilistic
synchronization control by a sampling primitive can be used to mitigate such impacts.
As explained before, we model the system stragglers by increasing the training time
of each slow trainer to n-fold, namely, on average they spend n times as much time
as normal nodes to finish one iteration. The parameter n here is the “slowness” of the
system. In the experiment shown in Figure 10-15, we keep the portion of slow nodes
fixed and increase the slowness from 2 to 8. Then we measure the accuracy of using a
certain barrier control method at the end of training. To be more precise, we choose
a period of results before the ending and use their mean value and standard for each
observation point.
Figure 10-15 plots the decreasing model accuracy due to stragglers as a function
of the straggler slowness. As we can see, both ASP and BSP are sensitive to stragglers,
both dropping about 20% accuracy by increasing slowness from 2x to 8x, while that of
pBSP only drops by less than 10%. For BSP, this is mainly because the stragglers severely
reduce the training update progress; for ASP, this can be explained as the result of its
asynchronous nature, where updates from slow workers are delayed. This problem is
exacerbated by the non-IID data, where the data overlap between different workers
is limited, if not none at all. Once again, PSP takes the best of both worlds. As we have
shown before, its probabilistic sampling mitigates the effect of data distribution and is
also less prone to the progress reduction caused by stragglers.
PSP is less prone to the stragglers in the system. When the slowness increases from
2x to 8x, both ASP and BSP are sensitive to stragglers, both dropping about 20% accuracy,
while that of pBSP only decreases by less than 10%.

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Figure 10-16. Varying sample sizes in pSSP

Figure 10-17. Compare different strategies of sampling in PSP

S
ampling Settings
In Section 10.6, we investigate how the choice of sampling size affects the progress in
PSP. One question is then: How to choose the suitable sample size? As pointed out in
Section 10.5, one important observation that can be derived from our theory proof is that
a small number of sampling can achieve similar performance as that using large sample
numbers.

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To demonstrate this point in evaluation, we choose different numbers of sampling size,

from 2 to 8, in a 16-worker training, and compare them to SSP. The training lasts for a fixed
time for all the used methods. In Figure 10-16, we can see that, even though the number of
samples changes, the performance of pSSP is still close to that of SSP. In this scenario,
choosing a smaller number of sampling leads to better performance than the others, due to
its fast progress of updates. However, it is not a rule of thumb to always use a small sample
size. Choosing suitable parameters in a great tuning space enabled by PSP is a nontrivial
task, and we are working to illustrate this challenging problem in our future work.
In Section 10.4, we discuss three different sampling strategies. First is the basic
strategy that chooses a certain number of workers as a subset and uses them to estimate
training progress of all the workers. The second one, the dynamic sampling strategy,
rechooses this subset dynamically instead of keeping it fixed. The third is a grouping
strategy that precluster workers into two groups according to their execution speed and
then chooses T samples equally from both groups.

Figure 10-18. Average and variance of normalized progress inconsistency in PSP

with regard to sample size (100 nodes in total)

To compare these strategies, we use 24 workers and set 6 of them to be stragglers

(1x slower in computing backpropagation). We use pBSP and increase its sampling size
from 2 to 8. Both training use the same number of epochs. The results are shown in
Figure 10-17. Each box shows the distribution of model accuracy numbers near the end
of each training; the last ten results are used in this experiment.

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The result shows that, compared to the basic strategy, the dynamic one can
effectively increase the efficiency of PSP. The increase ranges from about 25% to twofold
for different sampling sizes. The low accuracy of the basic strategy shows that it tends to
result in a more asynchronous training, which is more similar to ASP than BSP.
The grouping strategy achieves similar results as the dynamic one, but shows smaller
deviation of box, which means a smoother curve in training (result figure omitted due
to space limit). Besides, in dynamic strategy, the sampling size does not visibly affect
the model accuracy, which means that the smaller sample size can be used to increase
system progress without sacrificing model accuracy. Also note that in both cases, the
larger sampling size leads to smaller deviation. This also agrees with the design and
analysis of PSP shown in previous sections.
We learned two things in this section. First, by varying the setting of the sampling
size from 2 to 8 in pSSP by using a worker size of 16, it can be seen that a small sampling
size can still achieve that of a large one, regarding model accuracy. Second, the dynamic
and grouping sampling strategies can both effectively improve the performance.
Compared to the basic strategy, both can effectively increase the efficiency of PSP. The
increase ranges from about 25% to twofold for different sampling sizes.

Progress Inconsistency
In the previous section, we have evaluated the impact of barrier control methods on the
accuracy of three different models. However, the training accuracy is affected not only
by the barrier method, which controls training inconsistency, but also hyperparameters
such as learning rate. The tolerance of error in training for different applications also
varies greatly. To better understand the impact of barriers on model consistency
during training without considering the influence of these factors, we use progress
inconsistency as a metric to compare barriers.
In distributed training, for a worker, between the time it pulls a model from a
server and updates its own local model, the server likely has already received several
updates from other workers. These updates are the source of training inconsistency.
We define progress inconsistency as the number of these updates between a worker’s
corresponding read and update operations. In this experiment, we collect the progress
inconsistency value of each node at its every step during training.
We investigate the relationship between the number of nodes and inconsistency of
pBSP. All executions run for 100 seconds, and we increase workers from 50 to 500. We
measure the average and variance of progress inconsistency, both normalized with the

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number of workers, as shown in Figure 10-18. The average inconsistency of ASP is mostly
unaffected by size. With a smaller sample size, that of pBSP becomes close to ASP, but
note that only the initial increase of network size has a considerable impact. With sample
size fixed and network size growing, the average inconsistency grows sublinearly, which
is an ideal property. As to the standard deviation values of pBSP, they mostly keep stable
regardless of network size.
According to these observations, we can see that for PSP, both the average training
inconsistency (denoted by mean) and the noise (denoted by variance) grow sublinearly
toward a certain limit for different sample sizes, limited by that of ASP and BSP/SSP.

10.7 Summary
In this chapter, we explored the topic of distributed computing in Owl, with a focus on
the topic of synchronization barriers. We showed Actor, an OCaml-based distributed
computing engine, which has implemented three different computing paradigms,
namely, map-reduce, parameter server, and peer-to-peer. Orthogonal to that, it also has
implemented four different types of barrier control methods.
We proposed the Probabilistic Synchronous Parallel, which is suitable for data
analytic applications deployed in large and unreliable distributed systems. It strikes a
good trade-off between the efficiency and accuracy of iterative learning algorithms by
probabilistically controlling how data is sampled from distributed workers. In Actor,
we implemented PSP with a core system primitive of “sampling.” We showed that the
sampling primitive can be combined with existing barrier control methods to derive
fully distributed solutions. We then evaluated the performance of various barrier
control methods. The effectiveness of PSP in different application scenarios depends
on the suitable parameter, that is, the sample size. Similar to the performance tuning
in numerical computation, we suggest resorting to prior knowledge and empirical
measurement for its parameter tuning and regard this as the challenge for the future
exploration.

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CHAPTER 11

Testing Framework
Every proper software requires testing, and so is Owl. All too often, we have found that
testing can help us discover potential errors we failed to notice during development. In
this chapter, we briefly introduce the philosophy of testing in Owl, the tool we use for
conducting the unit test, and examples to demonstrate how to write unit tests. Issues
such as using functors in tests and other things to notice in writing test code for Owl, etc.
are also discussed in this chapter.

11.1 Unit Test
There are multiple ways to perform test on your code. One common way is to use
assertion or catching/raising errors in the code. These kinds of tests are useful, but the
testing code is mixed with the function code itself, while we need separate test modules
that check the implementation of functions against expected behaviors.
In Owl, we apply a unit test to ensure the correctness of numerical routines as much
as possible. A unit test is a software test method that checks the behavior of individual
units in the code. In our case, the “unit” often means a single numerical function.
There is an approach of software development that is called test-driven development,
where you write test code even before you implement the function to be tested itself.
Though we don’t enforce such approach, there are certain testing principles we follow
during the development of Owl. For example, we generally don’t trust code that is
not tested, so in a GitHub pull request, it is always a good practice to accompany your
implementation with a unit test in the test/ directory in the source code. Besides, try to
keep the function short and simple, so that a test case can focus on a certain aspect.
We use the alcotest framework for testing in Owl. It is a lightweight test framework
with simple interfaces. It exposes a simple TESTABLE module type, a check function to
assert test predicates, and a run function to perform a list of unit -> unit test callbacks.

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Chapter 11 Testing Framework

11.2 Example
Let’s look at an example of using alcotest in Owl. Suppose you have implemented
some functions in the linear algebra module, including the functions such as rank,
determinant, inversion, etc., and try to test them before making a pull request. The
testing code can be included in one test unit, and each unit consists of four major
sections.
In the first section, we define some utility function and common constants which
will be used in the unit. For this example, we specify the required precision and some
predefined input data. Here, we use 1e-6 as the precision threshold. Two ndarrays are
deemed the same if the sum of their difference is less than 1e-6, as shown in mpow. The
predefined input data can also be defined in each test case, as in is_triu_1.

open Owl
open Alcotest

module M = Owl.Linalg.D

(* Section #1 *)

let approx_equal a b =
let eps = 1e-6 in
Stdlib.(abs_float (a -. b) < eps)

let x0 = Mat.sequential ~a:1. 1 6

The second section is the core. It contains the actual testing logic, for example,
whether the det function can correctly calculate the determinant of a given matrix. Every
testing function defined in the To_test module has self-contained logic to validate the
implementation of the target function.

(* Section #2 *)

module To_test = struct

  let rank () =
    let x = Mat.sequential 4 4 in
    M.rank x = 2

let det () =
let x = Mat.hadamard 4 in

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M.det x = 16.

  let vecnorm_01 () =
    let a = M.vecnorm ~p:1. x0 in
    approx_equal a 21.

  let vecnorm_02 () =
    let a = M.vecnorm ~p:2. x0 in
    approx_equal a 9.539392014169456

  let is_triu_1 () =
    let x = Mat.of_array [| 1.; 2.; 3.; 0.;
      5.; 6.; 0.; 0.; 9. |] 3 3 in
    M.is_triu x = true

  let mpow () =
    let x = Mat.uniform 4 4 in
    let y = M.mpow x 3. in
    let z = Mat.(dot x (dot x x)) in
    approx_equal Mat.(y - z |> sum') 0.

end

The most common test function used in Owl has the type unit -> bool. The idea
is that each test function compares a certain aspect of a function with expected results.
If there are multiple test cases for the same function, such as the case in vecnorm, we
tend to build different test cases instead of using one large test function to include all the
cases. The common pattern of these functions can be summarized as

let test_func () =
    let expected = expected_value in
    let result = func args in
    assert (expected = result)

It is important to understand that the equal sign does not necessarily mean the two
values have to be the same; in fact, if the floating-point number is involved, which is
quite often the case, we only need the two values to be approximately equal within an
error range. If that’s the case, you need to pay attention to which precision you are using:

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double or float. The same threshold might be enough for a single-precision float number,
but could still be a large error for double-precision computation.
The third section contains mostly boilerplate code which notifies the testing
framework two important pieces of information. The first one is the name of the testing
function, so the testing framework can store in its log for post-analysis. The second one
is the anticipated result which will be used by the testing framework to check against the
outcome of the testing function. If the outcome does not match the expected result, the
testing fails and the failure will be logged.
Here, we expect all the test functions to return true, though alcotest does support
testing returning a lot of other types such as string, int, etc. Please refer to its source file
for more details.

(* Section #3 *)

let rank () =
Alcotest.(check bool) "rank" true (To_test.rank ())

let det () =
Alcotest.(check bool) "det" true (To_test.det ())

let vecnorm_01 () =
Alcotest.(check bool) "vecnorm_01" true (To_test.vecnorm_01 ())

let vecnorm_02 () =
Alcotest.(check bool) "vecnorm_02" true (To_test.vecnorm_02 ())

let is_triu_1 () =
Alcotest.(check bool) "is_triu_1" true (To_test.is_triu_1 ())

let mpow () =
Alcotest.(check bool) "mpow" true (To_test.mpow ())

Now let us look at the last section of a test unit.

(* Section #4 *)

let test_set =
[ "rank", `Slow, rank
; "det", `Slow, det

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; "vecnorm_01", `Slow, vecnorm_01

  ; "vecnorm_02", `Slow, vecnorm_02
  ; "is_triu_1", `Slow, is_triu_1
  ; "mpow", `Slow, mpow ]

In the final section, we take functions from section 3 and put them into a list of test
set. The test set specifies the name and mode of the test. The test mode is either Quick
or Slow. Quick tests run on any invocations of the test suite. Slow tests are for stress tests
that run only on occasion, typically before a release or after a major change. We can
further specify the execution order of these testing functions.
After this step, the whole file is named unit_linalg.ml and put under the test/
directory, as with all other unit test files. Now the only thing left is to add it in the test_
runner.ml:

let () =
  Alcotest.run
    "Owl"
    [ "stats_rvs", Unit_stats_rvs.test_set
    ; "maths", Unit_maths.test_set
    ; "linear algebra", Unit_linalg.test_set
    ...
    ; "conv3d_mec", Unit_conv_mec_naive.Conv3D_MEC.test_set
    ; "conv2d_naive", Unit_conv_mec_naive.Conv2D_NAIVE.test_set
    ; "conv3d_naive", Unit_conv_mec_naive.Conv3D_NAIVE.test_set
    ; "dilated_conv2d", Unit_dilated_conv2d.test_set
    ; "dilated_conv3d", Unit_dilated_conv3d.test_set
    ; "base: algodiff diff", Unit_base_algodiff_diff.test_set
    ; "base: algodiff grad", Unit_base_algodiff_grad.test_set
    ; "base: slicing basic", Unit_base_slicing_basic.test_set
    ; "base: pooling2d", Unit_base_pool2d.test_set
    ; "base: pooling3d", Unit_base_pool3d.test_set
    ... ]

That’s all. Now you can try make test and check if the functions are implemented
well. The compilation result is shown in Figure 11-1. It shows that all tests are successful.

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Figure 11-1. All tests passed

What if one of the test functions does not pass? Let’s intentionally make a failing test,
such as asserting the matrix in the rank test equals 1 instead of the correct answer 2, and
run the test again.
As we can see in Figure 11-2, the failure was detected and logged directly onto the
standard output.

Figure 11-2. Error in tests

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11.3 What Could Go Wrong

“Who’s watching the watchers?” Beware that the test code itself is still code and thus can
also be wrong. We need to be careful in implementing the testing code. There are certain
cases that you may want to check.

Corner Cases
Corner cases involve situations that occur outside of normal operating parameters. That
is obvious in the testing of convolution operations. As the core operation in deep neural
networks, convolution is complex: it contains input, kernel, strides, padding, etc. as
parameters. Therefore, special cases such as 1x1 kernel, strides of different height and
width, etc. are tested in various combinations, sometimes with different input data.

module To_test_conv2d_back_input = struct

    (* conv2D, 1x1 kernel *)
    let fun00 () =
      let expected =
        [| 30.0; 36.0; 42.0; 66.0; 81.0; 96.0; 102.0
         ; 126.0; 150.0; 138.0; 171.0; 204.0
         ; 174.0; 216.0; 258.0; 210.0; 261.0; 312.0 |]
      in
      verify_value test_conv2d
        [| 1; 2; 3; 3 |] [| 1; 1; 3; 3 |] [| 1; 1 |]
        VALID expected

(* conv2D, 1x2 kernel, stride 3. width 5 *)

    let fun01 () =
      let expected =
        [| 2271.0; 2367.0; 2463.0
         ; 2901.0; 3033.0; 3165.0 |]
      in
      verify_value test_conv2d
        [| 1; 2; 3; 3 |] [| 2; 2; 3; 3 |] [| 1; 1 |]
        VALID expected

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(* conv2D, 1x2 kernel, stride 3, width 6 *)

let fun02 () = ...

(* conv2D, 1x2 kernel, stride 3, width 7 *)

let fun03 () = ...

(* conv2D, 2x2 kernel, padding: Same *)

let fun04 () = ...

...

(* conv2D, 2x2 kernel, stride 2, padding: Same *)

let fun09 () = ...

Test Coverage
Another issue is test coverage. It means the percentage of code for which an associated
test has existed. Though we don’t seek a strict 100% coverage for now, wider test
coverage is always a good idea. For example, in our implementation of the repeat
operation, depending on whether the given axes contain one or multiple integers, the
implementation changes. Therefore, in the test functions, it is crucial to cover both cases.

11.4 Use Functor
Note that we can still benefit from all the powerful features in OCaml such as the
functor. For example, in testing the convolution operations, we would like to test the
implementation of both that in the core library (which is implemented in C) and that in
the base library (in pure OCaml). Apparently, there is no need to write the same unit test
code twice for these two sets of implementation. To solve that problem, we have a test
file unit_conv2d_genericl.ml that has a large module that contains all the previous four
sections:

module Make (N : Ndarray_Algodiff with type elt = float) = struct

(* Section #1 - #4 *)
...
end

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And in the specific testing file for core implementation unit_conv2d.ml, it simply
contains one line of code:

include Unit_conv2d_generic.Make (Owl_algodiff_primal_ops.S)

Or in the test file for the base library unit_base_conv2d.ml:

include Unit_conv2d_generic.Make (Owl_base_algodiff_primal_ops.S)

11.5 Performance Tests
For a numerical library, being able to calculate correct results is not enough. How fast
a function can calculate also matters; actually, it matters a lot in modern real-time
data analysis, which has wide applications in many fields such finance, robotics, flight
control, etc. In addition to correctness, a performance test is also included in the Owl
testing framework. The following simple generic function runs a target function for
certain amount of times, then calculates the average speed:

(* test one operation c times, output the mean time *)

let test_op s c op =
  let ttime = ref 0. in
  for i = 1 to c do
    Gc.compact ();
    let t0 = Unix.gettimeofday () in
    let _ = op () in
    let t1 = Unix.gettimeofday () in
    ttime := !ttime +. (t1 -. t0)
  done;
  ttime := !ttime /. (float_of_int c);
  Printf.printf "| %s :\t %.8fs \n" s !ttime;
  flush stdout

This function for testing each operation is similar but prints out the traces more
eagerly in every iteration:

(* test one operation c time, output the used time in each evaluation *)
let test_op_each c op =
Printf.printf "| test some fun %i times\n" c;

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let ttime = ref 0. in

  for i = 1 to c do
    Gc.compact ();
    let t0 = Unix.gettimeofday () in
    let _ = op () in
    let t1 = Unix.gettimeofday () in
    Printf.printf "| #%0i\t:\t %.8fs \n" i (t1 -. t0);
    flush stdout;
    ttime := !ttime +. (t1 -. t0)
  done;
  ttime := !ttime /. (float_of_int c);
  Printf.printf "| avg.\t:\t %.8fs \n" !ttime

With these two generic functions, we can write up a list of tests very quickly. An
example that tests the execution time of various matrix operations is shown as follows:

let _ =
  Random.self_init ();
  let m, n = 5000, 20000 and c = 1 in
  print_endline (String.make 60 '+');
  Printf.printf "| test matrix size: %i x %i    exps: %i\n" m n c;
  print_endline (String.make 60 '-');
  let x, y = (M.uniform Float64 m n), (M.uniform Float64 m n) in
  test_op "empty             " c (fun () -> M.empty Float64 m n);
  test_op "zeros             " c (fun () -> M.zeros Float64 m n);
  test_op "col               " c (fun () -> M.col x (n-1));
  test_op "row               " c (fun () -> M.row x (m-1));
  test_op "cols              " c (fun () -> M.cols x [|1;2|]);
  test_op "rows              " c (fun () -> M.rows x [|1;2|]);
  test_op "map               " c (fun () -> M.map (fun y -> 0.) x);
  ...

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11.6 Summary
In this chapter, we briefly introduced how the unit tests are performed with the alcotest
framework in the existing Owl codebase. We used one example piece of test code for the
linear algebra module in Owl to demonstrate the general structure of the Owl test code.
We then discussed some tips we find helpful in writing tests, such as considering corner
cases, test coverage, and using functors to simplify the test code. In practice, we find the
unit tests come really handy in development, and we just cannot have too much of them.

Basic Analytics Examples

Owl supports a variety of classical numerical analytics methods, including mathematical
functions, linear algebra, statistics, ordinary differential equations, signal processing,
etc. In this appendix, we introduce some of the classic analytics supported in Owl and
architecture design.

A.1 Mathematical Functions

As the first step in classic analytics, Owl provides various sorts of mathematical
operations, from the basic ones such as addition or subtraction to complex ones such
as trigonometry functions to even more complex special functions such as the Beta
functions. They are included in the Maths module. These functions are fundamental
to any scientific computation applications in different fields including mathematical
analysis, physics, and so on.
To ensure performance, these functions are implemented in C. Many rely on the
standard math library in C such as those included in the math.h, and many special functions
are interfaced to the Cephes Mathematical Functions Library [39], a C language library that
provides implementation of such functions of interest to scientists and engineers. It provides
good cross-platform consistency and accurate long double computation.

A.2 Linear Algebra

Linear algebra is an important area of mathematics. It is widely used in all scientific
domains. As a result, optimized linear algebra routines have been well studied. The core
implementation of linear algebra follows the Basic Linear Algebra Subprograms (BLAS)
and Linear Algebra Package (LAPACK) interfaces. There are well-established libraries to
implement these interfaces, such as OpenBLAS and Intel MKL.

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Owl has implemented the full linear algebra interface to CBLAS and LAPACKE. You
might notice the extra C in CBLAS and E in LAPACKE because they are the corresponding
C interface of FORTRAN implementations. To this end, Owl has implemented several
internal modules. The Owl_cblas module provides the raw interface to CBLAS functions,
from levels 1 to 3. The interfaced functions have the same names as those in CBLAS. The
Owl_lapacke_generated module provides the raw interface to LAPACKE functions (over
1000), which also have the same names defined in lapacke.h. The Owl_lapacke module
is a very thin layer of interface between the Owl_lapacke_generated module and Linalg
module. The purpose is to provide a unified function to make generic functions over
different number types.
The functions in Owl_cblas and Owl_lapacke_generated are very low level,
for example, you need to deal with calculating parameters, allocating workspace,
postprocessing results, and many other tedious details. End users do not really need
to use them directly unless they have enough background in numerical analysis and
chase after the performance. So, for example, the LU factorization is performed using
the sgetrf or dgetrf function in the Owl_lapacke_generated module, the signature of
which looks like this:

val sgetrf : layout:int -> m:int -> n:int -> a:float ptr ->
lda:int -> ipiv:int32 ptr -> int

Instead of exposing all these parameters, the getrf function in the Owl_lapacke
module provides interfaces that are more straightforward:

val getrf : a:(`a, `b) t -> (`a, `b) t * (int32, int32_elt) t

These low-level functions provide more general access for users. If this still looks a
bit unfamiliar to you, in the Linalg module we have

val lu : (à, `b) t -> (à, `b) t * (à, `b) t * (int32, int32_elt) t

Here, the function lu x -> (l, u, ipiv) calculates the LU decomposition of

input matrix x and returns the L, U matrix together with the pivoting index. In practice,
a user should always use the Linalg module which gives you a high-level wrapper for
frequently used functions.
Following these CBLAS and LAPACKE implementations, Owl can be used to
facilitate the full scope of linear algebra topics, such as eigenvector and eigenvalue
(Linalg.S/D.eig), singular value decomposition (Linalg.S/D.svd), etc.

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A.3 Statistical Distributions

Statistical distributions are one of the most fundamental analytic tools in mathematics,
but are also prevalent in modern applications. For example, in both softmax activation
layers in a neural network and logistic regression, their outputs can be interpreted as
posterior distribution. To facilitate statistical functions, Owl provides the Stats module.
It contains many frequently used distributions, both discrete and continuous, such as
Gaussian, exponential, logistic, Laplace, Poisson, Rayleigh, etc. For each distribution,
there is a set of related functions having the distribution’s name as a common prefix. For
example, the module provides the following functions for the Gaussian distribution:

• gaussian_rvs, random number generator

• gaussian_pdf, probability density function

• gaussian_cdf, cumulative distribution function

• gaussian_ppf, percent point function (inverse of CDF)

• gaussian_sf, survival function (1 – CDF)

• gaussian_isf, inverse survival function (inverse of SF)

• gaussian_logpdf, logarithmic probability density function

• gaussian_logcdf, logarithmic cumulative distribution function

• gaussian_logsf, logarithmic survival function

Of these functions, the random number generator, probability density function,

and cumulative distribution function are the key functions for a given distribution. We
can use a simple binomial probability distribution as an example to demonstrate their
usages, as the following code shows. These routines provide intuitive interfaces.

# let x = [|0; 1; 2; 3|]

# let p = Array.map (Stats.binomial_pdf ~p:0.3 ~n:3) x
val p : float array =
[|0.342999999999999916; 0.440999999999999837;
0.188999999999999918; 0.0269999999999999823|]

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As in Ndarray, these functions are implemented in C code and interfaced to OCaml.

For example, the Cauchy random variable is implemented simply according to its
definition:

double cauchy_rvs(double loc, double scale) {

double std_cauchy_rvs = std_gaussian_rvs() / std_gaussian_rvs();
return loc + scale * std_cauchy_rvs;
}

Some of the implementations, though, require low-level pseudo-random number

generator functions to work. Random number generators are widely applied in fields
where unpredictable results are desirable, such as gambling, computer simulation,
cryptography, etc. Advanced analytics such as neural networks also rely on random
generators, for example, for weight initialization. Therefore, its performance is of
crucial importance. Owl utilizes the C-based SIMD-oriented Fast Mersenne Twister
(SFMT) generator that generates a 128-bit pseudorandom integer at one step, with good
performance on modern CPUs.

Table A-1. Functions in the FFT Module

Functions Description

fft ~axis x One-dimensional discrete Fourier transform

ifft ~axis x One-dimensional inverse discrete Fourier transform
rfft ~axis otyp x One-dimensional discrete Fourier transform for real input
irfft ~axis ~n otyp x One-dimensional inverse discrete Fourier transform for real input

A.4 Signal Processing

We rely on signals such as sound and images to convey information. Signal processing
is then the field concerned with analyzing, generating, and transforming signals.
Its applications can be found in a wide range of fields: audio processing, speech
recognition, image processing, communication system, data science, etc. The most
important functionality in signal processing is no doubt the fast Fourier transform (FFT).
Owl provides a series of FFT functions.

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The core functions in the FFT module are the fft function and its reverse rfft. This
module provides these basic FFT functions as listed in Table A-1. The inputs to these
functions are ndarrays. As with Ndarray, the FFT module also provides four number
types: float (S), double precision (D), single-precision complex (C), and double-precision
complex (Z). The axis specifies along which axis of the input ndarray a function is
performed. It is set to the highest dimension if not specified. The parameter n specifies
the size of output.
Here, we use a one-dimensional Fourier transform example to demonstrate the
usages of these functions, especially the most basic fft and its inverse transform
function ifft. We plot the FFT of the sum of two sine waves showing the power of FFT to
separate signals of different frequencies. This example uses 600 sampling points, and the
1
sample spacing is .
800
# module G = Dense.Ndarray.Generic
# let n = 600.
# let t = 1. /. 800.
# let x = Arr.linspace 0. (n *. t) (int_of_float n)
# let y1 = Arr.((50. *. 2. *. Owl_const.pi) $* x |> sin)
# let y2 = Arr.(0.5 $* ((80. *. 2. *. Owl_const.pi)
$* x |> sin))

In the preceding code, we create two sine signals of different frequencies:

1
y1 x sin 100 x , y 2 x sin 160 x , shown in Figure A-1a. We then mix them
2
together:

# let y = Arr.(y1 + y2) |> G.cast_d2z

The combined signal in Figure A-1b shows an irregular shape. Next, we apply FFT on
this mixed signal:

# let yf = Owl_fft.D.fft y

In the result yf, each tuple can be seen as a frequency vector in the complex space.
We can plot the length of these vectors, represented by z in the following code. Again, we
use only half of the elements that have positive frequencies in array yf. The plot is shown
in Figure A-1c.

# let z = Dense.Ndarray.Z.(abs yf |> re)

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Finally, we plot the result using the following code:

# let h = Plot.create "plot.png" in

  let xa = Arr.linspace 1. 600. 600 in
  Plot.plot ~h xa z;
  Plot.output h;;

The performance of FFT is an important and well-investigated issue. As a result,

there exist a lot of libraries that provide high-performance FFT routines, such as FFTW
and Intel MKL, which provides superb performance on a lot of modern Intel platforms.
The implementation of the FFT module in the Owl library interfaces to the FFTPACK C
language implementation. FFTPACK is an open source package of subprograms for the
fast Fourier transform of periodic and other symmetric sequences. It includes complex,
real, sine, cosine, and quarter-wave transforms.

Figure A-1. (a) Two sine signals of different frequencies, (b) combined signal, (c)
using FFT to separate two sine signals from their mixed signal

A.5 Ordinary Differential Equation

A differential equation is an equation that contains a function and one or more of its
derivatives. They have been studied ever since the invention of calculus, driven by
applications in fields including mechanics, astronomy, geometry, biology, engineering,
economics, and many more [56]. If the function and its derivatives in a differential
equation concern only one variable, we call it an ordinary differential equation (ODE),
and it can model a one-dimensional dynamical system. Owl provides the functionalities
to solve ODEs. In general, an ODE can be expressed as

F x ,y ,y ,,y n 0. (A.1)

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That is, as a function of derivatives with boundary conditions. They can be used to
model dynamical systems. The initial state of the system is called its initial values, and
these values are often known and can be represented as

y x x0 y 0 ,y y1 ,, (A.2)
x x1

where the y0, y1, etc. are known. The highest order of derivatives occurring in Eq. A.1 is
the order of the differential equation. A first-order differential equation can be generally
dy
expressed as f x ,y , where f is any function that contains x and y. Solving Eq.
dx
A.1 and fitting to the given initial values as in Eq. A.2 is called the initial value problem.
Solving such problems is the main target of many numerical ODE solvers.
A real-world system often contains multiple interdependent components, each
described by a function that evolves over time. For example, the Lorenz attractor system
has three components that change with time: the rate of convection in the atmospheric
flow and the horizontal and vertical temperature variations. Such system is an example
of first-order linear systems of ODE or just linear systems of ODE. Generally, if we have

y1 t a11 t a1n t g1 t

y t  , A t   ,and g t  ,
yn t an1 t ann t g n t

then a linear system can be expressed as

y t A t y t g t . (A.3)

This linear system contains n time-dependent components: y1(t), y2(t), …, yn(t).

As we will soon show, first-order linear systems are especially amenable to numerical
solution. Therefore, transforming a high-order single-component ODE into a linear
system is sometimes necessary as we will see in the two-body problem example. But let’s
get back to the start and examine the basics of solving ODEs numerically.
Built on the computational functionality and ndarray data structures already
introduced, the package owl_ode performs the tasks of solving the initial value problems.
We will use a classical linear oscillator system example to demonstrate how to use the

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owl-ode package to solve ODE problems. Consider the following time-independent

linear dynamic system of two states:

dy 1 1
Ay , where A .
dt 2 3

This equation represents an oscillator system where y is the state of the system, t is
time, and the initial state at t = 0 is y0 = [−1, 1]T. We wish to know the system state at t = 2.
The function can be expressed in Owl using the matrix module.

let f y t =
let a = [|[|1.; -1.|];[|2.; -3.|]|]|> Mat.of_arrays in
Mat.(a *@ y)

Next, we want to specify the timespan of this problem: from 0 to 2 using a step
of 0.001.

let tspec = Owl_ode.Types.

(T1 {t0 = 0.; duration = 2.; dt=1E-3})

The last requirement for solving the problem is to have the initial values:

let x0 = Mat.of_array [|-1.; 1.|] 2 1

Finally, we input these parameters to the rk4 solver in Owl_ode to obtain

# let ts, ys = Owl_ode.Ode.odeint

Owl_ode.Native.D.rk4 f x0 tspec ()

This is the rk4 solver, short for "fourth-order Runge-Kutta method," that we have
introduced before. The result shows both the steps ts and the system values at each
step ys.
The owl-ode library abstracts the initial value problems as four different parts:
• A function f to show how the system evolves in equation y′(t) = f (y, t)

• A specification of the timespan

• The system’s initial values

• And most importantly, a solver

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Indeed, the signature of a solver clearly indicates these four parts. Building on this
uniform abstraction, you can choose a suitable solver and use it to solve many complex
and practical ODE problems. Note that due to the difference of solvers, the requirements
of different solvers vary, for example, some require the state to be two matrices, while
others process data in a more general ndarray format.
The owl-ode library provides a wide range of solvers. It implements native solvers
based on the basic step-by-step update idea discussed earlier. There are also many
mature off-the-shelf tools for solving ODEs, and we interface to two of them: sundials1
and ODEPACK.2 Both are well implemented and widely used in practical use. For
example, the SciPy provides a Python wrap of the sundials, and NASA also uses its
CVODE/CVODES solvers for spacecraft trajectory simulations. The sundials is a SUite of
Nonlinear and DIfferential/ALgebraic equation Solvers. It contains six solvers, and we
interface to its CVODE solver for solving initial value problems. ODEPACK is a collection
of FORTRAN solvers for the initial value problem for ordinary differential equation
systems. We interface to its LSODA solver which is for solving the explicit form ODE.

1
https://computing.llnl.gov/projects/sundials
2
https://computing.llnl.gov/casc/odepack/

301
APPENDIX B

System Conventions
All software systems have their own rules and conventions with which developers
must comply, and Owl is no exception. In this appendix, we cover function naming
and various other conventions in the Owl library.

B.1 Pure vs. Impure

The Ndarray module contains functions to manipulate and perform mathematical
operations over ndarrays. The pure (or immutable) functions are those that do not
modify the provided variables but instead return a new one as a result. In contrast,
impure (or mutable) functions are those which modify the passed-in variables in place.
Functional programming in general promotes the use of immutable data structures
as impure functions make it more difficult to reason about the correctness of code. On
the other hand, generating a fresh 1000 × 1000 matrix every time you modify a single
element does not seem very practical. The introduction of impure functions into Owl
is thus only done under careful, practical consideration. In-place modification avoids
expensive memory allocation and deallocation which can significantly improve runtime
performance of a numerical application, especially when large ndarrays and matrices
are involved. Thus, many pure functions in the Ndarray module have corresponding
impure versions indicated by an underscore “_” added at the end of the function name.
For example, the following pure functions in the Arr module, Arr.sin and Arr.add, have
corresponding impure functions, Arr.sin_ and Arr.add_.
For unary operators such as Arr.sin_ x, the situation is rather straightforward when
x will be modified in place. However, binary operators are more complex. For example,
in Arr.add_scalar x a, x will be modified in place to store the final result – relatively
straightforward as a is a scalar. In Arr.add_ x y, the question is where to store the final
result when both inputs are ndarrays. Let’s look at the type of Arr.add_ function:

val Arr.add_ : ?out:Arr.arr -> Arr.arr -> Arr.arr -> unit

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Appendix B System Conventions

As we can see from the type signature, the output is specified in the optional out
parameter. If out is not provided, the first operand (x) will be attempted to store the final
result – as binary operators support broadcasting operations by default, when using
impure functions every dimension of the first argument x must not be smaller than that
of the second argument y. In other words, impure functions only allow broadcasting
smaller y onto an x that is big enough to accommodate the result.
Most binary math functions have an associated shorthand operator, such as +, -, *,
and /. The impure versions also have associated operators, for example, rather than Arr.
(x + y) which returns the result in a new ndarray, you can write Arr.(x += y) which
adds x and y and saves the result into x. These operators are listed in Table B-1.

Table B-1. Alias of Pure and Impure Binary Math Functions

Function Name Pure Impure

add + +=
sub - -=
mul * *=
div / /=
add_scalar +$ +$=
sub_scalar -$ -$=
mul_scalar *$ *$=
div_scalar /$ /$=

B.2 Ndarray vs. Scalar

There are three general ndarray operators: map, scan, and reduce. Many Ndarray functions
can be categorized as reduce operations, such as Arr.sum, Arr.prod, Arr.min, Arr.mean,
and Arr.std. For example, we can sum all the elements in an ndarray using sum function.

let x = Arr.sequential [|3;3;3|];;

let a = Arr.sum x;;

The result is a one-element ndarray, so to treat it as a scalar, you must retrieve the
single value by calling the get function.

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Appendix B System Conventions

let b = Arr.get a [|0|] in

b +. 10.;;

This becomes inconvenient in OCaml if we must always extract the scalar value from
the return of reduce operations. In languages like Python and Julia, the return type is
dynamically determined, but OCaml’s strong typing requires that we either use a unified
type or implement another set of functions. In the end, Owl picked the latter in its
design, so every reduce operation has two versions:
• One allowing you to reduce along the specified axis or to reduce all
the elements, but always returning an ndarray

• One that reduces all the elements, always returning a scalar value

The difference between the two is indicated by naming those returning a scalar with
an extra “'” character in their names. For example, those functions returning an ndarray
are named Arr.sum, Arr.prod, mean, etc., while those returning a scalar are named Arr.
sum’, Arr.prod’, mean’, etc.

B.3 Module Structures

Owl’s Dense module contains modules supporting dense data structures such as Dense.
Matrix supporting operations on dense matrices and the Sparse module with modules
supporting sparse data structures. We have four basic modules: dense ndarray, dense
matrix, sparse ndarray, and sparse matrix. In this book, we mostly use Dense modules,
and, indeed, the matrix modules are a special case that’s built upon the corresponding
ndarray modules.
With Dense.Ndarray, we can create a dense n-dimensional array of no more than 16
dimensions. This constraint originates from the underlying Bigarray.Genarray module
in OCaml. In practice, this constraint makes sense since the space requirement will
explode as the dimension increases. If you need anything higher than 16 dimensions,
you need to use Sparse.Ndarray to create a sparse data structure. All four modules
consist of five submodules to handle different types of numbers:

• The S module supports single-precision float numbers float32.

• The D module supports double-precision float numbers float64.

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Appendix B System Conventions

• The C module supports single-precision complex numbers

complex32.

• The Z module supports double-precision complex numbers

complex64.

• The Generic module supports all aforementioned number types

via a GADT.

Technically, S, D, C, and Z are wrappers of the Generic module with explicit type
information provided. Therefore, you can save the type constructor which was passed
into the Generic module if you use these submodules directly. In short, the Generic
module can do everything that submodules can, but for some functions (e.g., creation),
you must explicitly pass in the type information.
In practice, we often work with double-precision numbers, so Owl provides shortcuts
to the data structures of double-precision floating-point numbers. Arr is equivalent to
double-precision real Dense.Ndarray.D, and, similarly, Mat is equivalent to double-
precision real Dense.Matrix.D. These two modules are frequently used in this book. You
can cast one value from one type to another one by using the cast_* functions in the
Generic module. For example, Generic.cast_s2d casts from float32 to float64, and
Generic.cast_c2z casts from complex32 to complex64.
Many functions in the Generic module can handle the aforementioned four different
number types. This polymorphism is achieved by pattern matching and general abstract
data type in OCaml. In the following code, we use the sum function in the Dense.Matrix.
Generic module as an example:

open Owl;;

let x = Dense.Matrix.S.eye 5 in
Dense.Matrix.Generic.sum x;;

let x = Dense.Matrix.D.eye 5 in
Dense.Matrix.Generic.sum x;;

let x = Dense.Matrix.C.eye 5 in
Dense.Matrix.Generic.sum x;;

let x = Dense.Matrix.Z.eye 5 in
Dense.Matrix.Generic.sum x;;

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Appendix B System Conventions

As we can see, no matter what kind of numbers are held in an identity matrix, we
can always pass it to the Dense. Matrix.Generic.sum function. Similarly, we can do
the same thing for other modules (Dense.Ndarray, Sparse. Matrix, etc.) and other
functions (add, mul, neg, etc.).

B.4 Infix Operators

In each Ndarray and Matrix module, some frequently used functions have the
corresponding infix operators as convenient aliases. Table B-2 summarizes the
operators. In the table, both x and y represent either a matrix or an ndarray, while a
represents a scalar value.
Several things in this table should be noted:

• +$ has its corresponding operator $+ if we flip the order of

parameters. However, it is important to be very careful about
operator precedence in these cases: OCaml determines precedence
based on the first character of the infix operator. +$ preserves the
precedence, whereas $+ does not. We thus recommend using $+
with great care and always using parentheses to explicitly specify
precedence. The same applies to $-, $*, and $/.

• For comparison operators, for example, both = and =. compare all

the elements in two variables x and y. The difference is that = returns
a boolean value, whereas =. returns a matrix or ndarray of the same
shape and type as x and y. In the returned result, the value in a given
position is 1 if the values of the corresponding position in x and y
satisfy the predicate; otherwise, it is 0.

• The comparison operators ending with $ are used to compare a

matrix/ndarray to a scalar value.

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Appendix B System Conventions

Table B-2. Infix Operators in Ndarray and Matrix Modules

Operator Example Operation Dense/Sparse Ndarray/Matrix

+ x + y Element-wise add Both Both

- x - y Element-wise sub Both Both
* x * y Element-wise mul Both Both
/ x / y Element-wise div Both Both
+$ x +$ a Add scalar Both Both
-$ x -$ a Sub scalar Both Both
*$ x *$ a Mul scalar Both Both
/$ x /$ a Div scalar Both Both
$+ a $+ x Scalar add Both Both
$- a $- x Scalar sub Both Both
$* a $* x Scalar mul Both Both
$/ a $/ x Scalar div Both Both
= x = y Comparison Both Both
!= x != y Comparison Both Both
x <> y Same as != Both Both
> x > y Comparison Both Both
< x < y Comparison Both Both
>= x >= y Comparison Both Both
<= x <= y Comparison Both Both
=. x =. y Element-wise cmp Dense Both
!=. x !=. y Element-wise cmp Dense Both
. x <>. y Same as !=. Dense Both
>. x >. y Element-wise cmp Dense Both
<. x <. y Element-wise cmp Dense Both
=$ x =$ y Comp to scalar Dense Both

(continued)

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Appendix B System Conventions

Table B-2. (continued)

Operator Example Operation Dense/Sparse Ndarray/Matrix

!=$ x !=$ y Comp to scalar Dense Both

$ x <>$ y Same as != Dense Both
>$ x >$ y Compare to scalar Dense Both
<$ x <$ y Compare to scalar Dense Both
>=$ x >=$ y Compare to scalar Dense Both
<=$ x <=$ y Compare to scalar Dense Both
=.$ x =.$ y Element-wise cmp Dense Both
!=.$ x !=.$ y Element-wise cmp Dense Both
.$ x <>.$ y Same as !=.$ Dense Both
>.$ x >.$ y Element-wise cmp Dense Both
<.$ x <.$ y Element-wise cmp Dense Both
>=.$ x >=.$ y Element-wise cmp Dense Both
<=.$ x <=.$ y Element-wise cmp Dense Both
=~` x =~ y Approx = Dense Both
=~$ x =~$ y Approx =$ Dense Both
=~. x =~. y Approx =. Dense Both
=~.$ x =~.$ y Approx =.$ Dense Both
% x % y Mod divide Dense Both
%$ x %$ a Mod divide scalar Dense Both
** x ** y Power function Dense Both
*@ x *@ y Matrix multiply Both Matrix
/@ x /@ y Solve linear system Both Matrix
**@ x **@ a Matrix power Both Matrix
@= x @= y Concatenate vertically Dense Both
@— — x @— y — Concatenate horizontally Dense Both

309
APPENDIX C

Metric Systems
and Constants
In many scientific computing problems, numbers are not abstract but reflect the realistic
meanings. In other words, these numbers only make sense on top of a well-defined
metric system. For example, when we talk about the distance between two objects, we
write down a number 30, but what does 30 mean in reality? Is it meters, kilometers,
miles, or lightyears? Another example, what is the speed of light? Well, this really
depends on what metrics you are using, for example, km/s, m/s, mile/h, etc. Things can
get really messy in computation if we do not unify the metric system in a numerical
library. The translation between different metrics is often important in a real-world
application; therefore, a full-featured numerical library is obliged to provide sufficient
support for managing different metric systems. In this appendix, we briefly introduce the
metric system and constants provided in the Owl library to support scientific computing.

C.1 Four Metric Systems

There are four metrics adopted in Owl, and all of them are wrapped in the Owl.
Const module:
• Const.SI: International System of Units

• Const.MKS: MKS System of Units

• Const.CGS: Centimeter-Gram-Second System of Units

• Const.CGSM: Electromagnetic System of Units

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Appendix C Metric Systems and Constants

All the metrics defined in these four systems can be found in the interface file owl_
const.mli. In general, SI is much newer and recommended to use. The International
System of Units (French: Système international d’unités, SI) is historically also called
the MKSA system of units for meter-kilogram-second-ampere. The SI system of units
extends the MKS system and has seven base units, by expressing any measurement
of physical quantities using fundamental units of length, mass, time, electric current,
thermodynamic temperature, amount of substance, and luminous intensity, which are
meter, kilogram, second, ampere, kelvin, mole, and candela, respectively.
With a well-defined metric system, we can safely talk about the distance between
two objects, light of speed, and a lot of other real-world stuff with a well-defined metric
system in Owl. See the following examples:

Const.SI.light_year;; (* light year in SI system *)

Const.MKS.light_year;;    (* light year in MKS system *)
Const.CGS.light_year;;    (* light year in CGS system *)
Const.CGSM.light_year;;   (* light year in CGSM system *)

How about Planck’s constant?

Const.SI.plancks_constant_h;;     (* in SI system *)
Const.MKS.plancks_constant_h;;    (* in MKS system *)
Const.CGS.plancks_constant_h;;    (* in CGS system *)
Const.CGSM.plancks_constant_h;;   (* in CGSM system *)

Table C-1 shows some physical constants that the SI module includes.
As a computer scientist, you must be familiar with prefixes such as kilo, mega,
and giga. The SI system includes the definition of these prefixes as well. But be careful
(especially for computer science guys), the base is 10 instead of 2. These prefixes are
defined in the Const.Prefix module.

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Appendix C Metric Systems and Constants

Table C-1. Physical Constants

Constant Name Explanation

speed_of_light Speed of light in vacuum

gravitational_constant Newtonian constant of gravitation
plancks_constant_h Planck constant
plancks_constant_hbar Reduced Planck constant
astronomical_unit One astronomical unit in meters
light_year One light year in meters
parsec One light year in meters
grav_accel Standard acceleration of gravity
electron_volt Electron volt
mass_electron Electron mass
mass_muon Muon mass
mass_proton Proton mass
mass_neutron Neutron mass
rydberg Rydberg constant
boltzmann Boltzmann constant
molar_gas Molar gas constant
standard_gas_volume Molar volume of ideal gas (273.15 K, 100 kPa)
bohr_radius Bohr radius
stefan_boltzmann_constant Stefan-Boltzmann constant
thomson_cross_section Thomson cross section in square meter
bohr_magneton Bohr magneton in Joules per Tesla
nuclear_magneton Nuclear magneton in Joules per Tesla
electron_magnetic_moment Electron magnetic moment in Joules per Tesla
proton_magnetic_moment Proton magnetic moment in Joules per Tesla
faraday Faraday constant
(continued)

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Appendix C Metric Systems and Constants

Table C-1. (continued)

Constant Name Explanation

electron_charge Electron volt in Joules

vacuum_permittivity Vacuum electric permittivity
vacuum_permeability Vacuum magnetic permeability
debye One debye in coulomb meter
gauss One gauss in maxwell per square meter

module Prefix = struct

  let fine_structure = 7.297352533e-3
  let avogadro       = 6.02214199e23
  let yotta          = 1e24
  let zetta          = 1e21
  let exa            = 1e18
  let peta           = 1e15
  let tera           = 1e12
  let giga           = 1e9
  let mega           = 1e6
  let kilo           = 1e3
  let hecto          = 1e2
  let deca           = 1e1
  let deci           = 1e-1
  let centi          = 1e-2
  let milli          = 1e-3
  let micro          = 1e-6
  let nano           = 1e-9
  let pico           = 1e-12
  let femto          = 1e-15
  let atto           = 1e-18
  let zepto          = 1e-21
  let yocto          = 1e-24
end

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Appendix C Metric Systems and Constants

Some basic mathematical constants are also provided in Owl, though some
constants in advanced mathematics are not yet included such as the golden ratio or
Euler-Mascheroni constant. They are shown in Table C-2.

Table C-2. Math Constants

Constant Name Explanation

pi Pi
e Natural constant
euler Euler constant

Besides these constants, we also provide some frequently used computations based
on them, including
• log2e is defined as ( log 2 e ).

• log10e is defined as ( log10 e ).

• loge2 is defined as ( log e 2 ).

• loge10 is defined as ( log e 10 ).

• logepi is defined as ( log e π ).

• pi2 is defined as (2π).

• pi4 is defined as (4π).

• pi_2 is defined as (π/2).

• pi_4 is defined as (π/4).

1
• sqrt1_2 is defined as ( ).
2
• sqrt2 is defined as ( 2 ).

• sqrt3 is defined as ( 3 ).

• sqrtpi is defined as ( π ).

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Appendix C Metric Systems and Constants

C.2 International System of Units

Now that you know how to use constants, we will use the International System of Units
(SI) module as an example to show the constants we include in Owl. The source code is
included as follows from where you can check the real values defined for all constants:

module SI = struct
  let speed_of_light = 2.99792458e8
  let gravitational_constant = 6.673e-11
  let plancks_constant_h = 6.62606896e-34
  let plancks_constant_hbar = 1.05457162825e-34
  let astronomical_unit = 1.49597870691e11
  let light_year = 9.46053620707e15
  let parsec = 3.08567758135e16
  let grav_accel = 9.80665e0
  let electron_volt = 1.602176487e-19
  let mass_electron = 9.10938188e-31
  let mass_muon = 1.88353109e-28
  let mass_proton = 1.67262158e-27
  let mass_neutron = 1.67492716e-27
  let rydberg = 2.17987196968e-18
  let boltzmann = 1.3806504e-23
  let molar_gas = 8.314472e0
  let standard_gas_volume = 2.2710981e-2
  let minute = 6e1
  let hour = 3.6e3
  let day = 8.64e4
  let week = 6.048e5
  let inch = 2.54e-2
  let foot = 3.048e-1
  let yard = 9.144e-1
  let mile = 1.609344e3
  let nautical_mile = 1.852e3
  let fathom = 1.8288e0
  let mil = 2.54e-5
  let point = 3.52777777778e-4
  let texpoint = 3.51459803515e-4
316
Appendix C Metric Systems and Constants

let micron = 1e-6

  let angstrom = 1e-10
  let hectare = 1e4
  let acre = 4.04685642241e3
  let barn = 1e-28
  let liter = 1e-3
  let us_gallon = 3.78541178402e-3
  let quart = 9.46352946004e-4
  let pint = 4.73176473002e-4
  let cup = 2.36588236501e-4
  let fluid_ounce = 2.95735295626e-5
  let tablespoon = 1.47867647813e-5
  let teaspoon = 4.92892159375e-6
  let canadian_gallon = 4.54609e-3
  let uk_gallon = 4.546092e-3
  let miles_per_hour = 4.4704e-1
  let kilometers_per_hour = 2.77777777778e-1
  let knot = 5.14444444444e-1
  let pound_mass = 4.5359237e-1
  let ounce_mass = 2.8349523125e-2
  let ton = 9.0718474e2
  let metric_ton = 1e3
  let uk_ton = 1.0160469088e3
  let troy_ounce = 3.1103475e-2
  let carat = 2e-4
  let unified_atomic_mass = 1.660538782e-27
  let gram_force = 9.80665e-3
  let pound_force = 4.44822161526e0
  let kilopound_force = 4.44822161526e3
  let poundal = 1.38255e-1
  let calorie = 4.1868e0
  let btu = 1.05505585262e3
  let therm = 1.05506e8
  let horsepower = 7.457e2
  let bar = 1e5
  let std_atmosphere = 1.01325e5
317
Appendix C Metric Systems and Constants

let torr = 1.33322368421e2

  let meter_of_mercury = 1.33322368421e5
  let inch_of_mercury = 3.38638815789e3
  let inch_of_water = 2.490889e2
  let psi = 6.89475729317e3
  let poise = 1e-1
  let stokes = 1e-4
  let stilb = 1e4
  let lumen = 1e0
  let lux = 1e0
  let phot = 1e4
  let footcandle = 1.076e1
  let lambert = 1e4
  let footlambert = 1.07639104e1
  let curie = 3.7e10
  let roentgen = 2.58e-4
  let rad = 1e-2
  let solar_mass = 1.98892e30
  let bohr_radius = 5.291772083e-11
  let newton = 1e0
  let dyne = 1e-5
  let joule = 1e0
  let erg = 1e-7
  let stefan_boltzmann_constant = 5.67040047374e-8
  let thomson_cross_section = 6.65245893699e-29
  let bohr_magneton = 9.27400899e-24
  let nuclear_magneton = 5.05078317e-27
  let electron_magnetic_moment = 9.28476362e-24
  let proton_magnetic_moment = 1.410606633e-26
  let faraday = 9.64853429775e4
  let electron_charge = 1.602176487e-19
  let vacuum_permittivity = 8.854187817e-12
  let vacuum_permeability = 1.25663706144e-6
  let debye = 3.33564095198e-30
  let gauss = 1e-4
end
318
Appendix C Metric Systems and Constants

These units are all derived from the seven basic units we have mentioned and can be
categorized according to different application fields.
Time: The time units are shown in Table C-3. The base SI unit for time measurement
is second.

Table C-3. Time Units

Constant Name Explanation

Minute One minute in seconds

Hour One hour in seconds
Day One day in seconds
week One week in seconds

Length: The length units are shown in Table C-4. The base SI unit for length
measurement is meter.

Table C-4. Length Units

Constant Name Explanation

inch One inch in meters

foot One foot in meters
yard One yard in meters
mile One mile in meters
mil One mil in meters
fathom One fathom in meters
point One point in meters
micron One micron in meters
angstrom One angstrom in meters
nautical_mile One nautical_mile in meters

Area: The area units are shown in Table C-5. Measuring area and volume still relies
on the SI base unit meter.

319
Appendix C Metric Systems and Constants

Table C-5. Area Units

Constant Name Explanation

hectare One hectare in square meters

acre One acre in square meters
barn One barn in square meters

Volume: The volume units are shown in Table C-6. The base SI unit for volume
measurement is cubic meter.

Table C-6. Volume Units

Constant Name Explanation

liter One liter in cubic meters

us_gallon One gallon (US) in cubic meters
uk_gallon One gallon (UK) in cubic meters
canadian_gallon One Canadian gallon in cubic meters
quart One quart in cubic meters
cup One cup in cubic meters
pint One pint in cubic meters
fluid_ounce One fluid ounce (US) in cubic meters
tablespoon One tablespoon in cubic meters

Speed: The speed units are shown in Table C-7. The base units for speed are that of
time and length.

Table C-7. Speed Units

Constant Name Explanation

miles_per_hour Miles per hour in meters per second

kilometers_per_hour Kilometers per hour in meters per second
knot One knot in meters per second

320
Appendix C Metric Systems and Constants

Mass: The mass units are shown in Table C-8. The base unit for presenting mass is
kilogram (kg).

Table C-8. Mass Units

Constant Name Explanation

pound_mass One pound (avoirdupois) in kg

ounce_mass One ounce in kg
metric_ton 1000 kg
ton One short ton in kg
uk_ton One long ton in kg
troy_ounce One Troy ounce in kg
carat One carat in kg
unified_atomic_mass Atomic mass constant
solar_mass One solar mass in kg

Force: The force units are shown in Table C-9. Measuring force relies on
the SI derived unit, newton, and one newton is equal to one kilogram meter per
squared second.

Table C-9. Force Units

Constant Name Explanation

newton SI derived unit (kg ⋅ m ⋅ s−2)

gram_force One gram force in newtons
kilogram_force One kilogram force in newtons
pound_force One pound force in newtons
poundal One poundal in newtons
dyne One dyne in newtons

Energy: The energy units are shown in Table C-10. The unit of measuring the energy
level is joule, which is equal to one kilogram square meter per square second.

321
Appendix C Metric Systems and Constants

Table C-10. Energy Units

Constant Name Explanation

joule SI base unit

calorie One calorie (thermochemical) in Joules
btu One British thermal unit (International Steam Table) in Joules
therm One therm (US) in Joules
erg One erg in Joules

Power: The energy units are shown in Table C-11. The unit of power is watts, an SI
derived unit. One watt is equal to one kilogram square meter per cubic second, or one
Joule per second.

Table C-11. Power Units

Constant Name Explanation

horsepower One horsepower in watts

Pressure: The pressure units are shown in Table C-12. To measure pressure, we often
use pascal as a standard unit. One pascal is equal to a kilogram per meter per square
second, or a newton per square meter.

Table C-12. Pressure Units

Constant Name Explanation

bar One bar in pascals

std_atmosphere Standard atmosphere in pascals
torr One torr (mmHg) in pascals
meter_of_mercury One meter of mercury in pascals
inch_of_mercury One inch of mercury in pascals
inch_of_water One inch of water in pascals
psi One psi in pascals

322
Appendix C Metric Systems and Constants

Viscosity: The viscosity units are shown in Table C-13. The poise is a unit in dynamic
viscosity, and the “stokes” is for kinematic viscosity. They are actually included in the
CGS-based system for electrostatic units.

Table C-13. Viscosity Units

Constant Name Explanation

poise Base unit

stokes Base unit

Luminance: The luminance units are shown in Table C-14. Candela is the base unit
for luminance, and both lumen and lux are derived units.

Table C-14. Luminance Units

Constant Name Explanation

stilb Candela per square meter

lumen Luminous flux, Candela square radian, SI derived unit
phot Base unit
lux One lux in phots, SI derived unit
footcandle One footcandle in phots
lambert Base unit
footlambert One footlambert in lambert

Radioactivity: The radioactivity units are shown in Table C-15. The SI unit of
radioactivity is becquerel, named in honor of the scientist Henri Becquerel, defined as
one transformation (or decay or disintegration) per second. The other base units such as
ampere, second, and kilogram are also used.

323
Appendix C Metric Systems and Constants

Table C-15. Radioactivity Units

Constant Name Explanation

curie One curie in becquerel

roentgen One ampere second per kilogram
rad Erg per gram

324
APPENDIX D

Algodiff Module
In the rest of appendixes, we provide some important pieces of source code of several
Owl modules. It complements existing materials we have discussed in this book, so that
the readers can have a deeper understanding of how they work.
In this appendix, we provide the full source code of several components in the
algorithmic differentiation module. It consists of three parts. First are the templates
to generate operators (owl_algodiff_ops_builder.ml) and examples that generate
operators using these templates (owl_algodiff_ops.ml). Learning these code is
instrumental in understanding how AD works. Second are the core functionalities
provided in owl_algodiff_core.ml and owl_algodiff_generic.ml. These
functionalities look simple enough, but they make the backbone of the whole module.
Third is the graph traversal module that can convert the AD graph into multiple formats.
It comes handy when debugging and better understanding the details of an AD graph.

D.1 Operator Building

The builder templates:

(** owl_algodiff_ops_builder.ml *)

module Make (Core : Owl_algodiff_core_sig.Sig) = struct

open Core

let cmp_tag ai bi = if ai > bi then 1 else if ai < bi then -1 else 0

module type Siso = sig

    val label : string
    val ff_f : A.elt -> t
    val ff_arr : A.arr -> t

325
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5
Appendix D Algodiff Module

val df : t -> t -> t -> t

val dr : t -> t -> t ref -> t
end

  let build_siso =
    (* single input single output operation *)
    let op_siso ~ff ~fd ~df ~r a =
      match a with
      | DF (ap, at, ai)         ->
        let cp = fd ap in
        DF (cp, df cp ap at, ai)
      | DR (ap, _, _, _, ai, _) ->
        let cp = fd ap in
        DR (cp, ref (zero cp), r a, ref 0, ai, ref 0)
      | ap                      -> ff ap
    in
    fun (module S : Siso) ->
      let rec f a =
        let open S in
        let ff = function
          | F a   -> S.ff_f a
          | Arr a -> S.ff_arr a
          | _     -> error_uniop label a
        in
        let fd a = f a in
        let r a =
          let adjoint cp ca t = (S.dr (primal a) cp ca, a) :: t in
          let register t = a :: t in
          let label = S.label, [ a ] in
          adjoint, register, label
        in
        op_siso ~ff ~fd ~df:S.df ~r a
      in
      f

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Appendix D Algodiff Module

module type Sipo = sig

val label : string

val ff_f : A.elt -> t * t

val ff_arr : A.arr -> t * t

val df : t -> t -> t -> t

val dr : t -> t -> t ref * t ref -> t ref * t ref -> t

end

  let build_sipo =
    (* single input pair outputs operation *)
    let op_sipo ~ff ~fd ~df ~r a =
      match a with
      | DF (ap, at, ai)         ->
        let cp1, cp2 = fd ap in
        DF (cp1, df cp1 ap at, ai), DF (cp2, df cp2 ap at, ai)
      | DR (ap, _, _, _, ai, _) ->
        let cp1, cp2 = fd ap in
        let ca1_ref = ref (zero cp1) in
        let ca2_ref = ref (zero cp2) in
        let cp1_ref = ref cp1 in
        let cp2_ref = ref cp2 in
        let tracker = ref 0 in
        (* tracker: int reference In reverse_reset, i keeps track of the
number of times
           cp1 and cp2 has been called such that in reverse_push, we do not
update the
           adjoint of ap before we've fully updated both ca1 and ca2 *)
        ( DR
            ( cp1
            , ca1_ref
            , r (a, (cp1_ref, cp2_ref), (ca1_ref, ca2_ref))
            , ref 0
            , ai
            , tracker )

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Appendix D Algodiff Module

        , DR
            ( cp2
            , ca2_ref
            , r (a, (cp1_ref, cp2_ref), (ca1_ref, ca2_ref))
            , ref 0
            , ai
            , tracker ) )
      | ap                      -> ff ap
    in
    fun (module S : Sipo) ->
      let rec f a =
        let open S in
        let ff = function
          | F a   -> S.ff_f a
          | Arr a -> S.ff_arr a
          | _     -> error_uniop label a
        in
        let fd = f in
        let r (a, cp_ref, ca_ref) =
          let adjoint cp _ca t = (S.dr (primal a) cp cp_ref ca_ref,
a) :: t in
          let register t = a :: t in
          let label = S.label, [ a ] in
          adjoint, register, label
        in
        op_sipo ~ff ~fd ~df ~r a
      in
      f

module type Sito = sig

val label : string

val ff_f : A.elt -> t * t * t

val ff_arr : A.arr -> t * t * t

val df : t -> t -> t -> t

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Appendix D Algodiff Module

val dr : t -> t -> t ref * t ref * t ref -> t ref * t ref * t ref -> t
end

  let build_sito =
    (* single input three outputs operation *)
    let op_sito ~ff ~fd ~df ~r a =
      match a with
      | DF (ap, at, ai)         ->
        let cp1, cp2, cp3 = fd ap in
        DF (cp1, df cp1 ap at, ai), DF (cp2, df cp2 ap at, ai), DF (cp3, df
cp3 ap at, ai)
      | DR (ap, _, _, _, ai, _) ->
        let cp1, cp2, cp3 = fd ap in
        let ca1_ref = ref (zero cp1) in
        let ca2_ref = ref (zero cp2) in
        let ca3_ref = ref (zero cp3) in
        let cp1_ref = ref cp1 in
        let cp2_ref = ref cp2 in
        let cp3_ref = ref cp3 in
        let tracker = ref 0 in
        ( DR
            ( cp1
            , ca1_ref
            , r (a, (cp1_ref, cp2_ref, cp3_ref), (ca1_ref, ca2_ref, ca3_ref))
            , ref 0
            , ai
            , tracker )
        , DR
            ( cp2
            , ca2_ref
            , r (a, (cp1_ref, cp2_ref, cp3_ref), (ca1_ref, ca2_ref,
ca3_ref))
            , ref 0
            , ai
            , tracker )

329
Appendix D Algodiff Module

        , DR
            ( cp3
            , ca3_ref
            , r (a, (cp1_ref, cp2_ref, cp3_ref), (ca1_ref, ca2_ref, ca3_ref))
            , ref 0
            , ai
            , tracker ) )
      | ap                      -> ff ap
    in
    fun (module S : Sito) ->
      let rec f a =
        let open S in
        let ff = function
          | F a   -> S.ff_f a
          | Arr a -> S.ff_arr a
          | _     -> error_uniop label a
        in
        let fd = f in
        let r (a, cp_ref, ca_ref) =
          let adjoint cp _ca t = (S.dr (primal a) cp cp_ref ca_ref,
a) :: t in
          let register t = a :: t in
          let label = S.label, [ a ] in
          adjoint, register, label
        in
        op_sito ~ff ~fd ~df ~r a
      in
      f

module type Siao = sig

val label : string

val ff_f : A.elt -> t array

val ff_arr : A.arr -> t array

val df : t array -> t -> t -> t array

330
Appendix D Algodiff Module

val dr : t -> t -> t ref array -> t ref array -> t

end

  let build_siao =
    (* single input array outputs operation *)
    let op_siao ~ff ~fd ~df ~r a =
      match a with
      | DF (ap, at, ai)         ->
        let cp_arr = fd ap in
        let ct_arr = df cp_arr ap at in
        Array.map2 (fun cp ct -> DF (cp, ct, ai)) cp_arr ct_arr
      | DR (ap, _, _, _, ai, _) ->
        let cp_arr = fd ap in
        let cp_arr_ref = Array.map (fun cp -> ref cp) cp_arr in
        let tracker = ref 0 in
        let ca_ref_arr = Array.map (fun cp -> ref (zero cp)) cp_arr in
        Array.map2
          (fun cp ca_ref ->
            DR (cp, ca_ref, r (a, cp_arr_ref, ca_ref_arr), ref 0, ai,
tracker))
          cp_arr
          ca_ref_arr
      | ap                      -> ff ap
    in
    fun (module S : Siao) ->
      let rec f a =
        let open S in
        let ff = function
          | F a   -> S.ff_f a
          | Arr a -> S.ff_arr a
          | _     -> error_uniop label a
        in
        let fd = f in
        let r (a, cp_arr_ref, ca_arr_ref) =
          let adjoint cp _ca_ref t = (S.dr (primal a) cp cp_arr_ref ca_arr_
ref, a) :: t in

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Appendix D Algodiff Module

          let register t = a :: t in
          let label = S.label, [ a ] in
          adjoint, register, label
        in
        op_siao ~ff ~fd ~df ~r a
      in
      f

module type Piso = sig

val label : string

val ff_aa : A.elt -> A.elt -> t

val ff_ab : A.elt -> A.arr -> t

val ff_ba : A.arr -> A.elt -> t

val ff_bb : A.arr -> A.arr -> t

val df_da : t -> t -> t -> t -> t

val df_db : t -> t -> t -> t -> t

val df_dab : t -> t -> t -> t -> t -> t

val dr_ab : t -> t -> t -> t ref -> t * t

val dr_a : t -> t -> t -> t ref -> t

val dr_b : t -> t -> t -> t ref -> t

end

  let build_piso =
    (* pair input single output operation *)
    let op_piso ~ff ~fd ~df_da ~df_db ~df_dab ~r_d_d ~r_d_c ~r_c_d a b =
      match a, b with
      | F _ap, DF (bp, bt, bi) ->
        let cp = fd a bp in
        DF (cp, df_db cp a bp bt, bi)
      | DF (ap, at, ai), F _bp ->
        let cp = fd ap b in

332
Appendix D Algodiff Module

DF (cp, df_da cp ap at b, ai)

      | Arr _ap, DF (bp, bt, bi) ->
        let cp = fd a bp in
        DF (cp, df_db cp a bp bt, bi)
      | DF (ap, at, ai), Arr _bp ->
        let cp = fd ap b in
        DF (cp, df_da cp ap at b, ai)
      | F _ap, DR (bp, _, _, _, bi, _) ->
        let cp = fd a bp in
        DR (cp, ref (zero cp), r_c_d a b, ref 0, bi, ref 0)
      | DR (ap, _, _, _, ai, _), F _bp ->
        let cp = fd ap b in
        DR (cp, ref (zero cp), r_d_c a b, ref 0, ai, ref 0)
      | Arr _ap, DR (bp, _, _, _, bi, _) ->
        let cp = fd a bp in
        DR (cp, ref (zero cp), r_c_d a b, ref 0, bi, ref 0)
      | DR (ap, _, _, _, ai, _), Arr _bp ->
        let cp = fd ap b in
        DR (cp, ref (zero cp), r_d_c a b, ref 0, ai, ref 0)
      | DF (ap, at, ai), DR (bp, _, _, _, bi, _) ->
        (match cmp_tag ai bi with
        | 1  ->
          let cp = fd ap b in
          DF (cp, df_da cp ap at b, ai)
        | -1 ->
          let cp = fd a bp in
          DR (cp, ref (zero cp), r_c_d a b, ref 0, bi, ref 0)
        | _  -> failwith "error: forward and reverse clash at the
same level")
      | DR (ap, _, _, _, ai, _), DF (bp, bt, bi) ->
        (match cmp_tag ai bi with
        | -1 ->
          let cp = fd a bp in
          DF (cp, df_db cp a bp bt, bi)

333
Appendix D Algodiff Module

        | 1  ->
          let cp = fd ap b in
          DR (cp, ref (zero cp), r_d_c a b, ref 0, ai, ref 0)
        | _  -> failwith "error: forward and reverse clash at the
same level")
      | DF (ap, at, ai), DF (bp, bt, bi) ->
        (match cmp_tag ai bi with
        | 0 ->
          let cp = fd ap bp in
          DF (cp, df_dab cp ap at bp bt, ai)
        | 1 ->
          let cp = fd ap b in
          DF (cp, df_da cp ap at b, ai)
        | _ ->
          let cp = fd a bp in
          DF (cp, df_db cp a bp bt, bi))
      | DR (ap, _, _, _, ai, _), DR (bp, _, _, _, bi, _) ->
        (match cmp_tag ai bi with
        | 0 ->
          let cp = fd ap bp in
          DR (cp, ref (zero cp), r_d_d a b, ref 0, ai, ref 0)
        | 1 ->
          let cp = fd ap b in
          DR (cp, ref (zero cp), r_d_c a b, ref 0, ai, ref 0)
        | _ ->
          let cp = fd a bp in
          DR (cp, ref (zero cp), r_c_d a b, ref 0, bi, ref 0))
      | a, b -> ff a b
    in
    fun (module S : Piso) ->
      let rec f a b =
        let ff a b =
          match a, b with
          | F a, F b     -> S.ff_aa a b
          | F a, Arr b   -> S.ff_ab a b

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Appendix D Algodiff Module

| Arr a, F b -> S.ff_ba a b

          | Arr a, Arr b -> S.ff_bb a b
          | _            -> error_binop S.label a b
        in
        let fd = f in
        let r_d_d a b =
          let adjoint cp ca_ref t =
            let abar, bbar = S.dr_ab (primal a) (primal b) cp ca_ref in
            (abar, a) :: (bbar, b) :: t
          in
          let register t = a :: b :: t in
          let label = S.label ^ "_d_d", [ a; b ] in
          adjoint, register, label
        in
        let r_d_c a b =
          let adjoint cp ca_ref t = (S.dr_a (primal a) b cp ca_ref,
a) :: t in
          let register t = a :: t in
          let label = S.label ^ "_d_c", [ a; b ] in
          adjoint, register, label
        in
        let r_c_d a b =
          let adjoint cp ca_ref t = (S.dr_b a (primal b) cp ca_ref,
b) :: t in
          let register t = b :: t in
          let label = S.label ^ "_c_d", [ a; b ] in
          adjoint, register, label
        in
        op_piso
          ~ff
          ~fd
          ~df_da:S.df_da
          ~df_db:S.df_db
          ~df_dab:S.df_dab
          ~r_d_d

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Appendix D Algodiff Module

          ~r_d_c
          ~r_c_d
          a
          b
      in
      f

module type Aiso = sig

val label : string

val ff : t array -> t

val df : int list -> t -> t array -> t array -> t

val dr : int list -> t array -> t -> t ref -> t list
end

  let build_aiso =
    let build_info =
      Array.fold_left
        (fun (i, t, m, idxs) x ->
          match m, x with
          | _, F _ | _, Arr _ -> succ i, t, m, idxs
          | `normal, DR (_, _, _, _, t', _) -> succ i, t', `reverse, [ i ]
          | `forward, DR (_, _, _, _, t', _) ->
            if t' > t
            then succ i, t', `reverse, [ i ]
            else if t' = t
            then failwith "error: forward and reverse clash on the
same level"
            else succ i, t, `forward, idxs
          | `reverse, DR (_, _, _, _, t', _) ->
            if t' > t
            then succ i, t', `reverse, [ i ]
            else if t' = t
            then succ i, t', `reverse, i :: idxs
            else succ i, t, m, idxs
          | `normal, DF (_, _, t') -> succ i, t', `forward, [ i ]

336
Appendix D Algodiff Module

| `forward, DF (_, _, t') ->

            if t' > t
            then succ i, t', `forward, [ i ]
            else if t' = t
            then succ i, t', `forward, i :: idxs
            else succ i, t, `forward, idxs
          | `reverse, DF (_, _, t') ->
            if t' > t
            then succ i, t', `forward, [ i ]
            else if t' = t
            then failwith "error: forward and reverse clash on the
same level"
            else succ i, t, `reverse, idxs)
        (0, -50000, `normal, [])
    in
    fun (module S : Aiso) ->
      let rec f a =
        let _, max_t, mode, idxs = build_info a in
        let idxs = idxs |> List.rev in
        match mode with
        | `normal  -> S.ff a
        | `forward ->
          let ap =
            Array.map
              (fun x ->
                match x with
                | DF (p, _, t') ->
                  if max_t = t'
                  then p
                  else if t' > max_t
                  then failwith "no tags should be higher than max_t"
                  else x
                | x             -> x)
              a
          in

337
Appendix D Algodiff Module

          let cp = f ap in
          let at =
            let at = a |> Array.map zero in
            List.iter (fun k -> at. (k) <- tangent a. (k)) idxs;
            S.df idxs cp ap at
          in
          DF (cp, at, max_t)
        | `reverse ->
          let ap =
            Array.map
              (fun x ->
                match x with
                | DR (p, _, _, _, t', _) ->
                  if max_t = t'
                  then p
                  else if t' > max_t
                  then failwith "no tags should be higher than max_t"
                  else x
                | x                      -> x)
              a
          in
          let cp = f ap in
          let adjoint cp ca t =
            (* use primal of inputs to calculate adjoint *)
            let ar = S.dr idxs ap cp ca |> Array.of_list in
            List.append List.(mapi (fun i k -> ar. (i), a. (k)) idxs) t
          in
          let register t = List.fold_left (fun t i -> a. (i) :: t)
t idxs in
          let label = S.label, List.(map (fun i -> a. (i)) idxs) in
          DR (cp, ref (zero cp),
            (adjoint, register, label), ref 0, max_t, ref 0)
      in
      f
end

338
Appendix D Algodiff Module

(** owl_algodiff_ops.ml *)

module Make (Core : Owl_algodiff_core_sig.Sig) = struct

  open Core
  module Builder = Owl_algodiff_ops_builder.Make (Core)
  open Builder

module Maths = struct

    (* squeeze x so that it has shape s *)
    let rec _squeeze_broadcast x s =
      let shp_x = shape x in
      let dim_x = Array.length shp_x in
      let dim = Array.length s in
      if shp_x = s
      then x
      else if dim_x < dim
      then
        Printf.sprintf
          "_squeeze_broadcast: x must have dimension greater than %i,
instead has  \
           dimension %i"
          dim
          dim_x
        |> failwith
      else if dim = 0
      then sum' x
      else (
        let s, shp_x = Owl_utils_array.align `Left 1 s shp_x in
        let fold =
          Array.fold_left (fun (k, accu) shp_x ->
              if s. (k) = shp_x
              then succ k, accu
              else if s. (k) = 1
              then succ k, k :: accu
              else
                failwith

339
Appendix D Algodiff Module

                  Printf.(
                    sprintf
                      "_squeeze_broadcast: there ought to have been a
broadcasting error \
                       in the forward pass"))
        in
        let _, axis = fold (0, []) shp_x in
        let idxs = Array.of_list axis in
        sum_reduce ~axis:idxs x)

(* single input single output operations *)

    and _neg =
      lazy
        (build_siso
           (module struct
             let label = "neg"

let ff_f a = F A.Scalar.(neg a)

let ff_arr a = Arr A.(neg a)

let df _cp _ap at = neg at

let dr _a _cp ca = neg !ca

end : Siso))

and neg a = Lazy.force _neg a

    and _tan =
      lazy
        (build_siso
           (module struct
             let label = "tan"

let ff_f a = F A.Scalar.(tan a)

let ff_arr a = Arr A.(tan a)

let df _cp ap at = at / sqr (cos ap)

340
Appendix D Algodiff Module

let dr a _cp ca = !ca / sqr (cos a)

end : Siso))

and tan a = Lazy.force _tan a

and ( / ) a b = div a b

    and _div =
      lazy
        (build_piso
           (module struct
             let label = "div"

let ff_aa a b = F A.Scalar.(div a b)

let ff_ab a b = Arr A.(scalar_div a b)

let ff_ba a b = Arr A.(div_scalar a b)

let ff_bb a b = Arr A.(div a b)

let df_da _cp _ap at bp = at / bp

let df_db cp _ap bp bt = neg bt * cp / bp

let df_dab cp _ap at bp bt = (at - (bt * cp)) / bp

let dr_ab a b _cp ca =

( _squeeze_broadcast (!ca / b) (shape a)
, _squeeze_broadcast (!ca * (neg a / (b * b))) (shape b) )

let dr_a a b _cp ca = _squeeze_broadcast (!ca / b) (shape a)

let dr_b a b _cp ca = _squeeze_broadcast (!ca * (neg a / (b *

b))) (shape b)
end : Piso))

and div a = Lazy.force _div a

    and _set_slice =
      lazy
        (fun i ->
          build_piso

341
Appendix D Algodiff Module

(module struct
let label = "set_slice"

let ff_aa a _b = error_uniop label (pack_elt a)

let ff_ab a _b = error_uniop label (pack_elt a)

let ff_ba _a b = error_uniop label (pack_elt b)

              let ff_bb a b =
                let a = A.copy a in
                A.(set_slice i a b);
                Arr a

let df_da _cp _ap at bp = set_slice i at (zero bp)

let df_db _cp ap _bp bt = set_slice i (zero ap) bt

let df_dab _cp _ap at _bp bt = set_slice i at bt

let dr_ab _a b _cp ca = set_slice i !ca (zero b), get_

slice i !ca

let dr_a _a b _cp ca = set_slice i !ca (zero b)

let dr_b _a _b _cp ca = get_slice i !ca

end : Piso))

and set_slice i = Lazy.force _set_slice i

(* single input pair outputs *)

    and _qr =
      let _qr_backward (cp1, cp2) (ca1, ca2) =
        let q = !cp1
        and r = !cp2
        and qbar = !ca1
        and rbar = !ca2 in
        let m = (rbar *@ transpose r) - (transpose q *@ qbar) in
        linsolve r (transpose (qbar + (q *@ copyutl m))) |> transpose
      in
      lazy

342
Appendix D Algodiff Module

        (build_sipo
           (module struct
             let label = "qr"

let ff_f a = error_uniop "qr" (pack_elt a)

             let ff_arr a =
               let q, r = A.(Linalg.qr a) in
               Arr q, Arr r

let df _cp _ap _at =

raise (Owl_exception.NOT_IMPLEMENTED "owl_algodiff_ops.qr")

let dr _a _cp cp_ref ca_ref = _qr_backward cp_ref ca_ref

end : Sipo))

and qr a = Lazy.force _qr a

(* single input triple outputs *)

    and _svd =
      let _svd_backward (o1, o2, o3) (ca1, ca2, ca3) thin =
        let u, s, vt = !o1, !o2, !o3
        and ubar, sbar, vbart = !ca1, !ca2, !ca3 in
        let ut = transpose u
        and v = transpose vt in
        let ubart = transpose ubar
        and vbar = transpose vbart in
        let eye n = A.(ones [| 1; n |]) |> pack_arr |> diagm in
        let e_m = eye (row_num u) in
        let e_n = eye (row_num v) in
        let k = row_num vt in
        let f =
          let s2 = sqr s in
          pack_arr
            A.(
              init_nd [| k; k |] (fun idx ->
                  let i = idx.(0)
                  and j = idx.(1) in

343
Appendix D Algodiff Module

                  if i = j
                  then float_to_elt 0.
                  else (
                    let s2_i = get_item s2 0 i |> unpack_flt in
                    let s2_j = get_item s2 0 j |> unpack_flt in
                    1. /. (s2_j -. s2_i) |> float_to_elt)))
        in
        let inv_s = pack_flt 1. / s in
        if thin
        then
          (u * sbar *@ vt)
          + (((u *@ (f * ((ut *@ ubar) - (ubart *@ u))) * s)
             + ((e_m - (u *@ ut)) *@ ubar * inv_s))
            *@ vt)
          + (u
            *@ ((transpose s * (f * ((vt *@ vbar) - (vbart *@ v))) *@ vt)
               + (transpose inv_s * vbart *@ (e_n - (v *@ vt)))))
        else raise (Owl_exception.NOT_IMPLEMENTED "owl_algodiff_ops.svd")
      in
      lazy
         (fun ˜thin ->
           build_sito
             (module struct
               let label = "svd"

let ff_f a = error_uniop "svd" (pack_elt a)

               let ff_arr a =
                 let u, s, vt = A.(Linalg.svd ˜thin a) in
                 Arr u, Arr s, Arr vt

let df _cp _ap _at =

raise (Owl_exception.NOT_IMPLEMENTED "owl_algodiff_ops.svd")

let dr _a _cp o ca = _svd_backward o ca thin

end : Sito))

and svd ?(thin = true) = Lazy.force _svd ˜thin

344
Appendix D Algodiff Module

(* pair outputs single input *)

  and _lyapunov =
    let _lyapunov_backward_a a ca cp =
      let s = lyapunov (transpose a) (neg ca) in
      (s *@ transpose cp) + (transpose s *@ cp)
    in
    let _lyapunov_backward_q a ca = neg (lyapunov (transpose a)
(neg ca)) in
    let _lyapunov_backward_aq a ca cp =
      let s = lyapunov (transpose a) (neg ca) in
      (s *@ transpose cp) + (transpose s *@ cp), neg s
    in
    lazy
       (build_piso
         (module struct
              let label = "lyapunov"

let ff_aa a _q = error_uniop label (pack_elt a)

let ff_ab a _q = error_uniop label (pack_elt a)

let ff_ba _a q = error_uniop label (pack_elt q)

let ff_bb a q = Arr A.(Linalg.lyapunov a q)

let df_da cp ap at _qp =

lyapunov ap (neg ((at *@ cp) + (cp *@ transpose at)))

let df_db _cp ap _qp qt = lyapunov ap qt

let df_dab cp ap at _qp qt =

lyapunov ap (qt - ((at *@ cp) + (cp *@ transpose at)))

              let dr_ab a _b cp ca =
                let abar, qbar = _lyapunov_backward_aq a !ca cp in
                abar, qbar

let dr_a a _q cp ca = _lyapunov_backward_a a !ca cp

let dr_b a _q _cp ca = _lyapunov_backward_q a !ca

end : Piso))
345
Appendix D Algodiff Module

and lyapunov a = Lazy.force _lyapunov a

  and _care =
    lazy
      (let unpack a = a.(0), a.(1), a.(2), a.(3) in
      let care_forward ˜diag_r p a b r at bt qt rt =
        let tr_b = transpose b in
        let r = if diag_r then diag r else r in
        let inv_r = if diag_r then pack_flt 1. / r else inv r in
        let k = if diag_r then transpose inv_r * tr_b *@ p else inv_r *@
tr_b *@ p in
        let acl = a - (b *@ k) in
        let tr_acl = transpose acl in
        let da () =
          let pat = p *@ at in
          neg (transpose pat) - pat
        in
        let dq () = neg qt in
        let dr () = neg (transpose k *@ rt *@ k) in
        let db () =
          let x = p *@ bt *@ k in
          x + transpose x
        in
        tr_acl, [| da; db; dq; dr |]
      in
      let care_backward ˜diag_r a b _q r p pbar =
        let tr_b = transpose b in
        let inv_r = if diag_r then pack_flt 1. / diag r else inv r in
        let k = if diag_r then transpose inv_r * tr_b *@ p else inv_r *@
tr_b *@ p in
        let tr_k = transpose k in
        let acl = a - (b *@ k) in
        let s =
          (* we can symmetrise without loss of generality as p is
symmetric *)
          let pbar = pack_flt 0.5 * (pbar + transpose pbar) in

346
Appendix D Algodiff Module

let s = lyapunov acl (neg pbar) in

          pack_flt 0.5 * (s + transpose s)
        in
        (* the following calculations are not calculated unless needed *)
        let qbar () = s in
        let rbar () = k *@ s *@ tr_k in
        let abar () = pack_flt 2. * p *@ s in
        let bbar () = neg (pack_flt 2.) * p *@ s *@ tr_k in
        [| abar; bbar; qbar; rbar |]
      in
      fun ˜diag_r ->
        build_aiso
          (module struct
            let label = "care"

            let ff a =
              match unpack a with
              | Arr a, Arr b, Arr q, Arr r -> A.Linalg.care ˜diag_r a b q r
|> pack_arr
              | _                           -> error_uniop "care" a.(0)

let df idxs p inp tangents =

              let a, b, _, r = unpack inp in
              let at, bt, qt, rt = unpack tangents in
              let tr_acl, dp = care_forward ˜diag_r p a b r at bt qt rt in
              let dx =
                List.map
                  (fun k ->
                    (* we can do symmetrise without loss of generality
because the output of care is symmetric *)
                    let dp = dp. (k) () in
                    pack_flt 0.5 * (dp + transpose dp))
                  idxs
                  |> List.fold_left ( + ) (pack_flt 0.)
                in
                lyapunov tr_acl dx

347
Appendix D Algodiff Module

let dr idxs inp p pbar_ref =

              let pbar = !pbar_ref in
              let bars =
                let a, b, q, r = unpack inp in
                care_backward ˜diag_r a b q r p pbar
              in
              List.map (fun k -> bars. (k) ()) idxs
            end : Aiso))

and care ?(diag_r = false) a b q r = Lazy.force _care ˜diag_r [| a;

b; q; r |]
end

(* neural network module: for specialised neural network operations *)

module NN = struct
open Maths

(* NOTE: these functions are for neural network. There are many
restrictions at the moment. E.g. they do not support higher-order
derivatives, and some do not support forward mode, so use them when you
know what you are doing. *)

(* a:input; b:kernel; s:stride *)

  let _conv2d =
    (* a:input; b:kernel; s:stride; o:output' *)
    let conv2d_backward_input a b s o =
      let a = unpack_arr a in
      let b = unpack_arr b in
      let o = unpack_arr o in
      A.conv2d_backward_input a b s o |> pack_arr
    in
    (* a:input; b:kernel; s:stride; o:output' *)
    let conv2d_backward_kernel a b s o =
      let a = unpack_arr a in
      let b = unpack_arr b in
      let o = unpack_arr o in
      A.conv2d_backward_kernel a b s o |> pack_arr

348
Appendix D Algodiff Module

    in
    lazy
      (fun ˜padding a b s ->
        build_piso
         (module struct
            let label = "conv2d"

let ff_aa a _b = error_uniop label (pack_elt a)

let ff_ab a _b = error_uniop label (pack_elt a)

let ff_ba _a b = error_uniop label (pack_elt b)

let ff_bb a b = Arr A.(conv2d ?padding a b s)

let df_da _cp _ap at _bp = at

let df_db _cp _ap _bp bt = bt

let df_dab _cp _ap at _bp bt = at + bt

let dr_ab a b _cp ca =

conv2d_backward_input a b s !ca, conv2d_backward_kernel
a b s !ca

let dr_a a b _cp ca = conv2d_backward_input a b s !ca

let dr_b a b _cp ca = conv2d_backward_kernel a b s !ca

          end : Piso)
          a
          b)

let conv2d ?padding = Lazy.force _conv2d ˜padding

(* v: padded value; p:padding index; a:input *)

  let _pad =
    (* TODO: sources required to confirm this backward op *)
    (* o:outut'; p: padding index *)
    let pad_backward o p =
      (* assume p is full legal index for pad operation *)
      let o = unpack_arr o in

349
Appendix D Algodiff Module

      let os = A.shape o in
      let q = Owl_utils.llss2aarr p in
      Array.iteri (fun i x -> x.(1) <- Stdlib.(os. (i) - 1 - x.(1))) q;
      let q = Owl_utils.aarr2llss q in
      A.(get_slice q o) |> pack_arr
    in
    lazy
      (fun ˜v p a ->
        build_siso
          (module struct
            let label = "pad"

let ff_f a = error_uniop label (pack_elt a)

let ff_arr a = Arr A.(pad ?v p a)

let df _cp _ap _at = failwith "pad:df"

let dr _a _cp ca = pad_backward !ca p

end : Siso)
a)

let pad ?v = Lazy.force _pad ˜v

end

module Mat = struct

let empty m n = A.empty [| m; n |] |> pack_arr

let zeros m n = A.zeros [| m; n |] |> pack_arr

let eye n = A.Mat.eye n |> pack_arr

let ones m n = A.ones [| m; n |] |> pack_arr

let uniform ?a ?b m n = A.uniform ?a ?b [| m; n |] |> pack_arr

let gaussian ?mu ?sigma m n = A.gaussian ?mu ?sigma [| m; n |] |>

pack_arr

let reset x = x |> unpack_arr |> A.reset

350
Appendix D Algodiff Module

let reshape m n x = Maths.reshape x [| m; n |]

  let shape x =
    let s = A.shape (unpack_arr x) in
    s.(0), s.(1)

let row_num x = (unpack_arr x |> A.shape).(0)

let col_num x = (unpack_arr x |> A.shape).(1)

let numel x = numel x

let row x i = Maths.get_row x i

let get x i j = Maths.get_item x i j

let set x i j a = Maths.set_item x i j a

(* unary math operators *)

let mean x = Maths.mean x

(* binary math operators *)

let add x y = Maths.add x y

let sub x y = Maths.sub x y

let mul x y = Maths.mul x y

let div x y = Maths.div x y

let dot x y = Maths.dot x y

let map_by_row f x = x |> Maths.to_rows |> Array.map f |> Maths.of_rows

let print x = A.print (unpack_arr x)

let of_arrays x = A.of_arrays x |> pack_arr

let init_2d n_rows n_cols f =

Array.init n_rows (fun i -> Array.init n_cols (fun j -> f i j)) |>
Maths.of_arrays
end

351
Appendix D Algodiff Module

module Arr = struct

let empty d = A.empty d |> pack_arr

let zeros d = A.zeros d |> pack_arr

let ones d = A.ones d |> pack_arr

let uniform ?a ?b d = A.uniform ?a ?b d |> pack_arr

let gaussian ?mu ?sigma d = A.gaussian ?mu ?sigma d |> pack_arr

let reset x = x |> unpack_arr |> A.reset

let reshape x s = Maths.reshape x s

let shape x = A.shape (unpack_arr x)

let numel x = numel x

(* binary math operators *)

let add x y = Maths.add x y

let sub x y = Maths.sub x y

let mul x y = Maths.mul x y

let div x y = Maths.div x y

let dot x y = Maths.dot x y

end
end

D.2 Core Modules

(** Owl_algodiff_core.ml *)

module Make (A : Owl_types_ndarray_algodiff.Sig) = struct

include Owl_algodiff_types.Make (A)
module A = A

(* generate global tags *)

let _global_tag = ref 0

352
Appendix D Algodiff Module

  let tag () =
    _global_tag := !_global_tag + 1;
    !_global_tag

(* helper functions of the core AD component *)

let reset_zero = function

    | F _ -> F A.(float_to_elt 0.)
    | Arr ap ->
      A.reset ap;
      Arr ap
    | _ -> failwith "error: reset_zero"

let primal = function

    | DF (ap, _, _)          -> ap
    | DR (ap, _, _, _, _, _) -> ap
    | ap -> ap

let rec primal' = function

    | DF (ap, _, _)          -> primal' ap
    | DR (ap, _, _, _, _, _) -> primal' ap
    | ap -> ap

let rec zero = function

let tangent = function

    | DF (_, at, _)  -> at
    | DR _           -> failwith "error: no tangent for DR"
    | ap             -> zero ap

let adjref = function

    | DF _                   -> failwith "error: no adjref for DF"
    | DR (_, at, _, _, _, _) -> at
    | ap                      -> ref (zero ap)

353
Appendix D Algodiff Module

let adjval = function

    | DF _                   -> failwith "error: no adjval for DF"
    | DR (_, at, _, _, _, _) -> !at
    | ap                     -> zero ap

  let shape x =
    match primal' x with
    | F _     -> [||]
    | Arr ap -> A.shape ap
    | _      -> failwith "error: AD.shape"

let rec is_float x =

    match x with
    | Arr _ -> false
    | F _  -> true
    | DF _ -> is_float (primal' x)
    | DR _ -> is_float (primal' x)

let rec is_arr x =

    match x with
    | Arr _ -> false
    | F _   -> true
    | DF _  -> is_arr (primal' x)
    | DR _  -> is_arr (primal' x)

let row_num x = (shape x).(0)

let col_num x = (shape x).(1)

  let numel x =
    match primal' x with
    | Arr x -> A.numel x
    | _     -> failwith "error: AD.numel"

let clip_by_value ˜amin ˜amax x =

    match primal' x with
    | Arr x -> Arr A.(clip_by_value ˜amin ˜amax x)
    | _     -> failwith "error: AD.clip_by_value"

354
Appendix D Algodiff Module

  let clip_by_l2norm a x =
    match primal' x with
    | Arr x -> Arr A.(clip_by_l2norm a x)
    | _     -> failwith "error: AD.clip_by_l2norm"

  let copy_primal' x =
    match primal' x with
    | Arr ap -> Arr A.(copy ap)
    | _      -> failwith "error: AD.copy"

let tile x reps =

    match primal' x with
    | Arr x -> Arr A.(tile x reps)
    | _     -> failwith "error: AD.tile"

let repeat x reps =

    match primal' x with
    | Arr x -> Arr A.(repeat x reps)
    | _     -> failwith "error: AD.repeat"

(* packing and unpacking functions *)

let pack_elt x = F x

  let unpack_elt x =
    match primal x with
    | F x -> x
    | _   -> failwith "error: AD.unpack_elt"

let pack_flt x = F A.(float_to_elt x)

let _f x = F A.(float_to_elt x)

(* shorcut for type conversion *)

  let unpack_flt x =
    match primal x with
    | F x -> A.elt_to_float x
    | _   -> failwith "error: AD.unpack_flt"

355
Appendix D Algodiff Module

let pack_arr x = Arr x

  let unpack_arr x =
    match primal x with
    | Arr x -> x
    | _     -> failwith "error: AD.unpack_arr"

(* functions to report errors, help in debugging *)

  let deep_info x =
    match primal' x with
    | F a   -> Printf.sprintf "F(%g)" A.(elt_to_float a)
    | Arr a ->
      Printf.sprintf "Arr(%s)" (A.shape a |> Owl_utils_array.to_string
string_of_int)
    | _     -> "you should not have reached here!"

  let type_info x =
    match x with
    | F _a                          -> Printf.sprintf "[%s]" (deep_info x)
    | DF (ap, _at, ai)              -> Printf.sprintf "[DF tag:%i ap:%s]"
ai (deep_info ap)
    | DR (ap, _at, _ao, _af, ai, _) ->
      Printf.sprintf "[DR tag:%i ap:%s]" ai (deep_info ap)
    | _                             -> Printf.sprintf "[%s]" (deep_info x)

  let error_binop op a b =
    let s0 = "#0:" ˆ type_info a in
    let s1 = "#1:" ˆ type_info b in
    failwith (op ˆ " : " ˆ s0 ˆ ", " ˆ s1)

  let error_uniop op a =
    let s = type_info a in
    failwith (op ˆ " : " ˆ s)
end

356
Appendix D Algodiff Module

(** Owl_algodiff_generic.ml *)

module Make (A : Owl_types_ndarray_algodiff.Sig) = struct

  (* include functions in the Core module *)
  module Core = Owl_algodiff_core.Make (A)
  include Core

(* include graph conversion functions *)

include Owl_algodiff_graph_convert.Make (Core)

(* instantiate operations *)

module Ops = Owl_algodiff_ops.Make (Core)
include Ops

(* include core reverse mode functions *)

module Reverse = Owl_algodiff_reverse.Make (struct
include Core

let reverse_add = Maths.add

end)

(* convenient wrappers *)

let make_forward p t i = DF (p, t, i)

  let make_reverse p i =
    let adjoint _cp _ca t = t in
    let register t = t in
    let label = "Noop", [] in
    DR (p, ref (zero p), (adjoint, register, label), ref 0, i, ref 0)

(* expose reverse prop: propagate gradients *)

let reverse_prop = Reverse.reverse_prop

(* derivative of f (scalar -> scalar) at x, forward ad *)

  let diff' f x =
    if not (is_float x) then failwith "input of `diff` must be a scalar";
    let x = make_forward x (pack_flt 1.) (tag ()) in
    let y = f x in
    primal y, tangent y

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Appendix D Algodiff Module

(* derivative of f (scalar -> scalar) at x, forward ad *)

let diff f x = diff' f x |> snd

(* gradient of f (vector -> scalar) at x, reverse ad *)

  let grad' f x =
    let x = make_reverse x (tag ()) in
    let y = f x in
    if not (is_float y) then failwith "output of `grad` must be a scalar";
    Reverse.reverse_reset y;
    Reverse.reverse_push (pack_flt 1.) y;
    primal y, x |> adjval

(* gradient of f (vector -> scalar) at x, reverse ad *)

let grad f x = grad' f x |> snd

D.3 Graph Converter

(** owl_algodiff_graph_converter.ml *)

odule Make (Core : Owl_algodiff_core_sig.Sig) = struct

open Core

  (* _traverse_trace and its related functions are used to convert the
   computation graph generated in backward mode into human-readable format.
   You can make your own convert function to generate needed format. *)
  let _traverse_trace x =
    (* init variables for tracking nodes and indices *)
    let nodes = Hashtbl.create 512 in
    let index = ref 0 in
    (* local function to traverse the nodes *)
    let rec push tlist =
      match tlist with
      | [] -> ()
      | hd :: tl ->
        if Hashtbl.mem nodes hd = false
        then (

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Appendix D Algodiff Module

let op, prev =

            match hd with
            | DR (_ap, _aa, (_, _, label), _af, _ai, _) -> label
            | F _a -> Printf.sprintf "Const", []
            | Arr _a -> Printf.sprintf "Const", []
            | DF (_, _, _) -> Printf.sprintf "DF", []
          in
          (* check if the node has been visited before *)
          Hashtbl.add nodes hd (!index, op, prev);
          index := !index + 1;
          push (prev @ tl))
        else push tl
  in
  (* iterate the graph then return the hash table *)
  push x;
  nodes

(* convert graph to terminal output *)

  let _convert_terminal_output nodes =
  Hashtbl.fold
    (fun v (v_id, v_op, v_prev) s0 ->
      let v_ts = type_info v in
      s0
      ˆ List.fold_left
           (fun s1 u ->
              let u_id, u_op, _ = Hashtbl.find nodes u in
              let u_ts = type_info u in
              s1
              ˆ Printf.sprintf
                  "{ i:%i o:%s t:%s } -> { i:%i o:%s t:%s }\n"
                  u_id
                  u_op
                  u_ts
                  v_id
                  v_op
                  v_ts)

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Appendix D Algodiff Module

            ""
            v_prev)
        nodes
        ""

(* convert graph to dot file output *)

  let _convert_dot_output nodes =
    let network =
      Hashtbl.fold
        (fun _v (v_id, _v_op, v_prev) s0 ->
          s0
          ˆ List.fold_left
             (fun s1 u ->
                let u_id, _u_op, _ = Hashtbl.find nodes u in
                s1 ˆ Printf.sprintf "\t%i -> %i;\n" u_id v_id)
             ""
             v_prev)
        nodes
        ""
    in
    let attrs =
      Hashtbl.fold
        (fun v (v_id, v_op, _v_prev) s0 ->
          if v_op = "Const"
          then
            s0
            ˆ Printf.sprintf
              "%i [ label=\"#%i | { %s | %s }\" fillcolor=gray,
style=filled ];\n"
              v_id
              v_id
              v_op
              (deep_info v)
        else
          s0
          ˆ Printf.sprintf

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Appendix D Algodiff Module

"%i [ label=\"#%i | { %s | %s }\" ];\n"

              v_id
              v_id
              v_op
              (deep_info v))
      nodes
      ""
    in
    network ˆ attrs

let to_trace nodes = _traverse_trace nodes |> _convert_terminal_output

let to_dot nodes =

    _traverse_trace nodes
    |> _convert_dot_output
    |> Printf.sprintf "digraph CG {\nnode [shape=record];\n%s}"

let pp_num formatter x = Format.fprintf formatter "%s" (type_info x)

end

361
APPENDIX E

Neural Network Module

E.1 Graph Module
(*
* OWL - OCaml Scientific Computing
* Copyright (c) 2016-2022 Liang Wang <[email protected]>
*)

(** Neural network: Graphical neural network *)

open Owl_types

(* Make functor starts *)

module Make (Neuron : Owl_neural_neuron_sig.Sig) = struct

  module Neuron = Neuron
  open Neuron
  open Neuron.Optimise.Algodiff

363
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5
Appendix E Neural Network Module

; (* output of a node *)

      mutable network : network
    ; (* network a node belongs to *)
      mutable train : bool (* specify if a node is only for training *)
    }

  and network =
    { mutable nnid : string
    ; (* name of the graph network *)
      mutable size : int
    ; (* size of the graph network *)
      mutable roots : node array
     ; (* roots of the graph network, i.e. inputs *)
      mutable outputs : node array
    ; (* outputs of the graph network *)
       mutable topo : node array (* nodes sorted in topological order *)
    }

(* functions to manipulate the network *)

let make_network ?nnid size roots topo =

    let nnid =
      match nnid with
      | Some s -> s
      | None -> "Graphical network"
    in
    { nnid; size; roots; topo; outputs = [||] }

  let make_node ?name ?(train = false) prev next neuron output network =
    let name =
      match name with
      | Some s -> s
      | None -> Printf.sprintf "%s_%i" (to_name neuron) network.size
    in
    { name; prev; next; neuron; output; network; train }

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Appendix E Neural Network Module

  let get_roots nn =
    match nn.roots with
    | [||] -> failwith "Owl_neural_graph:get_roots"
    | x -> x

let get_outputs nn = nn.outputs

let get_node nn name =

let x = Owl_utils.Array.filter (fun n -> n.name = name) nn.topo in
if Array.length x = 0 then failwith "Owl_neural_graph:get_node"
else x.(0)

let get_network ?name n =

let outputs ?name nodes =

    assert (Array.length nodes > 0);
    let name =
      match name with
      | Some s -> s
      | None -> Random.int 65535 |> string_of_int
    in
    (* assumes that all the outputs are part of the same network *)
    let nn = nodes.(0).network in
    nn.nnid <- name;
    nn.outputs <- nodes;
    nn

let get_network_name n = n.nnid

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Appendix E Neural Network Module

let set_network_name n name = n.nnid <- name

let input_shape n = (get_roots n).(0).neuron |> Neuron.get_in_shape

let input_shapes n = Array.map (fun r -> r.neuron |> Neuron.get_in_shape)

(get_roots n)

(* collect the outputs of a given set of nodes *)

  let collect_output nodes =
    Array.map
      (fun n ->
        match n.output with
        | Some o -> o
        | None -> failwith "Owl_neural_graph:collect_output")
      Nodes

let connect_pair prev next =

    if Array.mem prev next.prev = false
    then next.prev <- Array.append next.prev [| prev |];
    if Array.mem next prev.next = false
    then prev.next <- Array.append prev.next [| next |]

let connect_to_parents parents child =

    (* update the child's input and output shape *)
    if Array.length parents > 0
    then (
      let out_shapes = Array.map (fun n -> n.neuron |> get_out_shape)
parents in
      connect out_shapes child.neuron);
    (* connect the child to the parents *)
    Array.iter (fun p -> connect_pair p child) parents

(* add child node to nn and connect to parents *)

  let rec add_node ?act_typ nn parents child =
    nn.size <- nn.size + 1;
    connect_to_parents parents child;
    nn.topo <- Array.append nn.topo [| child |];
    child.network <- nn;

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Appendix E Neural Network Module

(* if activation is specified, recursively add_node *)

    match act_typ with
    | Some act ->
      let neuron = Activation (Activation.create act) in
      let child_of_child = make_node [||] [||] neuron None nn in
      add_node nn [| child |] child_of_child
    | None -> child

(* functions to interface to optimisation engine *)

let init nn = Array.iter (fun n -> init n.neuron) nn.topo

let reset nn = Array.iter (fun n -> reset n.neuron) nn.topo

let mktag t nn = Array.iter (fun n -> mktag t n.neuron) nn.topo

let mkpar nn = Array.map (fun n -> mkpar n.neuron) nn.topo

let mkpri nn = Array.map (fun n -> mkpri n.neuron) nn.topo

let mkadj nn = Array.map (fun n -> mkadj n.neuron) nn.topo

let update nn us = Array.iter2 (fun n u -> update n.neuron u) nn.topo us

let run_inputs inputs nn =

    assert (Array.(length inputs = length (get_roots nn)));
    Array.iter
     (fun n ->
        (* collect the inputs from parents' output *)
        let input =
          match n.neuron with
          | Input _ ->
            let index =
              Owl_utils.Array.index_of (Array.map (fun r -> r.name) (get_
roots nn)) n.name
            in
            [| inputs.(index) |]
          | _ -> collect_output n.prev
        in

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Appendix E Neural Network Module

(* process the current neuron, save output *)

        let output = run input n.neuron in
        n.output <- Some output)
      nn.topo;
    (* collect the final outputs *)
    collect_output nn.outputs

  let run x nn =
    Array.iter
      (fun n ->
         (* collect the inputs from parents' output *)
         let input =
          match n.neuron with
          | Input _ -> [| x |]
          | _ -> collect_output n.prev
         in
        (* process the current neuron, save output *)
        let output = run input n.neuron in
      n.output <- Some output)
    nn.topo;
    (* collect the final output from the tail *)
    let sink = [| nn.topo.(Array.length nn.topo - 1) |] in
    (collect_output sink).(0)

  let forward nn x =
    mktag (tag ()) nn;
    run x nn, mkpar nn

  let forward_inputs nn x =
    mktag (tag ()) nn;
    run_inputs x nn, mkpar nn

  let backward nn y =
    reverse_prop (_f 1.) y;
    mkpri nn, mkadj nn

let copy nn =
let nn' = make_network ˜nnid:nn.nnid nn.size [||] [||] in

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Appendix E Neural Network Module

(* first iteration to copy the neurons *)

    nn'.topo
      <- Array.map
            (fun node ->
              let neuron' = copy node.neuron in
              make_node ˜name:node.name ˜train:node.train [||] [||] neuron'
None nn')
          nn.topo;
    (* second iteration to re-construct the structure and infer the
shape *)
    Array.iter2
      (fun node node' ->
         node'.prev <- Array.map (fun n -> get_node nn' n.name) node.prev;
         node'.next <- Array.map (fun n -> get_node nn' n.name) node.next;
        connect_to_parents node'.prev node')
      nn.topo
      nn'.topo;
    (* set roots and outputs to finalise the structure *)
    nn'.roots <- Array.map (fun n -> get_node nn' n.name) (get_roots nn);
    nn'.outputs <- Array.map (fun n -> get_node nn' n.name) (get_
outputs nn);
    nn'

  let _remove_training_nodes nn =
    let topo' =
      Owl_utils.Array.filter
         (fun n ->
            if n.train = true
            then (
              (* remove myself from my parents *)
              Array.iter
                (fun m ->
                  let next' = Owl_utils.Array.filter (fun x -> x.name <>
n.name) m.next in
                  m.next <- next')
             n.prev;

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Appendix E Neural Network Module

(* remove myself from my children *)

            Array.iter
              (fun m ->
                 let prev' = Owl_utils.Array.filter (fun x -> x.name <>
n.name) m.prev in
                 m.prev <- prev')
              n.next;
             (* connect my parents and my children *)
             Array.iter (connect_to_parents n.prev) n.next);
         not n.train)
      nn.topo
    in
    nn.topo <- topo'

  let model nn =
    if Array.length nn.roots > 1
    then failwith "Owl_neural_graph:model Did you mean to use model_
inputs?";
    let nn = copy nn in
    _remove_training_nodes nn;
    let inference x =
      match run (Arr x) nn with
      | Arr y -> y
      | _ -> failwith "Owl_neural_graph:model"
    in
    inference

  let model_inputs nn =
    let nn = copy nn in
    _remove_training_nodes nn;
    let inference inputs =
      let outputs = run_inputs (Array.map (fun x -> Arr x) inputs) nn in
      Array.map unpack_arr outputs
    in
    inference

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Appendix E Neural Network Module

(* functions to create functional nodes *)

let input ?name inputs =

    let neuron = Input (Input.create inputs) in
    let nn = make_network 0 [||] [||] in
    let n = make_node ?name [||] [||] neuron None nn in
    nn.roots <- [| n |];
    add_node nn [||] n

let inputs ?names input_shapes =

    let names =
      match names with
      | Some x ->
        assert (Array.(length x = length input_shapes));
        Array.map (fun name -> Some name) x
      | None -> Array.(make (length input_shapes) None)
    in
    let neurons = Array.map (fun s -> Input (Input.create s)) input_
shapes in
    let nn = make_network 0 [||] [||] in
    let ns =
      Array.map2
        (fun n name -> make_node ?name [||] [||] n None nn |> add_node
nn [||])
        neurons
        names
    in
    nn.roots <- ns;
    ns

let activation ?name act_typ input_node =

    let neuron = Activation (Activation.create act_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

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Appendix E Neural Network Module

let linear ?name ?(init_typ = Init.Standard) ?act_typ outputs

input_node =
    let neuron = Linear (Linear.create outputs init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let linear_nobias ?name ?(init_typ = Init.Standard) ?act_typ outputs

input_node =
    let neuron = LinearNoBias (LinearNoBias.create outputs init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let embedding ?name ?(init_typ = Init.Standard) ?act_typ in_dim out_dim

input_node =
    let neuron = Embedding (Embedding.create in_dim out_dim init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let recurrent ?name ?(init_typ = Init.Standard) ˜act_typ outputs hiddens

input_node =
    let neuron = Recurrent (Recurrent.create hiddens outputs act_typ
init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let lstm ?name ?(init_typ = Init.Tanh) cells input_node =

    let neuron = LSTM (LSTM.create cells init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let gru ?name ?(init_typ = Init.Tanh) cells input_node =

let neuron = GRU (GRU.create cells init_typ) in

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Appendix E Neural Network Module

let nn = get_network input_node in

let n = make_node ?name [||] [||] neuron None nn in
add_node nn [| input_node |] n

  let conv1d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride
      input_node
    =
    let neuron = Conv1D (Conv1D.create padding kernel stride init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let conv2d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride
      input_node
    =
    let neuron = Conv2D (Conv2D.create padding kernel stride init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let conv3d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)

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Appendix E Neural Network Module

      ?act_typ
      kernel
      stride
      input_node
    =
    let neuron = Conv3D (Conv3D.create padding kernel stride init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let dilated_conv1d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
       kernel
      stride
      rate
      input_node
    =
    let neuron =
      DilatedConv1D (DilatedConv1D.create padding kernel stride rate
init_typ)
    in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let dilated_conv2d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride
      rate

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Appendix E Neural Network Module

      input_node
    =
    let neuron =
      DilatedConv2D (DilatedConv2D.create padding kernel stride rate
init_typ)
    in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let dilated_conv3d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride
      rate
      input_node
    =
    let neuron =
       DilatedConv3D (DilatedConv3D.create padding kernel stride rate
init_typ)
    in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let transpose_conv1d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride

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Appendix E Neural Network Module

      input_node
    =
    let neuron =
       TransposeConv1D (TransposeConv1D.create padding kernel stride
init_typ)
    in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let transpose_conv2d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride
      input_node
    =
    let neuron =
       TransposeConv2D (TransposeConv2D.create padding kernel stride
init_typ)
    in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

  let transpose_conv3d
      ?name
      ?(padding = SAME)
      ?(init_typ = Init.Tanh)
      ?act_typ
      kernel
      stride
      input_node
    =

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Appendix E Neural Network Module

    let neuron =
      TransposeConv3D (TransposeConv3D.create padding kernel stride
init_typ)
    in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let fully_connected ?name ?(init_typ = Init.Standard) ?act_typ outputs

input_node =
    let neuron = FullyConnected (FullyConnected.create outputs init_typ) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let max_pool1d ?name ?(padding = SAME) ?act_typ kernel stride

input_node =
    let neuron = MaxPool1D (MaxPool1D.create padding kernel stride) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let max_pool2d ?name ?(padding = SAME) ?act_typ kernel stride

input_node =
    let neuron = MaxPool2D (MaxPool2D.create padding kernel stride) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let avg_pool1d ?name ?(padding = SAME) ?act_typ kernel stride

input_node =
    let neuron = AvgPool1D (AvgPool1D.create padding kernel stride) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

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Appendix E Neural Network Module

let avg_pool2d ?name ?(padding = SAME) ?act_typ kernel stride

input_node =
    let neuron = AvgPool2D (AvgPool2D.create padding kernel stride) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let global_max_pool1d ?name ?act_typ input_node =

    let neuron = GlobalMaxPool1D (GlobalMaxPool1D.create ()) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let global_max_pool2d ?name ?act_typ input_node =

    let neuron = GlobalMaxPool2D (GlobalMaxPool2D.create ()) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let global_avg_pool1d ?name ?act_typ input_node =

    let neuron = GlobalAvgPool1D (GlobalAvgPool1D.create ()) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let global_avg_pool2d ?name ?act_typ input_node =

    let neuron = GlobalAvgPool2D (GlobalAvgPool2D.create ()) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let upsampling2d ?name ?act_typ size input_node =

    let neuron = UpSampling2D (UpSampling2D.create size) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

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Appendix E Neural Network Module

let padding2d ?name ?act_typ padding input_node =

    let neuron = Padding2D (Padding2D.create padding) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let dropout ?name rate input_node =

    let neuron = Dropout (Dropout.create rate) in
    let nn = get_network input_node in
    let n = make_node ?name ˜train:true [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let gaussian_noise ?name sigma input_node =

    let neuron = GaussianNoise (GaussianNoise.create sigma) in
    let nn = get_network input_node in
    let n = make_node ?name ˜train:true [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let gaussian_dropout ?name rate input_node =

    let neuron = GaussianDropout (GaussianDropout.create rate) in
    let nn = get_network input_node in
    let n = make_node ?name ˜train:true [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let alpha_dropout ?name rate input_node =

    let neuron = AlphaDropout (AlphaDropout.create rate) in
    let nn = get_network input_node in
    let n = make_node ?name ˜train:true [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let normalisation ?name ?(axis = -1) ?training ?decay ?mu ?var

input_node =
    let neuron = Normalisation (Normalisation.create ?training ?decay ?mu
?var axis) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

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let reshape ?name outputs input_node =

    let neuron = Reshape (Reshape.create outputs) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let flatten ?name input_node =

    let neuron = Flatten (Flatten.create ()) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let slice ?name slice input_node =

    let neuron = Slice (Slice.create slice) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node nn [| input_node |] n

let lambda ?name ?act_typ ?out_shape lambda input_node =

    let neuron = Lambda (Lambda.create ?out_shape lambda) in
    let nn = get_network input_node in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn [| input_node |] n

let lambda_array ?name ?act_typ out_shape lambda input_node =

    let neuron = LambdaArray (LambdaArray.create out_shape lambda) in
    let nn = get_network input_node.(0) in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn input_node n

let add ?name ?act_typ input_node =

    let neuron = Add (Add.create ()) in
    let nn = get_network input_node.(0) in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn input_node n

let mul ?name ?act_typ input_node =

let neuron = Mul (Mul.create ()) in
let nn = get_network input_node.(0) in
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let n = make_node ?name [||] [||] neuron None nn in

add_node ?act_typ nn input_node n

let dot ?name ?act_typ input_node =

    let neuron = Dot (Dot.create ()) in
    let nn = get_network input_node.(0) in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn input_node n

let max ?name ?act_typ input_node =

    let neuron = Max (Max.create ()) in
    let nn = get_network input_node.(0) in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn input_node n

let average ?name ?act_typ input_node =

    let neuron = Average (Average.create ()) in
    let nn = get_network input_node.(0) in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn input_node n

let concatenate ?name ?act_typ axis input_node =

    let neuron = Concatenate (Concatenate.create axis) in
    let nn = get_network input_node.(0) in
    let n = make_node ?name [||] [||] neuron None nn in
    add_node ?act_typ nn input_node n

(* I/O functions *)

  let to_string nn =
    let s = ref (nn.nnid ˆ "\n\n") in
    Array.iter
      (fun n ->
        let prev =
          Array.map (fun n -> n.name) n.prev |> Owl_utils_array.to_string
(fun s -> s)
        in
        let next =

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Array.map (fun n -> n.name) n.next |> Owl_utils_array.to_string

(fun s -> s)
        in
        s
          := !s
             ˆ Printf.sprintf "\x1b[31m[ Node %s ]:\x1b[0m\n" n.name
             ˆ Printf.sprintf "%s" (to_string n.neuron)
             ˆ Printf.sprintf " prev:[%s] next:[%s]\n\n" prev next)
      nn.topo;
    !s

let pp_network formatter nn =

    Format.open_box 0;
    Format.fprintf formatter "%s" (to_string nn);
    Format.close_box ()

let print nn = pp_network Format.std_formatter nn

let save ?(unsafe = false) nn f =

    if unsafe = true
    then (
      Owl_log.warn
      "Unsafely saved network can only be loaded back in exactly the same
version of \
      OCaml and Owl.";
      Owl_io.marshal_to_file ˜flags:[ Marshal.Closures ] (copy nn) f)
    else Owl_io.marshal_to_file (copy nn) f

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  let load_weights nn f =
    let h = Owl_io.marshal_from_file f in
    Array.iter
      (fun n ->
        let ws = Hashtbl.find h n.name in
        Neuron.load_weights n.neuron ws)
      nn.topo

let make_subnetwork ?(copy = true) ?(make_inputs = [||]) nn

output_names =
    let subnn = make_network 0 [||] [||] in
    let in_nodes = ref [] in
    (* collect neurons belonging to subnetwork *)
    let rec collect_subnn_nodes n acc =
      if List.exists (fun in_acc -> in_acc.name = n.name) acc
      then acc
      else if Array.mem n.name make_inputs
      then (
        let shape = get_out_shape n.neuron in
        let in_neur = Input (Input.create shape) in
        let new_in = make_node ˜name:n.name [||] [||] in_neur None subnn in
        in_nodes := new_in :: !in_nodes;
        new_in :: acc)
      else (
        let neur = if copy then Neuron.copy n.neuron else n.neuron in
        let new_node = make_node ˜name:n.name ˜train:n.train [||] [||] neur
None subnn in
        match neur with
        | Input _ ->
          in_nodes := new_node :: !in_nodes;
          new_node :: acc
        | _ ->
          let acc = new_node :: acc in
          Array.fold_left (fun a prev -> collect_subnn_nodes prev a)
acc n.prev)
    in

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    let new_nodes =
      Array.fold_left
        (fun acc name -> collect_subnn_nodes (get_node nn name) acc)
        []
       output_names
    in
    (* sorts the new topology *)
    let new_topo =
      Array.fold_left
        (fun acc n ->
          match List.find_opt (fun n' -> n'.name = n.name) new_nodes with
          | Some n' -> n' :: acc
          | None -> acc)
        []
        nn.topo
      |> List.rev
      |> Array.of_list
    in
    subnn.topo <- new_topo;
    (* re-construct network structure *)
    Array.iter
      (fun node' ->
        let node = get_node nn node'.name in
        if not (List.memq node' !in_nodes)
        then node'.prev <- Array.map (fun n -> get_node subnn n.name)
node.prev;
        if not (Array.mem node.name output_names)
        then (
         (* only process nodes that are part of the subnetwork *)
          let next =
            Owl_utils_array.filter
              (fun n -> Array.exists (fun n' -> n'.name = n.name)
subnn.topo)
              node.next
          in

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          (* With custom input nodes, next could contain an input node. *)
          node'.next <- Array.map (fun n -> get_node subnn n.name) next);
        connect_to_parents node'.prev node')
      subnn.topo;
      (* TODO: Warn if not all names in in_names were used? *)
      subnn.roots <- Array.of_list !in_nodes;
      subnn.outputs <- Array.map (fun name -> get_node subnn name)
output_names;
   subnn

(* training functions *)

(* generic minimisation functions

     forward: function to run the forward pass
     backward: function to run the backward pass
     update: function to update the weights according to the gradient
     save: function to save the model for checkpoint
  *)
  let train_generic ?state ?params ?(init_model = true) nn x y =
    if init_model = true then init nn;
    let f = forward nn in
    let b = backward nn in
    let u = update nn in
    let s = save nn in
    let p =
      match params with
      | Some p -> p
      | None -> Optimise.Params.default ()
    in
    Optimise.minimise_network ?state p f b u s x y

let train ?state ?params ?init_model nn x y =

train_generic ?state ?params ?init_model nn (Arr x) (Arr y)
end

(* Make functor ends *)

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E.2 Neuron Modules

Activation Module

module Activation = struct

(* None activation *)

  type neuron_typ =
    { mutable activation : typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create activation = { activation; in_shape = [||]; out_shape = [||] }

let connect out_shape l =

l.in_shape <- Array.copy out_shape;
l.out_shape <- Array.copy out_shape

let run_activation x activation =

| Sigmoid -> Maths.sigmoid x

let copy l = create l.activation

let run x l = run_activation x l.activation

let activation_to_string = function

    | Elu         -> Printf.sprintf "%s" "elu"
    | Relu        -> Printf.sprintf "%s" "relu"
    | Sigmoid     -> Printf.sprintf "%s" "sigmoid"
    | HardSigmoid -> Printf.sprintf "%s" "hard_sigmoid"
    | Softmax a   -> Printf.sprintf "%s %i" "softmax" a
    | Softplus    -> Printf.sprintf "%s" "softplus"
    | Softsign    -> Printf.sprintf "%s" "softsign"
    | Tanh        -> Printf.sprintf "%s" "tanh"
    | Relu6       -> Printf.sprintf "%s" "relu6"
    | LeakyRelu a -> Printf.sprintf "%s %g" "leaky_relu" a
    | TRelu a     -> Printf.sprintf "%s %g" "threshold_relu" a
    | Custom _    -> Printf.sprintf "%s" "customise"
    | None        -> Printf.sprintf "%s" "none"

  let to_string l =
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let act_str = activation_to_string l.activation in
    Printf.sprintf " Activation : %s in/out:[*,%s]\n" act_str in_str ˆ ""

let to_name () = "activation"

end
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Appendix E Neural Network Module

Linear Module

module Recurrent = struct

  type neuron_typ =
    { mutable whh : t
    ; mutable wxh : t
    ; mutable why : t
    ; mutable bh : t
    ; mutable by : t
    ; mutable h : t
    ; mutable hiddens : int
    ; mutable act : Activation.typ
    ; mutable init_typ : Init.typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create ?time_steps ?inputs hiddens o act init_typ =

    let i =
      match inputs with
       | Some i -> i
       | None -> 0
    in
    let t =
      match time_steps with
       | Some i -> i
       | None -> 0
    in
    let h = hiddens in
    { whh = Mat.empty h h
    ; wxh = Mat.empty 0 h
    ; why = Mat.empty h o
    ; bh = Mat.empty 1 h
    ; by = Mat.empty 1 o
    ; h = Mat.empty 0 h
    ; hiddens

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    ; act
    ; init_typ
    ; in_shape = [| t; i |]
    ; out_shape = [| o |]
    }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1)

  let init l =
    let i = l.in_shape.(1) in
    let o = l.out_shape.(0) in
    let h = l.hiddens in
    l.whh <- Init.run l.init_typ [| h; h |] l.whh;
    l.wxh <- Init.run l.init_typ [| i; h |] l.wxh;
    l.why <- Init.run l.init_typ [| h; o |] l.why;
    l.bh <- Mat.zeros 1 h;
    l.by <- Mat.zeros 1 o

  let reset l =
    Mat.reset l.whh;
    Mat.reset l.wxh;
    Mat.reset l.why;
    Mat.reset l.bh;
    Mat.reset l.by

  let mktag t l =
    l.whh <- make_reverse l.whh t;
    l.wxh <- make_reverse l.wxh t;
    l.why <- make_reverse l.why t;
    l.bh <- make_reverse l.bh t;
    l.by <- make_reverse l.by t

let mkpar l = [| l.whh; l.wxh; l.why; l.bh; l.by |]

let mkpri l = [| primal l.whh; primal l.wxh; primal l.why; primal l.bh;
primal l.by |]
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Appendix E Neural Network Module

let mkadj l = [| adjval l.whh; adjval l.wxh; adjval l.why; adjval l.bh;
adjval l.by |]

  let copy l =
    let l' = create l.hiddens l.out_shape.(0) l.act l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'

  let run x l =
    let s = shape x in
    l.h <- Mat.zeros s.(0) l.hiddens;
    let act x = Activation.run_activation x l.act in
    for i = 0 to l.in_shape.(0) - 1 do
      let t = Maths.get_slice [ []; [ i ]; [] ] x in
      let t = Maths.reshape t [| s.(0); s.(2) |] in
      (* recurrent logic, calculate the hidden state *)
      l.h <- act Maths.((l.h *@ l.whh) + (t *@ l.wxh) + l.bh)
    done;
    Maths.((l.h *@ l.why) + l.by)

  let to_string l =
    let t = l.in_shape.(0) in
    let i = l.in_shape.(1) in
    let o = l.out_shape.(0) in
    let h = l.hiddens in
    Printf.sprintf " Recurrent : matrix in:(*,%i,%i) out:(*,%i) \n" t i o
    ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)
    ˆ Printf.sprintf " params : %i\n" ((h * h) + (i * h) + (h * o) + h + o)
    ˆ Printf.sprintf " whh : %i x %i\n" h h
    ˆ Printf.sprintf " wxh : %i x %i\n" i h

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Appendix E Neural Network Module

ˆ Printf.sprintf " why : %i x %i\n" h o

    ˆ Printf.sprintf " bh : %i x %i\n" 1 h
    ˆ Printf.sprintf " by : %i x %i\n" 1 o
    ˆ Printf.sprintf " act : %s\n" (Activation.activation_to_string l.act)

let to_name () = "recurrent"

end

LSTM Module

module LSTM = struct

  type neuron_typ =
    { mutable wxi : t
    ; mutable whi : t
    ; mutable wxc : t
    ; mutable whc : t
    ; mutable wxf : t
    ; mutable whf : t
    ; mutable wxo : t
    ; mutable who : t
    ; mutable bi : t
    ; mutable bc : t
    ; mutable bf : t
    ; mutable bo : t
    ; mutable c : t
    ; mutable h : t
    ; mutable init_typ : Init.typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create ?time_steps ?inputs o init_typ =

    let i =
      match inputs with
       | Some i -> i
       | None -> 0
    in

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    let t =
     match time_steps with
     | Some i -> i
     | None -> 0
    in
    { wxi = Mat.empty 0 o
    ; whi = Mat.empty o o
    ; wxc = Mat.empty 0 o
    ; whc = Mat.empty o o
    ; wxf = Mat.empty 0 o
    ; whf = Mat.empty o o
    ; wxo = Mat.empty 0 o
    ; who = Mat.empty o o
    ; bi = Mat.empty 1 o
    ; bc = Mat.empty 1 o
    ; bf = Mat.empty 1 o
    ; bo = Mat.empty 1 o
    ; c = Mat.empty 0 o
    ; h = Mat.empty 0 o
    ; init_typ
    ; in_shape = [| t; i |]
    ; out_shape = [| o |]
    }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1)

  let init l =
    let i = l.in_shape.(1) in
    let o = l.out_shape.(0) in
    l.wxi <- Init.run l.init_typ [| i; o |] l.wxi;
    l.whi <- Init.run l.init_typ [| o; o |] l.whi;
    l.wxc <- Init.run l.init_typ [| i; o |] l.wxc;
    l.whc <- Init.run l.init_typ [| o; o |] l.whc;

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l.wxf <- Init.run l.init_typ [| i; o |] l.wxf;

    l.whf <- Init.run l.init_typ [| o; o |] l.whf;
    l.wxo <- Init.run l.init_typ [| i; o |] l.wxo;
    l.who <- Init.run l.init_typ [| o; o |] l.who;
    l.bi <- Mat.zeros 1 o;
    l.bc <- Mat.zeros 1 o;
    l.bf <- Mat.zeros 1 o;
    l.bo <- Mat.zeros 1 o

  let reset l =
    Mat.reset l.wxi;
    Mat.reset l.whi;
    Mat.reset l.wxc;
    Mat.reset l.whc;
    Mat.reset l.wxf;
    Mat.reset l.whf;
    Mat.reset l.wxo;
    Mat.reset l.who;
    Mat.reset l.bi;
    Mat.reset l.bc;
    Mat.reset l.bf;
    Mat.reset l.bo

  let mktag t l =
    l.wxi <- make_reverse l.wxi t;
    l.whi <- make_reverse l.whi t;
    l.wxc <- make_reverse l.wxc t;
    l.whc <- make_reverse l.whc t;
    l.wxf <- make_reverse l.wxf t;
    l.whf <- make_reverse l.whf t;
    l.wxo <- make_reverse l.wxo t;
    l.who <- make_reverse l.who t;
    l.bi <- make_reverse l.bi t;
    l.bc <- make_reverse l.bc t;
    l.bf <- make_reverse l.bf t;
    l.bo <- make_reverse l.bo t

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let mkpar l =
[| l.wxi; l.whi; l.wxc; l.whc; l.wxf; l.whf; l.wxo; l.who; l.bi; l.bc;
l.bf; l.bo |]

  let mkpri l =
    [| primal l.wxi
    ; primal l.whi
    ; primal l.wxc
    ; primal l.whc
    ; primal l.wxf
    ; primal l.whf
    ; primal l.wxo
    ; primal l.who
    ; primal l.bi
    ; primal l.bc
    ; primal l.bf
    ; primal l.bo
    |]

  let mkadj l =
    [| adjval l.wxi
    ; adjval l.whi
    ; adjval l.wxc
    ; adjval l.whc
    ; adjval l.wxf
    ; adjval l.whf
    ; adjval l.wxo
    ; adjval l.who
    ; adjval l.bi
    ; adjval l.bc
    ; adjval l.bf
    ; adjval l.bo
    |]

  let update l u =
    l.wxi <- u.(0) |> primal';
    l.whi <- u.(1) |> primal';

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Appendix E Neural Network Module

l.wxc <- u.(2) |> primal';

  let copy l =
    let l' = create l.out_shape.(0) l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'

  let run x l =
    let s = shape x in
    l.h <- Mat.zeros s.(0) l.out_shape.(0);
    l.c <- Mat.zeros s.(0) l.out_shape.(0);
    for i = 0 to l.in_shape.(0) - 1 do
      let t = Maths.get_slice [ []; [ i ]; [] ] x in
      let t = Maths.reshape t [| s.(0); s.(2) |] in
      (* lstm logic, calculate the output *)
      let i = Maths.((t *@ l.wxi) + (l.h *@ l.whi) + l.bi |> sigmoid) in
      let c' = Maths.((t *@ l.wxc) + (l.h *@ l.whc) + l.bc |> tanh) in
      let f = Maths.((t *@ l.wxf) + (l.h *@ l.whf) + l.bf |> sigmoid) in
      l.c <- Maths.((i * c') + (f * l.c));
      let o = Maths.((t *@ l.wxo) + (l.h *@ l.who) + l.bo |> sigmoid) in
      l.h <- Maths.(o * tanh l.c)
    done;
    l.h

  let to_string l =
    let t = l.in_shape.(0) in
    let i = l.in_shape.(1) in

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Appendix E Neural Network Module

    let o = l.out_shape.(0) in
    Printf.sprintf " LSTM : in:(*,%i,%i) out:(*,%i) \n" i t o
    ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)
    ˆ Printf.sprintf
        " params : %i\n"
        ((i * o)
        + (o * o)
        + (i * o)
        + (o * o)
        + (i * o)
        + (o * o)
        + (i * o)
        + (o * o)
        + o
        + o
        + o
        + o)
    ˆ Printf.sprintf " wxi : %i x %i\n" i o
    ˆ Printf.sprintf " whi : %i x %i\n" o o
    ˆ Printf.sprintf " wxc : %i x %i\n" i o
    ˆ Printf.sprintf " whc : %i x %i\n" o o
    ˆ Printf.sprintf " wxf : %i x %i\n" i o
    ˆ Printf.sprintf " whf : %i x %i\n" o o
    ˆ Printf.sprintf " wxo : %i x %i\n" i o
    ˆ Printf.sprintf " who : %i x %i\n" o o
    ˆ Printf.sprintf " bi : %i x %i\n" 1 o
    ˆ Printf.sprintf " bc : %i x %i\n" 1 o
    ˆ Printf.sprintf " bf : %i x %i\n" 1 o
    ˆ Printf.sprintf " bo : %i x %i\n" 1 o
    ˆ ""

let to_name () = "lstm"

end

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Appendix E Neural Network Module

Conv2D Module

module Conv2D = struct

  type neuron_typ =
    { mutable w : t
    ; mutable b : t
    ; mutable kernel : int array
    ; mutable stride : int array
    ; mutable padding : padding
    ; mutable init_typ : Init.typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create ?inputs padding kernel stride init_typ =

    let w, h, i, o = kernel.(0), kernel.(1), kernel.(2), kernel.(3) in
    let in_shape =
      match inputs with
      | Some a ->
        assert (i = a.(2));
        a
      | None -> [| 0; 0; i |]
    in
    { w = Arr.empty [| w; h; i; o |]
    ; b = Arr.empty [| o |]
    ; kernel
    ; stride
    ; padding
    ; init_typ
    ; in_shape
    ; out_shape = [| 0; 0; o |]
    }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    assert (out_shape.(2) = l.in_shape.(2));
    l.in_shape.(0) <- out_shape.(0);

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Appendix E Neural Network Module

l.in_shape.(1) <- out_shape.(1);

    let out_cols, out_rows =
      Owl_utils_infer_shape.calc_conv2d_output_shape
        l.padding
        l.in_shape.(0)
        l.in_shape.(1)
        l.kernel.(0)
        l.kernel.(1)
        l.stride.(0)
        l.stride.(1)
    in
    l.out_shape.(0) <- out_cols;
    l.out_shape.(1) <- out_rows

  let init l =
    l.w <- Init.run l.init_typ l.kernel l.w;
    l.b <- Arr.(zeros (shape l.b))

  let reset l =
    Arr.reset l.w;
    Arr.reset l.b

  let mktag t l =
    l.w <- make_reverse l.w t;
    l.b <- make_reverse l.b t

let mkpar l = [| l.w; l.b |]

let mkpri l = [| primal l.w; primal l.b |]

let mkadj l = [| adjval l.w; adjval l.b |]

  let update l u =
    l.w <- u.(0) |> primal';
    l.b <- u.(1) |> primal'

  let copy l =
    let l' = create l.padding l.kernel l.stride l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'
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Appendix E Neural Network Module

let run x l = Maths.(NN.conv2d ˜padding:l.padding x l.w l.stride + l.b)

  let to_string l =
    let ws = Arr.shape l.w in
    let bn = Arr.shape l.b in
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
    Printf.sprintf " Conv2D : tensor in:[*;%s] out:[*,%s]\n" in_str out_str
    ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)
    ˆ Printf.sprintf " params : %i\n" ((ws.(0) * ws.(1) * ws.(2) * ws.(3))
+ bn.(0))
    ˆ Printf.sprintf " kernel : %i x %i x %i x %i\n" ws.(0) ws.(1)
ws.(2) ws.(3)
    ˆ Printf.sprintf " b : %i\n" bn.(0)
    ˆ Printf.sprintf " stride : [%i; %i]\n" l.stride.(0) l.stride.(1)
    ˆ ""

let to_name () = "conv2d"

end

DilatedConv2D Module

module DilatedConv2D = struct

  type neuron_typ =
    { mutable w : t
    ; mutable b : t
    ; mutable kernel : int array
    ; mutable stride : int array
    ; mutable rate : int array
    ; mutable padding : padding
    ; mutable init_typ : Init.typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create ?inputs padding kernel stride rate init_typ =

let w, h, i, o = kernel.(0), kernel.(1), kernel.(2), kernel.(3) in
let in_shape =

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Appendix E Neural Network Module

match inputs with

       | Some a ->
         assert (i = a.(2));
         a
       | None -> [| 0; 0; i |]
    in
    { w = Arr.empty [| w; h; i; o |]
    ; b = Arr.empty [| o |]
    ; kernel
    ; stride
    ; rate
    ; padding
    ; init_typ
    ; in_shape
    ; out_shape = [| 0; 0; o |]
    }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    assert (out_shape.(2) = l.in_shape.(2));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1);
    let out_cols, out_rows =
      let col_up = l.kernel.(0) + ((l.kernel.(0) - 1) * (l.rate.
(0) - 1)) in
      let row_up = l.kernel.(1) + ((l.kernel.(1) - 1) * (l.rate.
(1) - 1)) in
      Owl_utils_infer_shape.calc_conv2d_output_shape
        l.padding
        l.in_shape.(0)
        l.in_shape.(1)
        col_up
        row_up
        l.stride.(0)
        l.stride.(1)
    in

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Appendix E Neural Network Module

l.out_shape.(0) <- out_cols;

l.out_shape.(1) <- out_rows

  let init l =
    l.w <- Init.run l.init_typ l.kernel l.w;
    l.b <- Arr.(zeros (shape l.b))

  let reset l =
    Arr.reset l.w;
    Arr.reset l.b

  let mktag t l =
    l.w <- make_reverse l.w t;
    l.b <- make_reverse l.b t

let mkpar l = [| l.w; l.b |]

let mkpri l = [| primal l.w; primal l.b |]

let mkadj l = [| adjval l.w; adjval l.b |]

  let update l u =
    l.w <- u.(0) |> primal';
    l.b <- u.(1) |> primal'

  let copy l =
    let l' = create l.padding l.kernel l.stride l.rate l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'

let run x l = Maths.(NN.dilated_conv2d ˜padding:l.padding x l.w l.stride

l.rate + l.b)

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ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)

    ˆ Printf.sprintf " params : %i\n" ((ws.(0) * ws.(1) * ws.(2) * ws.(3))
+ bn.(0))
    ˆ Printf.sprintf " kernel : %i x %i x %i x %i\n" ws.(0) ws.(1)
ws.(2) ws.(3)
    ˆ Printf.sprintf " b : %i\n" bn.(0)
    ˆ Printf.sprintf " stride : [%i; %i]\n" l.stride.(0) l.stride.(1)
    ˆ Printf.sprintf " rate : [%i; %i]\n" l.rate.(0) l.rate.(1)
    ˆ ""

let to_name () = "dilated_conv2d"

end

TransposeConv2D Module

module TransposeConv2D = struct

let create ?inputs padding kernel stride init_typ =

    let w, h, i, o = kernel.(0), kernel.(1), kernel.(2), kernel.(3) in
    let in_shape =
      match inputs with
      | Some a ->
        assert (i = a.(2));
        a
      | None -> [| 0; 0; i |]
    in
    { w = Arr.empty [| w; h; i; o |]

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Appendix E Neural Network Module

    ; b = Arr.empty [| o |]
    ; kernel
    ; stride
    ; padding
    ; init_typ
    ; in_shape
    ; out_shape = [| 0; 0; o |]
    }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    assert (out_shape.(2) = l.in_shape.(2));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1);
    let out_cols, out_rows =
      Owl_utils_infer_shape.calc_transpose_conv2d_output_shape
        l.padding
        l.in_shape.(0)
        l.in_shape.(1)
        l.kernel.(0)
        l.kernel.(1)
        l.stride.(0)
        l.stride.(1)
    in
    l.out_shape.(0) <- out_cols;
    l.out_shape.(1) <- out_rows

  let init l =
    l.w <- Init.run l.init_typ l.kernel l.w;
    l.b <- Arr.(zeros (shape l.b))

  let reset l =
    Arr.reset l.w;
    Arr.reset l.b

  let mktag t l =
    l.w <- make_reverse l.w t;
    l.b <- make_reverse l.b t
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Appendix E Neural Network Module

let mkpar l = [| l.w; l.b |]

let mkpri l = [| primal l.w; primal l.b |]

let mkadj l = [| adjval l.w; adjval l.b |]

  let update l u =
    l.w <- u.(0) |> primal';
    l.b <- u.(1) |> primal'

  let copy l =
    let l' = create l.padding l.kernel l.stride l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'

let run x l = Maths.(NN.transpose_conv2d ˜padding:l.padding x l.w

l.stride + l.b)

  let to_string l =
    let ws = Arr.shape l.w in
    let bn = Arr.shape l.b in
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
    Printf.sprintf " TransposeConv2D : tensor in:[*;%s] out:[*,%s]\n" in_
str out_str
    ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)
    ˆ Printf.sprintf " params : %i\n" ((ws.(0) * ws.(1) * ws.(2) * ws.(3))
+ bn.(0))
    ˆ Printf.sprintf " kernel : %i x %i x %i x %i\n" ws.(0) ws.(1)
ws.(2) ws.(3)
    ˆ Printf.sprintf " b : %i\n" bn.(0)
    ˆ Printf.sprintf " stride : [%i; %i]\n" l.stride.(0) l.stride.(1)
    ˆ ""

let to_name () = "transpose_conv2d"

end

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Appendix E Neural Network Module

FullyConnected Module

module FullyConnected = struct

  type neuron_typ =
    { mutable w : t
    ; mutable b : t
    ; mutable init_typ : Init.typ
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create ?inputs o init_typ =

    let in_shape =
      match inputs with
      | Some i -> [| i |]
      | None -> [| 0 |]
    in
    { w = Mat.empty 0 o; b = Mat.empty 1 o; init_typ; in_shape; out_shape =
[| o |] }

let connect out_shape l =

assert (Array.length out_shape > 0);
l.in_shape <- Array.copy out_shape

  let init l =
    let m = Array.fold_left (fun a b -> a * b) 1 l.in_shape in
    let n = l.out_shape.(0) in
    l.w <- Init.run l.init_typ [| m; n |] l.w;
    l.b <- Mat.zeros 1 n

  let reset l =
    Mat.reset l.w;
    Mat.reset l.b

  let mktag t l =
    l.w <- make_reverse l.w t;
    l.b <- make_reverse l.b t

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Appendix E Neural Network Module

let mkpar l = [| l.w; l.b |]

let mkpri l = [| primal l.w; primal l.b |]

let mkadj l = [| adjval l.w; adjval l.b |]

  let update l u =
    l.w <- u.(0) |> primal';
    l.b <- u.(1) |> primal'

  let copy l =
    let l' = create l.out_shape.(0) l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'

  let run x l =
    let m = Mat.row_num l.w in
    let n = Arr.numel x / m in
    let x = Maths.reshape x [| n; m |] in
    let y = Maths.((x *@ l.w) + l.b) in
    y

  let to_string l =
    let wm = Array.fold_left (fun a b -> a * b) 1 l.in_shape in
    let wn = l.out_shape.(0) in
    let bn = l.out_shape.(0) in
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    Printf.sprintf
    " FullyConnected : tensor in:[*,%s] matrix out:(*,%i)\n"
    in_str
    l.out_shape.(0)
    ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)
    ˆ Printf.sprintf " params : %i\n" ((wm * wn) + bn)
    ˆ Printf.sprintf " w : %i x %i\n" wm wn
    ˆ Printf.sprintf " b : %i x %i\n" 1 bn
    ˆ ""

let to_name () = "fullyconnected"

end

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Appendix E Neural Network Module

MaxPool2D Module

module MaxPool2D = struct

  type neuron_typ =
    { mutable padding : padding
    ; mutable kernel : int array
    ; mutable stride : int array
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create padding kernel stride =

{ padding; kernel; stride; in_shape = [| 0; 0; 0 |]; out_shape = [| 0;
0; 0 |] }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1);
    l.in_shape.(2) <- out_shape.(2);
    let out_cols, out_rows =
      Owl_utils_infer_shape.calc_conv2d_output_shape
        l.padding
        l.in_shape.(0)
        l.in_shape.(1)
        l.kernel.(0)
        l.kernel.(1)
        l.stride.(0)
        l.stride.(1)
    in
    l.out_shape.(0) <- out_cols;
    l.out_shape.(1) <- out_rows;
    l.out_shape.(2) <- out_shape.(2)

let copy l = create l.padding l.kernel l.stride

let run x l = NN.max_pool2d l.padding x l.kernel l.stride

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Appendix E Neural Network Module

  let to_string l =
    let padding_s =
      match l.padding with
      | SAME -> "SAME"
      | VALID -> "VALID"
    in
    Printf.sprintf
      " MaxPool2D : tensor in:[*,%i,%i,%i] out:[*,%i,%i,%i]\n"
      l.in_shape.(0)
      l.in_shape.(1)
      l.in_shape.(2)
      l.out_shape.(0)
      l.out_shape.(1)
      l.out_shape.(2)
      ˆ Printf.sprintf " padding : %s\n" padding_s
      ˆ Printf.sprintf " kernel : [%i; %i]\n" l.kernel.(0) l.kernel.(1)
      ˆ Printf.sprintf " stride : [%i; %i]\n" l.stride.(0) l.stride.(1)
      ˆ ""

let to_name () = "maxpool2d"

end

AvgPool2D Module

module AvgPool2D = struct

  type neuron_typ =
    { mutable padding : padding
    ; mutable kernel : int array
    ; mutable stride : int array
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create padding kernel stride =

{ padding; kernel; stride; in_shape = [| 0; 0; 0 |]; out_shape = [| 0;
0; 0 |] }

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Appendix E Neural Network Module

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1);
    l.in_shape.(2) <- out_shape.(2);
    let out_cols, out_rows =
      Owl_utils_infer_shape.calc_conv2d_output_shape
      l.padding
      l.in_shape.(0)
      l.in_shape.(1)
      l.kernel.(0)
      l.kernel.(1)
      l.stride.(0)
      l.stride.(1)
    in
    l.out_shape.(0) <- out_cols;
    l.out_shape.(1) <- out_rows;
    l.out_shape.(2) <- out_shape.(2)

let copy l = create l.padding l.kernel l.stride

let run x l = NN.avg_pool2d l.padding x l.kernel l.stride

  let to_string l =
    let padding_s =
      match l.padding with
      | SAME -> "SAME"
      | VALID -> "VALID"
    in
    Printf.sprintf
      " AvgPool2D : tensor in:[*,%i,%i,%i] out:[*,%i,%i,%i]\n"
      l.in_shape.(0)
      l.in_shape.(1)
      l.in_shape.(2)
      l.out_shape.(0)
      l.out_shape.(1)
      l.out_shape.(2)

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Appendix E Neural Network Module

ˆ Printf.sprintf " padding : %s\n" padding_s

      ˆ Printf.sprintf " kernel : [%i; %i]\n" l.kernel.(0) l.kernel.(1)
      ˆ Printf.sprintf " stride : [%i; %i]\n" l.stride.(0) l.stride.(1)
      ˆ ""

let to_name () = "avgpool2d"

end

UpSampling2D Module

module UpSampling2D = struct

  type neuron_typ =
    { mutable size : int array
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create size = { size; in_shape = [| 0; 0; 0 |]; out_shape = [| 0;

0; 0 |] }

let connect out_shape l =

    assert (Array.(length out_shape = length l.in_shape));
    l.in_shape.(0) <- out_shape.(0);
    l.in_shape.(1) <- out_shape.(1);
    l.in_shape.(2) <- out_shape.(2);
    l.out_shape.(0) <- l.in_shape.(0) * l.size.(0);
    l.out_shape.(1) <- l.in_shape.(1) * l.size.(1);
    l.out_shape.(2) <- out_shape.(2)

let copy l = create l.size

let run x l = NN.(upsampling2d x l.size)

  let to_string l =
    Printf.sprintf
      " UpSampling2D : tensor in:[*,%i,%i,%i] out:[*,%i,%i,%i]\n"
      l.in_shape.(0)
      l.in_shape.(1)
      l.in_shape.(2)

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Appendix E Neural Network Module

      l.out_shape.(0)
      l.out_shape.(1)
      l.out_shape.(2)
    ˆ Printf.sprintf " size : [%i; %i]\n" l.size.(0) l.size.(1)
    ˆ ""

let to_name () = "upsampling2d"

end

Dropout Module

module Dropout = struct

  type neuron_typ =
    { mutable rate : float
    ; mutable in_shape : int array
    ; mutable out_shape : int array
  }

let create rate = { rate; in_shape = [||]; out_shape = [||] }

let connect out_shape l =

l.in_shape <- Array.copy out_shape;
l.out_shape <- Array.copy out_shape

let copy l = create l.rate

  let run x l =
    let a = _f (1. /. (1. -. l.rate)) in
    let b = NN.(dropout ˜rate:l.rate x) in
    Maths.(a * b)

  let to_string l =
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
    Printf.sprintf " Dropout : in:[*,%s] out:[*,%s]\n" in_str out_str
    ˆ Printf.sprintf " rate : %g\n" l.rate

let to_name () = "dropout"

end

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Appendix E Neural Network Module

GaussianDropout Module

module GaussianDropout = struct

  type neuron_typ =
    { mutable rate : float
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create rate = { rate; in_shape = [||]; out_shape = [||] }

let connect out_shape l =

l.in_shape <- Array.copy out_shape;
l.out_shape <- Array.copy out_shape

let copy l = create l.rate

  let run x l =
    let s = shape x in
    let sigma = Stdlib.sqrt (l.rate /. (1. -. l.rate)) in
    let a =
      match primal' x with
      | Arr _ -> Arr.gaussian ˜sigma:(A.float_to_elt sigma) s
      | _ -> failwith "owl_neural_neuron:gaussiandropout:run"
    in
    Maths.(x * (a + _f 1.))

  let to_string l =
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
    Printf.sprintf " GaussianDropout : in:[*,%s] out:[*,%s]\n" in_
str out_str
    ˆ Printf.sprintf " rate : %g\n" l.rate

let to_name () = "gaussian_dropout"

end

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Appendix E Neural Network Module

AlphaDropout Module

module AlphaDropout = struct

  type neuron_typ =
    { mutable rate : float
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create rate = { rate; in_shape = [||]; out_shape = [||] }

let connect out_shape l =

l.in_shape <- Array.copy out_shape;
l.out_shape <- Array.copy out_shape

let copy l = create l.rate

  let run x l =
    (* parameters of affine transformation *)
    let alpha = 1.6732632423543772848170429916717 in
    let scale = 1.0507009873554804934193349852946 in
    let p = -.alpha *. scale in
    let a = ((1. -. l.rate) *. (1. +. (l.rate *. (p ** 2.)))) ** -0.5 in
    let b = -.a *. p *. l.rate in
    let s = shape x in
    let mask =
      match primal' x with
      | Arr _ -> Arr A.(bernoulli ˜p:(A.float_to_elt (1. -. l.rate)) s)
      | _ -> failwith "owl_neural_neuron:alphadropout:run"
    in
    let p = _f p in
    let a = _f a in
    let b = _f b in
    let x = Maths.((x * mask) + (p * (_f 1. - mask))) in
    Maths.((a * x) + b)

  let to_string l =
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
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Appendix E Neural Network Module

Printf.sprintf " AlphaDropout : in:[,%s] out:[,%s]\n" in_str out_str

ˆ Printf.sprintf " rate : %g\n" l.rate

let to_name () = "alpha_dropout"

end

Flatten Module

module Flatten = struct

  type neuron_typ =
    { mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create () = { in_shape = [||]; out_shape = [||] }

let connect out_shape l =

    let o = Array.fold_left (fun a b -> a * b) 1 out_shape in
      l.in_shape <- Array.copy out_shape;
      l.out_shape <- [| o |]

let copy _l = create ()

let run x l = Maths.reshape x [| (shape x).(0); l.out_shape.(0) |]

  let to_string l =
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    Printf.sprintf " Flatten : in:[*,%s] out:[*,%i]\n" in_str l.out_
shape.(0)

let to_name () = "flatten"

end

Slice Module

module Slice = struct

  type neuron_typ =
    { mutable in_shape : int array
    ; mutable out_shape : int array
    ; mutable slice : int list list
    }

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Appendix E Neural Network Module

let create slice = { in_shape = [||]; out_shape = [||]; slice }

let connect out_shape l =

    assert (List.length l.slice <= Array.length out_shape);
    (* Calculate the output shape based on input and slice *)
    l.in_shape <- Array.copy out_shape;
    l.out_shape <- Owl_utils_infer_shape.slice out_shape l.slice

let copy l = create l.slice

let run x l = Maths.get_slice ([] :: l.slice) x

  let to_string l =
    let in_str = Owl_utils_array.to_string string_of_int l.in_shape in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
    let slice_str =
      List.mapi
        (fun i l ->
           let s = List.map string_of_int l |> String.concat "; " in
           Printf.sprintf "%i:[%s]" i s)
        l.slice
      |> String.concat " "
    in
    Printf.sprintf " Slice : in:[*,%s] out:[*,%s]\n" in_str out_str
    ˆ Printf.sprintf " Axes : %s\n" slice_str

let to_name () = "slice"

end

Add Module

module Add = struct

  type neuron_typ =
    { mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create () = { in_shape = [||]; out_shape = [||] }

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Appendix E Neural Network Module

let connect out_shapes l =

    Array.iter (fun s -> assert (s = out_shapes.(0))) out_shapes;
    l.in_shape <- Array.copy out_shapes.(0);
    l.out_shape <- Array.copy out_shapes.(0)

let copy _l = create ()

  let run x _l =
    let n = Array.length x in
    (* at least two inputs *)
    assert (n > 1);
    let acc = ref x.(0) in
    for i = 1 to n - 1 do
      acc := Maths.(!acc + x. (i))
    done;
    !acc

let to_name () = "add"

end

Mul Module

module Mul = struct

  type neuron_typ =
    { mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create () = { in_shape = [||]; out_shape = [||] }

let connect out_shapes l =

    Array.iter (fun s -> assert (s = out_shapes.(0))) out_shapes;
    l.in_shape <- Array.copy out_shapes.(0);
    l.out_shape <- Array.copy out_shapes.(0)

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Appendix E Neural Network Module

let copy _l = create ()

  let run x _l =
    let n = Array.length x in
    (* at least two inputs *)
    assert (n > 1);
    let acc = ref x.(0) in
    for i = 1 to n - 1 do
      acc := Maths.(!acc * x. (i))
    done;
    !acc

let to_name () = "mul"

end

Dot Module

module Dot = struct

    type neuron_typ =
    { mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create () = { in_shape = [||]; out_shape = [||] }

let connect out_shapes l =

    (* for dot neuron, two matrices must have [*,m][m,n] shape *)
    let m = out_shapes.(1).(0) in
    let n = out_shapes.(1).(1) in
    assert (m = out_shapes.(0).(1));
    l.in_shape <- [| m; n |];
    l.out_shape <- [| n |]

let copy _l = create ()

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Appendix E Neural Network Module

  let run x _l =
    assert (Array.length x = 2);
    Maths.(x.(0) *@ x.(1))

  let to_string l =
    let m = l.in_shape.(0) in
    let n = l.in_shape.(1) in
    Printf.sprintf " Dot : in:[*,%i] [%i,%i] out:[*,%i]\n" m m n n

let to_name () = "dot"

end

Max Module

module Max = struct

  type neuron_typ =
    { mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create () = { in_shape = [||]; out_shape = [||] }

let connect out_shapes l =

    Array.iter (fun s -> assert (s = out_shapes.(0))) out_shapes;
    l.in_shape <- Array.copy out_shapes.(0);
    l.out_shape <- Array.copy out_shapes.(0)

let copy _l = create ()

  let run x _l =
    let n = Array.length x in
    (* at least two inputs *)
    assert (n > 1);
    let acc = ref x.(0) in
    for i = 1 to n - 1 do
      acc := Maths.(max2 !acc x. (i))
    done;
    !acc

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Appendix E Neural Network Module

let to_name () = "max"

end

Concatenate Module

module Concatenate = struct

  type neuron_typ =
    { mutable axis : int
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create axis = { axis; in_shape = [||]; out_shape = [||] }

let connect out_shapes l =

    let s0 = out_shapes.(0) in
    let _d = ref 0 in
    Array.iter
      (fun s1 ->
        Array.iteri
         (fun i d -> if i + 1 <> l.axis then assert (d = s0. (i)) else _d
:= !_d + d)
         s1)
      out_shapes;
    l.in_shape <- Array.copy s0;
    l.out_shape <- Array.copy s0;
    (* should not concatenate along batchs axis *)
    assert (l.axis > 0);
    l.in_shape.(l.axis - 1) <- -1;
    l.out_shape.(l.axis - 1) <- !_d

let copy l = create l.axis

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Appendix E Neural Network Module

  let run x l =
    let n = Array.length x in
    (* at least two inputs *)
    assert (n > 1);
    let acc = ref x.(0) in
    for i = 1 to n - 1 do
      acc := Maths.(concat ˜axis:l.axis !acc x. (i))
    done;
    !acc

  let to_string l =
    let in_str =
      Owl_utils_array.to_string
        (fun i -> if i = -1 then "*" else string_of_int i)
        l.in_shape
    in
    let out_str = Owl_utils_array.to_string string_of_int l.out_shape in
    Printf.sprintf " Concatenate : in:[*,%s] out:[*,%s]\n" in_str out_str
    ˆ Printf.sprintf " axis : %i\n" l.axis
    ˆ ""

let to_name () = "concatenate"

end

Embedding Module

module Embedding = struct

  type neuron_typ =
    { mutable w : t
    ; mutable init_typ : Init.typ
    ; mutable in_dim : int
    ; mutable in_shape : int array
    ; mutable out_shape : int array
    }

let create ?inputs in_dim out_dim init_typ =

let i =
match inputs with

420
Appendix E Neural Network Module

| Some i -> i

      | None -> 0
    in
    { w = Mat.empty 0 0
    ; init_typ
    ; in_dim
    ; in_shape = [| i |]
    ; out_shape = [| i; out_dim |]
    }

let connect out_shape l =

    assert (Array.(length out_shape = 1));
    l.in_shape.(0) <- out_shape.(0);
    l.out_shape.(0) <- out_shape.(0)

  let init l =
    let m = l.in_dim in
    let n = l.out_shape.(1) in
    l.w <- Init.run l.init_typ [| m; n |] l.w

let reset l = Mat.reset l.w

let mktag t l = l.w <- make_reverse l.w t

let mkpar l = [| l.w |]

let mkpri l = [| primal l.w |]

let mkadj l = [| adjval l.w |]

let update l u = l.w <- u.(0) |> primal'

  let copy l =
    let l' = create l.in_dim l.out_shape.(1) l.init_typ in
    mkpri l |> Array.map copy_primal' |> update l';
    l'

  let run x l =
    let x = primal' x |> unpack_arr in
    let s = A.shape x in

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Appendix E Neural Network Module

let m, n = s.(0), s.(1) in

    let y = A.one_hot l.in_dim (A.reshape x [| m * n |]) in
    let y = Maths.(Arr y *@ l.w) in
    Maths.reshape y [| m; n; l.out_shape.(1) |]

  let to_string l =
    let wm, wn = l.in_dim, l.out_shape.(1) in
    Printf.sprintf
    " Embedding : matrix in:(*,%i) out:(*,%i,%i) \n"
    l.in_shape.(0)
    l.out_shape.(0)
    l.out_shape.(1)
    ˆ Printf.sprintf " init : %s\n" (Init.to_string l.init_typ)
    ˆ Printf.sprintf " in_dim : %i\n" l.in_dim
    ˆ Printf.sprintf " params : %i\n" (wm * wn)
    ˆ Printf.sprintf " w : %i x %i\n" wm wn
    ˆ ""

let to_name () = "embedding"

end

422
APPENDIX F

Actor System for

Distributed Computing
F.1 MapReduce Engine
Interface

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Data Parallel: Map-Reduce module *)

val init : string -> string -> unit

val map : ('a -> 'b) -> string -> string

val map_partition : ('a list -> 'b list) -> string -> string

val flatmap : ('a -> 'b list) -> string -> string

val reduce : ('a -> 'a -> 'a) -> string -> 'a option

val reduce_by_key : ('a -> 'a -> 'a) -> string -> string

val fold : ('a -> 'b -> 'a) -> 'a -> string -> 'a

val filter : ('a -> bool) -> string -> string

val flatten : string -> string

val shuffle : string -> string

423
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5
Appendix F Actor System for Distributed Computing

val union : string -> string -> string

val join : string -> string -> string

val broadcast : 'a -> string

val get_value : string -> 'a

val count : string -> int

val collect : string -> 'a list

val terminate : unit -> unit

val apply : ('a list -> 'b list) -> string list -> string list ->
string list

val load : string -> string

val save : string -> string -> int

Server

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Data Parallel: Map-Reduce server module *)

open Actor_types

(* the global context: master, worker, etc. *)

let _context = ref (Actor_utils.empty_mapre_context ())

let barrier bar = Actor_barrier.mapre_bsp bar _context

let _broadcast_all t s =
  let bar = Random.int 536870912 in
  StrMap.iter (fun _k v -> Actor_utils.send ˜bar v t s) !_context.workers;
  Bar

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Appendix F Actor System for Distributed Computing

let run_job_eager () =
  List.iter (fun s ->
    let s' = List.map (fun x -> Actor_dag.get_vlabel_f x) s in
    let bar = _broadcast_all Pipeline (Array.of_list s') in
    let _ = barrier bar in
    Actor_dag.mark_stage_done s;
  ) (Actor_dag.stages_eager ())

let run_job_lazy x =
  List.iter (fun s ->
    let s' = List.map (fun x -> Actor_dag.get_vlabel_f x) s in
    let bar = _broadcast_all Pipeline (Array.of_list s') in
    let _ = barrier bar in
    Actor_dag.mark_stage_done s;
   ) (Actor_dag.stages_lazy x)

let collect x =
  Owl_log.info "%s" ("collect " ˆ x ˆ "\n");
  run_job_lazy x;
  let bar = _broadcast_all Collect [|x|] in
  barrier bar
  |> List.map (fun m -> Marshal.from_string m.par.(0) 0)

let count x =
  Owl_log.info "%s" ("count " ˆ x ˆ "\n");
  run_job_lazy x;
  let bar = _broadcast_all Count [|x|] in
  barrier bar
  |> List.map (fun m -> Marshal.from_string m.par.(0) 0)
  |> List.fold_left (+) 0

let fold f a x =
Owl_log.info "%s" ("fold " ˆ x ˆ "\n");
  run_job_lazy x;
  let g = Marshal.to_string f [ Marshal.Closures ] in
  let bar = _broadcast_all Fold [|g; x|] in
  barrier bar

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Appendix F Actor System for Distributed Computing

|> List.map (fun m -> Marshal.from_string m.par.(0) 0)

let reduce f x =
  Owl_log.info "%s" ("reduce " ˆ x ˆ "\n");
  run_job_lazy x;
  let g = Marshal.to_string f [ Marshal.Closures ] in
  let bar = _broadcast_all Reduce [|g; x|] in
  let y = barrier bar
  |> List.map (fun m -> Marshal.from_string m.par.(0) 0)
  |> List.filter (function Some _x -> true | None -> false)
  |> List.map (function Some x -> x | None -> failwith "") in
  match y with
  | hd :: tl -> Some (List.fold_left f hd tl)
  | [] -> None

let terminate () =
  Owl_log.info "%s" ("terminate #" ˆ !_context.job_id ˆ "\n");
  let bar = _broadcast_all Terminate [||] in
  let _ = barrier bar in ()

let broadcast x =
  Owl_log.info "%s" ("broadcast -> " ˆ string_of_int (StrMap.cardinal !_
context.workers)   ˆ
  let y = Actor_memory.rand_id () in
  let bar = _broadcast_all Broadcast [|Marshal.to_string x []; y|] in
  let _ = barrier bar in y

let get_value x = Actor_memory.find x

let map f x =
  let y = Actor_memory.rand_id () in
  Owl_log.info "%s" ("map " ˆ x ˆ " -> " ˆ y ˆ "\n");
  let g = Marshal.to_string f [ Marshal.Closures ] in
  Actor_dag.add_edge (to_msg 0 MapTask [|g; x; y|]) x y Red; y

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Appendix F Actor System for Distributed Computing

  let map_partition f x =
  let y = Actor_memory.rand_id () in
  Owl_log.info "%s" ("map_partition " ˆ x ˆ " -> " ˆ y ˆ "\n");
  let g = Marshal.to_string f [ Marshal.Closures ] in
  Actor_dag.add_edge (to_msg 0 MapPartTask [|g; x; y|]) x y Red; y

let filter f x =
  let y = Actor_memory.rand_id () in
  Owl_log.info "%s" ("filter " ˆ x ˆ " -> " ˆ y ˆ "\n");
  let g = Marshal.to_string f [ Marshal.Closures ] in
  Actor_dag.add_edge (to_msg 0 FilterTask [|g; x; y|]) x y Red; y

let flatten x =
  let y = Actor_memory.rand_id () in
  Owl_log.info "%s" ("flatten " ˆ x ˆ " -> " ˆ y ˆ "\n");
  Actor_dag.add_edge (to_msg 0 FlattenTask [|x; y|]) x y Red; y

let flatmap f x = flatten (map f x)

  let union x y =
  let z = Actor_memory.rand_id () in
  Owl_log.info "%s" ("union " ˆ x ˆ " & " ˆ y ˆ " -> " ˆ z ˆ "\n");
  Actor_dag.add_edge (to_msg 0 UnionTask [|x; y; z|]) x z Red;
  Actor_dag.add_edge (to_msg 0 UnionTask [|x; y; z|]) y z Red; z

  let shuffle x =
  let y = Actor_memory.rand_id () in
  Owl_log.info "%s" ("shuffle " ˆ x ˆ " -> " ˆ y ˆ "\n");
  let z = Marshal.to_string (StrMap.keys !_context.workers) [] in
  let b = Marshal.to_string (Random.int 536870912) [] in
  Actor_dag.add_edge (to_msg 0 ShuffleTask [|x; y; z; b|]) x y Blue; y

let reduce_by_key f x =
(* TODO: without local combiner ... keep or not? *)
  let x = shuffle x in
  let y = Actor_memory.rand_id () in
  Owl_log.info "%s" ("reduce_by_key " ˆ x ˆ " -> " ˆ y ˆ "\n");
  let g = Marshal.to_string f [ Marshal.Closures ] in
  Actor_dag.add_edge (to_msg 0 ReduceByKeyTask [|g; x; y|]) x y Red; y

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Appendix F Actor System for Distributed Computing

let join x y =
  let z = Actor_memory.rand_id () in
  Owl_log.info "%s" ("join " ˆ x ˆ " & " ˆ y ˆ " -> " ˆ z ˆ "\n");
  let x, y = shuffle x, shuffle y in
  Actor_dag.add_edge (to_msg 0 JoinTask [|x; y; z|]) x z Red;
  Actor_dag.add_edge (to_msg 0 JoinTask [|x; y; z|]) y z Red; z

let apply f i o =
  Owl_log.info "%s" ("apply f ... " ˆ "\n");
  let g = Marshal.to_string f [ Marshal.Closures ] in
  let o = List.map (fun _ -> Actor_memory.rand_id ()) o in
  let x = Marshal.to_string i [ ] in
  let y = Marshal.to_string o [ ] in
  let z = Actor_memory.rand_id () in
  List.iter (fun m -> Actor_dag.add_edge (to_msg 0 ApplyTask [|g; x; z;
y|]) m z Red) i;
  List.iter (fun n -> Actor_dag.add_edge (to_msg 0 NopTask [|z; y|]) z n
Red) o; o

let load x =
  Owl_log.info "%s" ("load " ˆ x ˆ "\n");
  let y = Actor_memory.rand_id () in
  let bar = _broadcast_all Load [|x; y|] in
  let _ = barrier bar in y

let save x y =
  Owl_log.info "%s" ("save " ˆ x ˆ "\n");
  let bar = _broadcast_all Save [|x; y|] in
  barrier bar
  |> List.map (fun m -> Marshal.from_string m.par.(0) 0)
  |> List.fold_left (+) 0

let init m context =

  _context := context;
  (* contact allocated actors to assign jobs *)
  let addrs = Marshal.from_string m.par.(0) 0 in
  List.map (fun x ->

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Appendix F Actor System for Distributed Computing

let req = ZMQ.Socket.create !_context.ztx ZMQ.Socket.req in

    ZMQ.Socket.connect req x;
    let app = Filename.basename Sys.argv.(0) in
    let arg = Marshal.to_string Sys.argv [] in
    Actor_utils.send req Job_Create [|!_context.myself_addr; app;
arg|]; req
  ) addrs |> List.iter ZMQ.Socket.close;
  (* wait until all the allocated actors register *)
  while (StrMap.cardinal !_context.workers) < (List.length addrs) do
    let _i, m = Actor_utils.recv !_context.myself_sock in
    let s = ZMQ.Socket.create !_context.ztx ZMQ.Socket.dealer in
    ZMQ.Socket.connect s m.par.(0);
    !_context.workers <- (StrMap.add m.par.(0) s !_context.workers);
  done

Client

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(** Data Parallel: Map-Reduce client module *)

open Actor_types

(* the global context: master, worker, etc. *)

let _context = ref (Actor_utils.empty_mapre_context ())

let barrier bar = Actor_barrier.mapre_bsp bar _context

let shuffle bar x z =

  List.mapi (fun i k ->
    let v = Actor_utils.choose_load x (List.length z) i in
    let s = if StrMap.mem k !_context.workers then
      StrMap.find k !_context.workers
    else (
      let s = ZMQ.Socket.(create !_context.ztx dealer) in
      let _ = ZMQ.Socket.(set_identity s !_context.myself_addr;

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Appendix F Actor System for Distributed Computing

connect s k) in
      let _ = !_context.workers <- StrMap.add k s !_context.workers in
      let _ = ZMQ.Socket.set_send_high_water_mark s Actor_config.high_
warter_mark in
      s ) in
    Actor_utils.send ˜bar s OK [|Marshal.to_string v []|]
  ) z

let process_pipeline s =
  Array.iter (fun s ->
    let m = of_msg s in
    match m.typ with
    | MapTask -> (
        Owl_log.info "%s" ("map @ " ˆ !_context.myself_addr);
        let f : 'a -> 'b = Marshal.from_string m.par.(0) 0 in
        List.map f (Actor_memory.find m.par.(1)) |> Actor_memory.add
m.par.(2)
      )
    | MapPartTask -> (
        Owl_log.info "%s" ("map_partition @ " ˆ !_context.myself_addr);
        let f : 'a list -> 'b list = Marshal.from_string m.par.(0) 0 in
        f (Actor_memory.find m.par.(1)) |> Actor_memory.add m.par.(2)
      )
    | FilterTask -> (
        Owl_log.info "%s" ("filter @ " ˆ !_context.myself_addr);
        let f : 'a -> bool = Marshal.from_string m.par.(0) 0 in
        List.filter f (Actor_memory.find m.par.(1)) |> Actor_memory.add
m.par.(2)
      )
    | FlattenTask -> (
        Owl_log.info "%s" ("flatten @ " ˆ !_context.myself_addr);
        List.flatten (Actor_memory.find m.par.(0)) |> Actor_memory.add
m.par.(1)
      )

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Appendix F Actor System for Distributed Computing

| UnionTask -> (

        Owl_log.info "%s" ("union @ " ˆ !_context.myself_addr);
        (Actor_memory.find m.par.(0)) @ (Actor_memory.find m.par.(1))
        |> Actor_memory.add m.par.(2)
      )
    | ReduceByKeyTask -> (
        Owl_log.info "%s" ("reduce_by_key @ " ˆ !_context.myself_addr);
        let f : 'a -> 'a -> 'a = Marshal.from_string m.par.(0) 0 in
        Actor_memory.find m.par.(1) |> Actor_utils.group_by_key |> List.map
(fun (k,l) ->
          match l with
          | hd :: tl -> (k, List.fold_left f hd tl)
          | [] -> failwith "error in reduce"
        )
        |> Actor_memory.add m.par.(2)
      )
    | JoinTask -> (
        Owl_log.info "%s" ("join @ " ˆ !_context.myself_addr);
        (Actor_memory.find m.par.(0)) @ (Actor_memory.find m.par.(1))
        |> Actor_utils.group_by_key |> Actor_memory.add m.par.(2)
      )
    | ShuffleTask -> (
        Owl_log.info "%s" ("shuffle @ " ˆ !_context.myself_addr);
        let x = Actor_memory.find m.par.(0) |> Actor_utils.group_by_key in
        let z = Marshal.from_string m.par.(2) 0 in
        let bar = Marshal.from_string m.par.(3) 0 in
        let _ = shuffle bar x z in
        barrier bar
        |> List.map (fun m -> Marshal.from_string m.par.(0) 0 |> Actor_
utils.flatten_kvg)
        |> List.flatten |> Actor_memory.add m.par.(1);
      )
    | _ -> Owl_log.info "%s" "unknown task types"
  ) s

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Appendix F Actor System for Distributed Computing

let service_loop () =
  Owl_log.debug "mapre worker @ %s" !_context.myself_addr;
  (* set up local loop of a job worker *)
  try while true do
    let i, m = Actor_utils.recv !_context.myself_sock in
    let bar = m.bar in
    match m.typ with
    | Count -> (
        Owl_log.info "%s" ("count @ " ˆ !_context.myself_addr);
        let y = List.length (Actor_memory.find m.par.(0)) in
        Actor_utils.send ˜bar !_context.master_sock OK [|Marshal.to_
string y []|]
       )
    | Collect -> (
        Owl_log.info "%s" ("collect @ " ˆ !_context.myself_addr);
        let y = Actor_memory.find m.par.(0) in
        Actor_utils.send ˜bar !_context.master_sock OK [|Marshal.to_
string y []|]
      )
    | Broadcast -> (
        Owl_log.info "%s" ("broadcast @ " ˆ !_context.myself_addr);
        Actor_memory.add m.par.(1) (Marshal.from_string m.par.(0) 0);
        Actor_utils.send ˜bar !_context.master_sock OK [||]
      )
    | Reduce -> (
        Owl_log.info "%s" ("reduce @ " ˆ !_context.myself_addr);
        let f : 'a -> 'a -> 'a = Marshal.from_string m.par.(0) 0 in
        let y =
           match Actor_memory.find m.par.(1) with
           | hd :: tl -> Some (List.fold_left f hd tl)
           | [] -> None
        in
        Actor_utils.send ˜bar !_context.master_sock OK [|Marshal.to_
string y []|];
      )

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Appendix F Actor System for Distributed Computing

| Fold -> (

        Owl_log.info "%s" ("fold @ " ˆ !_context.myself_addr);
        let f : 'a -> 'b -> 'a = Marshal.from_string m.par.(0) 0 in
        let y =
          match Actor_memory.find m.par.(1) with
          | hd :: tl -> Some (List.fold_left f hd tl)
          | [] -> None
        in
        Actor_utils.send ˜bar !_context.master_sock OK [|Marshal.to_
string y []|];
      )
    | Pipeline -> (
      Owl_log.info "%s" ("pipelined @ " ˆ !_context.myself_addr);
process_pipeline m.par;
      Actor_utils.send ˜bar !_context.master_sock OK [||]
      )
    | Terminate -> (
        Owl_log.info "%s" ("terminate @ " ˆ !_context.myself_addr);
        Actor_utils.send ˜bar !_context.master_sock OK [||];
        Unix.sleep 1; (* FIXME: sleep ... *)
        failwith ("#" ˆ !_context.job_id ˆ " terminated")
      )
    | Load -> (
        Owl_log.info "%s" ("load " ˆ m.par.(0) ˆ " @ " ˆ !_context.
myself_addr);
        let path = Str.(split (regexp "://")) m.par.(0) in
        let b =
          match (List.nth path 0) with
          | "unix" -> Actor_storage.unix_load (List.nth path 1)
          | _ -> failwith "Load: unknown system!"
        in
        Actor_memory.add m.par.(1) [ b ];
        Actor_utils.send ˜bar !_context.master_sock OK [||]
      )

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Appendix F Actor System for Distributed Computing

| Save -> (

        Owl_log.info "%s" ("save " ˆ m.par.(0) ˆ " @ " ˆ !_context.
myself_addr);
        let path = Str.(split (regexp "://")) m.par.(0) in
        let c =
          match (List.nth path 0) with
          | "unix" -> Actor_storage.unix_save (List.nth path 1) (Actor_
memory.find m.par.(| _ -> failwith "Save: unknown system!"
        in
        Actor_utils.send ˜bar !_context.master_sock OK [|Marshal.to_
string c []|]
      )
    | _ -> (
        Owl_log.info "%s" ("Buffering " ˆ !_context.myself_addr ˆ " <- " ˆ
i ˆ " m.bar : "
        Hashtbl.add !_context.msbuf m.bar (i,m)
      )
  done with Failure e -> (
    Owl_log.warn "%s" e;
    ZMQ.Socket.(close !_context.master_sock; close !_context.myself_sock);
    Pervasives.exit 0 )

let init m context =

  _context := context;
  !_context.master_addr <- m.par.(0);
  (* connect to job master *)
  let master = ZMQ.Socket.create !_context.ztx ZMQ.Socket.dealer in
  ZMQ.Socket.set_send_high_water_mark master Actor_config.high_warter_mark;
  ZMQ.Socket.set_identity master !_context.myself_addr;
  ZMQ.Socket.connect master !_context.master_addr;
  Actor_utils.send master OK [|!_context.myself_addr|];
  !_context.master_sock <- master;
  (* enter into worker service loop *)
  service_loop ()

434
Appendix F Actor System for Distributed Computing

F.2 Parameter Server Engine

Interfaces

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Model Parallel: Parameter server module *)

open Actor_types

(* context type, duplicate from Actor_types *)

type param_context = Actor_types.param_context

type barrier =
  | ASP   (* Asynchronous Parallel *)
  | BSP   (* Bulk Synchronous Parallel *)
  | SSP   (* Stale Synchronous Parallel *)
  | PSP   (* Probabilistic Synchronous Parallel *)

(** core interfaces to parameter server *)

val start : ?barrier:barrier -> string -> string -> unit

(** start running the model loop *)

val register_barrier : ps_barrier_typ -> unit

(** register user-defined barrier function at p2p server *)

val register_schedule : ('a, 'b, 'c) ps_schedule_typ -> unit

(** register user-defined scheduler *)

val register_pull : ('a, 'b, 'c) ps_pull_typ -> unit

(** register user-defined pull function executed at master *)

val register_push : ('a, 'b, 'c) ps_push_typ -> unit

(** register user-defined push function executed at worker *)

val register_stop : ps_stop_typ -> unit

(** register stopping criterion function *)

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Appendix F Actor System for Distributed Computing

val get : 'a -> 'b * int

(** given a key, get its value and timestamp *)

val set : 'a -> 'b -> unit

(** given a key, set its value at master *)

val keys : unit -> 'a list

(** FIXME: reture all the keys in a parameter server *)

val worker_num : unit -> int

(** return the number of workders, only work at server side *)

Server

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Model Parallel: Parameter server module *)

open Actor_types

(* the global context: master, worker, etc. *)

let _context = ref (Actor_utils.empty_param_context ())

let _param : (Obj.t, Obj.t * int) Hashtbl.t = Hashtbl.create 1_000_000

(* default schedule function *)

let _default_schedule = fun _ -> [ ] (** TODO: fix scheduler ... *)

let _schedule = ref (Marshal.to_string _default_schedule [

Marshal.Closures ])

(* default pull function *)

let _default_pull = fun updates -> updates

let _pull = ref (Marshal.to_string _default_pull [ Marshal.Closures ])

(* default stopping function *)

let _default_stop = fun _ -> false

let _stop = ref (Marshal.to_string _default_stop [ Marshal.Closures ])

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Appendix F Actor System for Distributed Computing

(* default barrier function *)

let _default_barrier = Actor_barrier.param_bsp

let _barrier = ref (Marshal.to_string _default_barrier [

Marshal.Closures ])

let update_steps t w =
  let t' = Hashtbl.find !_context.worker_step w in
  match t > t' with
  | true -> (
    Hashtbl.replace !_context.worker_busy w 0;
    Hashtbl.replace !_context.worker_step w t;
    Hashtbl.add !_context.step_worker t w )
  | false -> ()

let _get k =
  let k' = Obj.repr k in
  let v, t = Hashtbl.find _param k' in
  Obj.obj v, t

let _set k v t =
  let k' = Obj.repr k in
  let v' = Obj.repr v in
  match Hashtbl.mem _param k' with
  | true -> Hashtbl.replace _param k' (v',t)
  | false -> Hashtbl.add _param k' (v',t)

let _broadcast_all t s =
StrMap.iter (fun _k v -> Actor_utils.send ˜bar:!_context.step v t s) !_
context.workers;
!_context.step

let terminate () =
let _ = _broadcast_all Terminate [||] in
Unix.sleep 1 (** FIXME: change to BSP *)

let service_loop () =
Owl_log.debug "parameter server @ %s" !_context.myself_addr;
(* unmarshal the schedule and pull functions *)

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Appendix F Actor System for Distributed Computing

let schedule : ('a, 'b, 'c) ps_schedule_typ = Marshal.from_string !_

schedule 0 in
  let pull : ('a, 'b, 'c) ps_pull_typ = Marshal.from_string !_pull 0 in
  let barrier : ps_barrier_typ = Marshal.from_string !_barrier 0 in
  let stop : ps_stop_typ = Marshal.from_string !_stop 0 in
  (* loop to process messages *)
  try while not (stop _context) do
    (* synchronisation barrier check *)
    let t, passed = barrier _context in !_context.step <- t;
    (* schecule the passed at every message arrival *)
    let tasks = schedule passed in
    List.iter (fun (worker, task) ->
      let w = StrMap.find worker !_context.workers in
      let s = Marshal.to_string task [] in
      let t = Hashtbl.find !_context.worker_step worker + 1 in
      let _ = Hashtbl.replace !_context.worker_busy worker 1 in
      Actor_utils.send ˜bar:t w PS_Schedule [|s|]
    ) tasks;
    if List.length tasks > 0 then
      Owl_log.debug "schedule t:%i -> %i workers" !_context.step (List.
length tasks);
    (** wait for another message arrival *)
    let i, m = Actor_utils.recv !_context.myself_sock in
    let t = m.bar in
    match m.typ with
    | PS_Get -> (
        Owl_log.debug "%s: ps_get" !_context.myself_addr;
        let k = Marshal.from_string m.par.(0) 0 in
        let v, t' = _get k in
        let s = to_msg t' OK [| Marshal.to_string v [] |] in
        ZMQ.Socket.send_all ˜block:false !_context.myself_sock [i;s]
      )
    | PS_Set -> (
        Owl_log.debug "%s: ps_set" !_context.myself_addr;
        let k = Marshal.from_string m.par.(0) 0 in

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Appendix F Actor System for Distributed Computing

let v = Marshal.from_string m.par.(1) 0 in

        _set k v t
      )
    | PS_Push -> (
        Owl_log.debug "%s: ps_push" !_context.myself_addr;
        let updates = Marshal.from_string m.par.(0) 0 |> pull in
        List.iter (fun (k,v) -> _set k v t) updates;
        update_steps t i
      )
    | _ -> Owl_log.debug "unknown mssage to PS"
  done with Failure e -> (
    Owl_log.warn "%s" e;
    terminate ();
    ZMQ.Socket.close !_context.myself_sock )

let init m context =

  _context := context;
  (* contact allocated actors to assign jobs *)
  let addrs = Marshal.from_string m.par.(0) 0 in
  List.map (fun x ->
    let req = ZMQ.Socket.create !_context.ztx ZMQ.Socket.req in
    ZMQ.Socket.connect req x;
    let app = Filename.basename Sys.argv.(0) in
    let arg = Marshal.to_string Sys.argv [] in
    Actor_utils.send req Job_Create [|!_context.myself_addr; app;
arg|]; req
  ) addrs
  |> List.iter ZMQ.Socket.close;
  (* wait until all the allocated actors register *)
  while (StrMap.cardinal !_context.workers) < (List.length addrs) do
    let _i, m = Actor_utils.recv !_context.myself_sock in
    let s = ZMQ.Socket.create !_context.ztx ZMQ.Socket.dealer in
    ZMQ.Socket.set_send_high_water_mark s Actor_config.high_warter_mark;
    ZMQ.Socket.connect s m.par.(0);
    !_context.workers <- (StrMap.add m.par.(0) s !_context.workers);
  done;

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Appendix F Actor System for Distributed Computing

(* initialise the step <--> work tables *)

  StrMap.iter (fun k _v ->
    Hashtbl.add !_context.worker_busy k 0;
    Hashtbl.add !_context.worker_step k 0;
    Hashtbl.add !_context.step_worker 0 k;
  ) !_context.workers;
  (* enter into master service loop *)
  service_loop ()

Client

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Model Parallel: Parameter client module *)

open Actor_types

(* the global context: master, worker, etc. *)

let _context = ref (Actor_utils.empty_param_context ())

(* default push function *)

let _default_push = fun _worker_id _vars -> []

let _push = ref (Marshal.to_string _default_push [ Marshal.Closures ])

let _get k =
  let k' = Marshal.to_string k [] in
  Actor_utils.send ˜bar:!_context.step !_context.master_sock PS_Get [|k'|];
  let m = of_msg (ZMQ.Socket.recv ˜block:true !_context.master_sock) in
  Marshal.from_string m.par.(0) 0, m.bar

let _set k v t =
  let k' = Marshal.to_string k [] in
  let v' = Marshal.to_string v [] in
  Actor_utils.send ˜bar:t !_context.master_sock PS_Set [|k'; v'|]

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Appendix F Actor System for Distributed Computing

let update_param x t =
  (* update multiple kvs, more efficient than set *)
  let x' = Marshal.to_string x [] in
  Actor_utils.send ˜bar:t !_context.master_sock PS_Push [|x'|]

let service_loop () =
  Owl_log.debug "parameter worker @ %s" !_context.myself_addr;
  (* unmarshal the push function *)
  let push : 'a -> ('b * 'c) list -> ('b * 'c) list = Marshal.from_string
!_push 0 in
  (* loop to process messages *)
  try while true do
    let _i, m = Actor_utils.recv !_context.myself_sock in
    let t = m.bar in
    match m.typ with
    | PS_Schedule -> (
        Owl_log.debug "%s: ps_schedule" !_context.myself_addr;
        !_context.step <- (if t > !_context.step then t else !_
context.step);
        let vars = Marshal.from_string m.par.(0) 0 in
        let updates = push !_context.myself_addr vars in
        update_param updates t
      )
    | Terminate -> (
        Owl_log.debug "%s: terminate"!_context.myself_addr;
        Actor_utils.send ˜bar:t !_context.master_sock OK [||];
        Unix.sleep 1; (* FIXME: sleep ... *)
        failwith ("#" ˆ !_context.job_id ˆ " terminated")
      )
    | _ -> ( Owl_log.debug "unknown mssage to PS" )
  done with Failure e -> (
    Owl_log.warn "%s" e;
    ZMQ.Socket.close !_context.myself_sock;
    Pervasives.exit 0 )

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Appendix F Actor System for Distributed Computing

let init m context =

F.3 Peer-to-Peer Engine

Interfaces

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Peer-to-Peer Parallel *)

open Actor_types

(** start running the model loop *)

val start : string -> string -> unit

(** register user-defined barrier function at p2p server *)

val register_barrier : p2p_barrier_typ -> unit

(** register user-defined pull function at p2p server *)

val register_pull : ('a, 'b) p2p_pull_typ -> unit

(** register user-defined scheduler at p2p client *)

val register_schedule : 'a p2p_schedule_typ -> unit

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Appendix F Actor System for Distributed Computing

(** register user-defined push function at p2p client *)

val register_push : ('a, 'b) p2p_push_typ -> unit

(** register stopping criterion function at p2p client *)

val register_stop : p2p_stop_typ -> unit

(** given a key, get its value and timestamp *)

val get : 'a -> 'b * int

(** given a key, set its value at master *)

val set : 'a -> 'b -> unit

Server

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Peer-to-Peer Parallel: Server module *)

open Actor_types

(* the global context: master, worker, etc. *)

let _context = ref (Actor_utils.empty_peer_context ())

let _param : (Obj.t, Obj.t * int) Hashtbl.t = Hashtbl.create 1_000_000

(* buffer of the requests and replies of pulling model parameters *)

let _plbuf : (Obj.t, Obj.t option) Hashtbl.t = Hashtbl.create 1_000

(* default pull function *)

let _default_pull _ updates = updates

let _pull = ref (Marshal.to_string _default_pull [ Marshal.Closures ])

(* default barrier function *)

let _default_barrier = fun _ -> true

let _barrier = ref (Marshal.to_string _default_barrier [

Marshal.Closures ])

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Appendix F Actor System for Distributed Computing

(* routing table module *)

module Route = struct

(* FIXME: given ONLY 30-bit address space *)

let _space = 2. ** 30. |> int_of_float

let hash x = Hashtbl.hash x

let distance x y = (x - y + _space) mod _space

let add addr sock =

if Hashtbl.mem !_context.spbuf addr = false then Hashtbl.add !_context.
spbuf addr 0;
!_context.workers <- (StrMap.add addr sock !_context.workers)

let exists addr = StrMap.mem addr !_context.workers

let connect addr =

    let sock = ZMQ.Socket.create !_context.ztx ZMQ.Socket.dealer in
    ZMQ.Socket.set_send_high_water_mark sock Actor_config.high_warter_mark;
    ZMQ.Socket.set_identity sock !_context.myself_addr;
    ZMQ.Socket.connect sock addr;
    sock

  let furthest x =
    let d = ref min_int in
    let n = ref "" in
    List.iteri (fun _i y ->
      let d' = distance (hash y) x in
      if d' > !d then ( d := d'; n := y )
    ) (StrMap.keys !_context.workers @ [!_context.myself_addr]);
    !n

  let furthest_exclude x l =
    let addrs = StrMap.keys !_context.workers @ [!_context.myself_addr]
      |> List.filter (fun x -> not (List.mem x l))
    in
    let d = ref min_int in
    let n = ref "" in

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Appendix F Actor System for Distributed Computing

List.iteri (fun _i y ->

      let d' = distance (hash y) x in
      if d' > !d then ( d := d'; n := y )
    ) addrs;
    !n

  let nearest x =
    let d = ref max_int in
    let n = ref "" in
    List.iteri (fun _i y ->
      let d' = distance (hash y) x in
      if d' < !d then ( d := d'; n := y )
    ) (StrMap.keys !_context.workers @ [!_context.myself_addr]);
    !n

  let nearest_exclude x l =
    let addrs = StrMap.keys !_context.workers @ [!_context.myself_addr]
      |> List.filter (fun x -> not (List.mem x l))
    in
    let d = ref max_int in
    let n = ref "" in
    List.iteri (fun _i y ->
      let d' = distance (hash y) x in
      if d' < !d then ( d := d'; n := y )
    ) addrs;
    !n

let forward nxt typ msg =

let s = StrMap.find nxt !_context.workers in
Actor_utils.send ˜bar:!_context.step s typ msg

let init_table addrs =

    (* contact initial random peers *)
    Array.iter (fun x ->
      let s = connect x in
      let _ = add x s in
      Actor_utils.send s P2P_Ping [|!_context.myself_addr|];
    ) addrs;
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Appendix F Actor System for Distributed Computing

(* contact nodes of fixed distance *)

    let myid = hash !_context.myself_addr in
    let _ = Array.init 30 (fun i ->
      let d = 2. ** (float_of_int i) |> int_of_float in
      let a = (myid + d) mod _space in
      let n = nearest_exclude a [!_context.myself_addr] in
      if String.length n <> 0 then
        let s = Marshal.to_string a [] in
        forward n P2P_Join [|!_context.myself_addr; s|]
    ) in ()

end

let _get k =
  let k' = Obj.repr k in
  let v, t = Hashtbl.find _param k' in
  Obj.obj v, t

let _set k v t =
  let k' = Obj.repr k in
  let v' = Obj.repr v in
  match Hashtbl.mem _param k' with
  | true -> Hashtbl.replace _param k' (v',t)
  | false -> Hashtbl.add _param k' (v',t)

  let _allocate_params x y =
  let x = Route.hash x in
  let y = Route.hash y in
  let l = ref [] in
  Hashtbl.iter (fun k v ->
    let h = Obj.obj k |> Route.hash in
    if (Route.distance y h) < (Route.distance x h) then l := !l @ [(k,v)]
  ) _param; !l

let _shall_deliver_pull () =
let ready = ref true in
Hashtbl.iter (fun _k v ->

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Appendix F Actor System for Distributed Computing

match v with Some _ -> () | None -> ready := false

  ) _plbuf;
  if !ready = true then (
    let s = Hashtbl.fold (fun _ v l ->
      match v with
      | Some v -> let k,v,_t = Obj.obj v in l @ [(k,v)]
      | None -> l
    ) _plbuf []
    in
    let s = Marshal.to_string s [] in
    Actor_utils.send !_context.master_sock OK [|s|];
    Hashtbl.reset _plbuf
  )

let _barrier_control barrier pull =

  let updates = List.map Obj.obj !_context.mpbuf in
  if barrier _context = true then (
    pull _context updates |> List.iter (fun (k,v,t) -> _set k v t);
    !_context.mpbuf <- [];
    if !_context.block = true then (
      Actor_utils.send ˜bar:!_context.step !_context.master_sock OK [||];
      !_context.block <- false
    )
  )

let _update_step_buf addr step =

  if Hashtbl.mem !_context.spbuf addr = true then (
    let step = max step (Hashtbl.find !_context.spbuf addr) in
    Hashtbl.replace !_context.spbuf addr step
  )
  else Hashtbl.add !_context.spbuf addr step

let _notify_peers_step () =
  List.iter (fun k ->
    Route.forward k P2P_Ping [|!_context.myself_addr|]
  ) (StrMap.keys !_context.workers)

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Appendix F Actor System for Distributed Computing

let _process_timeout () =
_notify_peers_step ();
Owl_log.debug "%s: timeout" !_context.myself_addr

let service_loop () =
  Owl_log.debug "%s: p2p server" !_context.myself_addr;
  let barrier : p2p_barrier_typ = Marshal.from_string !_barrier 0 in
  let pull : ('a, 'b) p2p_pull_typ = Marshal.from_string !_pull 0 in
  (* loop to process messages *)
  ZMQ.Socket.set_receive_timeout !_context.myself_sock (1 * 1000);
  try while true do
  (* first, wait and process arriving message *)
  try let i, m = Actor_utils.recv !_context.myself_sock in (
    match m.typ with
    | P2P_Connect -> (
        Owl_log.debug "%s: p2p_connect %s" !_context.myself_addr m.par.(0);
        let addr = m.par.(0) in
        !_context.master_addr <- addr;
        !_context.master_sock <- Route.connect addr
      )
    | P2P_Ping -> (
        Owl_log.debug "%s: p2p_ping %s" !_context.myself_addr m.par.(0);
        let addr = m.par.(0) in
        if Route.exists addr = false then Route.(connect addr |> add addr)
      )
    | P2P_Join -> (
        Owl_log.debug "%s: p2p_join %s" !_context.myself_addr m.par.(0);
        let src = m.par.(0) in
        let dst = Marshal.from_string m.par.(1) 0 in
        let next = Route.nearest_exclude dst [src] in
        if next = !_context.myself_addr then (
          if Route.exists src = false then (
            let s = Route.connect src in
            let _ = Route.add src s in
            Actor_utils.send s P2P_Ping [|!_context.myself_addr|]
          );

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Appendix F Actor System for Distributed Computing

(* oh, hello neighbour, maybe take my model *)

         if Route.hash src = dst - 1 then (
         let next = Route.furthest_exclude dst [src; !_context.myself_
addr] in
         if String.length next <> 0 then
           Route.forward next P2P_Ping [|src|];
           let h = _allocate_params !_context.myself_addr src in
           let s = Marshal.to_string h [] in
          Owl_log.debug "params: %s ===> %s size:%i" !_context.myself_
addr src
          (String.Route.forward src P2P_Copy [|s|]
         )
       );
        if next <> !_context.myself_addr && String.length next <> 0 then
          Route.forward next P2P_Join m.par;
      )
    | P2P_Copy -> (
         Owl_log.debug "%s: p2p_copy" !_context.myself_addr;
         let h = Marshal.from_string m.par.(0) 0 in
         List.iter (fun (k,v) ->
            match Hashtbl.mem _param k with
            | true -> Hashtbl.replace _param k v
            | false -> Hashtbl.add _param k v
        ) h
      )
    | P2P_Get -> (
        Owl_log.debug "%s: p2p_get" !_context.myself_addr;
        let k = Marshal.from_string m.par.(0) 0 in
        let next = Route.(hash k |> nearest) in
        match next = !_context.myself_addr with
        | true -> (
                (* FIXME: what if i cannot find the k *)
               let v, t = _get k in
               let s = Marshal.to_string (k, v, t) [] in
               Actor_utils.send !_context.master_sock OK [|s; next|]
          )
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Appendix F Actor System for Distributed Computing

| false -> Route.forward next P2P_Get_Q m.par

      )
    | P2P_Get_Q -> (
         Owl_log.debug "%s: p2p_get_q" !_context.myself_addr;
         let k = Marshal.from_string m.par.(0) 0 in
         let next = Route.(hash k |> nearest) in
         match next = !_context.myself_addr with
         | true -> (
            let v, t = _get k in
            let s = Marshal.to_string (k, v, t) [] in
            let addr = m.par.(1) in
            let next = Route.(hash addr |> nearest) in
            Route.forward next P2P_Get_R [|s; addr|]
            )
        | false -> Route.forward next P2P_Get_Q m.par
      )
    | P2P_Get_R -> (
        Owl_log.debug "%s: p2p_get_r" !_context.myself_addr;
        let addr = m.par.(1) in
        let next = Route.(hash addr |> nearest) in
        match next = !_context.myself_addr with
        | true -> Actor_utils.send !_context.master_sock OK m.par
        | false -> Route.forward next P2P_Get_R m.par
      )
    | P2P_Set -> (
        Owl_log.debug "%s: p2p_get" !_context.myself_addr;
        let k, v, t = Marshal.from_string m.par.(0) 0 in
        (* check whether this is from the local client *)
        let t = if t < 0 then (
          let s = Marshal.to_string (k, v, !_context.step) [] in
          m.par <- [|s|]; !_context.step
        ) else t
        in
        let next = Route.(hash k |> nearest) in
        match next = !_context.myself_addr with

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Appendix F Actor System for Distributed Computing

| true -> !_context.mpbuf <- !_context.mpbuf @ [Obj.repr (k, v, t)]

        | false -> Route.forward next P2P_Set m.par
      )
    | P2P_Push -> (
        Owl_log.debug "%s: p2p_push" !_context.myself_addr;
        Marshal.from_string m.par.(0) 0
        |> List.iter (fun (k,v) ->
           let next = Route.(hash k |> nearest) in
           match next = !_context.myself_addr with
           | true -> !_context.mpbuf <- !_context.mpbuf @ [Obj.repr (k, v,
!_context.step)]
           | false -> (
              let s = Marshal.to_string (k, v, !_context.step) [] in
              Route.forward next P2P_Set [|s|]
           )
        )
      )
    | P2P_Pull -> (
        Owl_log.debug "%s: p2p_pull" !_context.myself_addr;
        Marshal.from_string m.par.(0) 0
        |> List.iter (fun k ->
           let next = Route.(hash k |> nearest) in
           match next = !_context.myself_addr with
           | true -> (
               let v, t = _get k in
               Hashtbl.add _plbuf (Obj.repr k) (Some (Obj.repr (k,v,t)))
             )
           | false -> (
               let y = Marshal.to_string k [] in
               let s = [|y; !_context.myself_addr|] in
               Route.forward next P2P_Pull_Q s;
               Hashtbl.add _plbuf (Obj.repr k) None
           )
        );
        _shall_deliver_pull ()
      )
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Appendix F Actor System for Distributed Computing

| P2P_Pull_Q -> (

        Owl_log.debug "%s: p2p_pull_q %s" !_context.myself_addr m.par.(1);
        let k = Marshal.from_string m.par.(0) 0 in
        let next = Route.(hash k |> nearest) in
        match next = !_context.myself_addr with
        | true -> (
            let v, t = _get k in
            let s = Marshal.to_string (k, v, t) [] in
            let addr = m.par.(1) in
            let next = Route.(hash addr |> nearest) in
             Route.forward next P2P_Pull_R [|s; addr|]
          )
        | false -> Route.forward next P2P_Pull_Q m.par
      )
    | P2P_Pull_R -> (
        Owl_log.debug "%s: p2p_pull_r %s" !_context.myself_addr m.par.(1);
        let addr = m.par.(1) in
        let next = Route.(hash addr |> nearest) in
        match next = !_context.myself_addr with
        | true -> (
            let k, v, t = Marshal.from_string m.par.(0) 0 in
            Hashtbl.replace _plbuf (Obj.repr k) (Some (Obj.repr (k,v,t)));
            _shall_deliver_pull ()
          )
        | false -> Route.forward next P2P_Pull_R m.par
      )
    | P2P_Bar -> (
        Owl_log.debug "%s: p2p_bar" !_context.myself_addr;
        !_context.block <- true;
        !_context.step <- !_context.step + 1;
        _notify_peers_step ();
      )
    | _ -> Owl_log.error "unknown mssage type"
    );

452
Appendix F Actor System for Distributed Computing

(* second, update the piggybacked step *)

    if i <> !_context.master_addr then _update_step_buf i m.bar;
    (* third, check the barrier control *)
    _barrier_control barrier pull;
    (* fourth, in case the process hangs *)
    with Unix.Unix_error (_,_,_) -> _process_timeout ()
  done with Failure e -> (
    Owl_log.warn "%s" e;
    ZMQ.Socket.close !_context.myself_sock )

let init m context =

    _context := context;
    (* contact allocated peers to join the swarm *)
    Marshal.from_string m.par.(0) 0 |> Route.init_table;
    (* enter into server service loop *)
    service_loop ()

Client

(*
* Actor - Parallel & Distributed Engine of Owl System
* Copyright (c) 2016-2018 Liang Wang <[email protected]>
*)

(* Peer-to-Peer Parallel: Client module *)

open Actor_types

(* the global context: master, worker, etc. *)

let _context = ref (Actor_utils.empty_peer_context ())

(* default schedule function *)

let _default_schedule = fun _ -> [ ]

let _schedule = ref (Marshal.to_string _default_schedule [

Marshal.Closures ])

(* default push function *)

let _default_push = fun _ _ -> []

let _push = ref (Marshal.to_string _default_push [ Marshal.Closures ])

453
Appendix F Actor System for Distributed Computing

(* default stopping function *)

let _default_stop = fun _ -> false

let _stop = ref (Marshal.to_string _default_stop [ Marshal.Closures ])

let _get k =
  let k = Marshal.to_string k [] in
  let s = [|k; !_context.master_addr|] in
  Actor_utils.send !_context.master_sock P2P_Get s;
  let _, m = Actor_utils.recv !_context.myself_sock in
  let _k, v, t = Marshal.from_string m.par.(0) 0 in
  v, t

let _set k v =
let s = Marshal.to_string (k, v, -1) [] in
Actor_utils.send !_context.master_sock P2P_Set [|s|]

let _push_model params =

let s = Marshal.to_string params [] in
Actor_utils.send !_context.master_sock P2P_Push [|s|]

let _pull_model params =

List.map (fun k -> let v, _ = _get k in (k,v)) params

let _pull_model_batch params =

  let s = Marshal.to_string params [] in
  Actor_utils.send !_context.master_sock P2P_Pull [|s|];
  let _, m = Actor_utils.recv !_context.myself_sock in
  let kvs = Marshal.from_string m.par.(0) 0 in
  kvs

let _barrier () =
  Actor_utils.send !_context.master_sock P2P_Bar [||];
  let _, m = Actor_utils.recv !_context.myself_sock in
  !_context.step <- m.bar

let service_loop () =
  Owl_log.debug "p2p_client @ %s" !_context.master_addr;
  (* unmarshal the schedule and push function *)
  let schedule : 'a p2p_schedule_typ = Marshal.from_string !_schedule 0 in
454
Appendix F Actor System for Distributed Computing

let push : ('a, 'b) p2p_push_typ = Marshal.from_string !_push 0 in

  let stop : p2p_stop_typ = Marshal.from_string !_stop 0 in
  (* loop to process messages *)
  try while not (stop _context) do
    schedule _context
    |> _pull_model
    |> push _context
    |> _push_model
    |> _barrier
  done with Failure e -> (
    Owl_log.warn "%s" e;
    ZMQ.Socket.close !_context.myself_sock;
    Pervasives.exit 0 )

let init _m context =

  _context := context;
  (* re-initialise since it is a new process *)
  !_context.ztx <- ZMQ.Context.create ();
  !_context.master_addr <- context.myself_addr;
  let _addr, _router = Actor_utils.bind_available_addr !_context.ztx in
  !_context.myself_addr <- _addr;
  !_context.myself_sock <- _router;
  (* set up local p2p server <-> client *)
  let sock = ZMQ.Socket.create !_context.ztx ZMQ.Socket.dealer in
  ZMQ.Socket.set_send_high_water_mark sock Actor_config.high_warter_mark;
  ZMQ.Socket.set_identity sock !_context.myself_addr;
  ZMQ.Socket.connect sock !_context.master_addr;
  !_context.master_sock <- sock;
  Actor_utils.send !_context.master_sock P2P_Connect [|!_context.
myself_addr|];
  (* enter into client service loop *)
  service_loop ()

455
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463
Index
A graph converter, 358, 359, 361
graph utility, 80, 81
Activation function, 126, 127, 131
lazy expression, 78
Actor distributed engine
module design, 79
barrier control methods, 252–256
Ndarray module, 81–84
composing, OWl, 249, 250
operations, 61, 62
definition, 245
operator building, 325–334, 336–352
framework, 249
operators
map-reduce, 245, 246
Mat, 63
parameter server module, 246, 248
rules, 63–65, 68
synchronization methods, 254
SISO, 66, 69
Actor system
perturbation confusion/tag, 76, 77
MapReduce engine, 423–428, 430–434
Amazon Lambda, 234
parameter server engine, 435–442
Arithmetic Logic Unit (ALU), 15
peer-to-peer engine, 442–455
Arr.add_ function, 303
Adagrad and RMSprop methods, 93
Artificial Intelligence (AI), 1, 191, 233
Adagrad method, 91
Asynchronous barrier method, 265
Adam optimizer, 92
Asynchronous Parallel (ASP), 253
add_node function, 128
Automated Empirical Optimization of
add_scalar function, 154
Software (AEOS), 42–47
adjoint function, 72
adjval function, 73
alcotest framework, 281, 291 B
Algodiff.gradhessian function, 98
backward function, 132
Algodiff module, 51, 107, 109, 155, 156
Barrier control mechanisms, 245, 252,
Algorithmic differentiation (AD), 5, 51
260, 263
Algodiff module, 51, 52
Basic Linear Algebra Subprograms
APIs, 70, 72, 73, 75
(BLAS), 293
computation, 53
Batch module, 100
core modules, 352–356, 358
Bigarray module, 9, 218
data types, 53, 58–60
Builder module, 83
definition, 49
Bulk Synchronous Parallel (BSP), 253, 262
forward/reverse modes, 54–58
465
© Liang Wang, Jianxin Zhao 2023
L. Wang and J. Zhao, Architecture of Advanced Numerical Analysis Systems,
https://doi.org/10.1007/978-1-4842-8853-5
INDEX

C Zoo system, design

development, 235
Cache optimization
DSL, 237, 238
loop alignment, 30
service, 236
loop merging, 29
service discovery, 238
matrix multiplication, 28
type checking, 236, 237
tiling, 28
Compressed Sparse
CGCompiler.model function, 159
Column (CSC), 10
CGCompiler.Neural module, 159
Compressed Sparse Row (CSR) format, 10
CGraph module, 153, 155, 188
Computation graph
Checkpoint module, 101
algorithmic differentiation process,
Classic numerical analytics
CGraph, 155–157
methods, 5
benefits, 152
Compiler backends
CGraph memory optimization,
base library, 215–217
DNN, 187
core function stack, 216
DAG, 149
fold operation, 226
definition, 149
gradient descent, 227
design
JavaScript, 217, 225
CGraph stack, 161
MirageOS
computing device, 163, 164, 166
gradient descent, 221, 223
computing engine, 180–182
neural network, 224
engine functor, 162
unikernels, 221
functor stack, Owl, 160
size of executables, 228
linking nodes, creating, 169–172
Composition/deployment
Ndarray, 161
microservices architecture, 233
operation types, 166
ML-based data analytics, 234
optimization, 173, 175–177, 179, 180
ML-model based prediction, 234
principles, 160
ML services, 240
shape inference function, 167–169
modularity, 233
DNN, 158, 159
NST, 238
dynamic graph, 150, 151
serverless computing, 234
function, 150
session types, 240
machine learning framework, 152
Zoo, script sharing
math function, 157
designing Owl, 229
memory allocation, 188
example, 230
memory usage, 183–186
Python, 229
numerical operation, 153, 154
version control, 231, 232
static graph, 151
Zoo system architecture, 235
466
INDEX

Computation optimization, 26, See also Deep Neural Networks (DNNs), 2, 227
Optimization compiler, 133–136, 138
Computer algebra system, 194 framework, 121
Computing method, 17 functionalities, 121
Configuration module, 143 networks, 127–129
configure.ml, 222 neurons, 123
Conjugate gradient (CG) method, 96, 97 Object detection (see Object detection)
Const method, 91 training, 130–132
Conv2D neuron, 128 df function, 63
Convolution algorithm, 32 df cp ap at function, 67
AVX intrinsics, 40 Differential equation, 3, 5, 49, 293,
category, 32 298, 299
definition, 32 Differentiation
GEMM routines, 42 AD, 51
im2col implementation, 37 definition, 49
implementation code, 33, 35 numerical, 50
input/kernel matrices, 39 symbolic, 50
memory usage, 36 variables, 49
OpenBLAS, 35, 36 diff function, 52, 222
SIMD intrinsics, 38 Directed acyclic graph (DAG), 5, 149, 184
types, 33 Distributed computing, 7
Core optimizations convergence analysis
instruction-level parallelism, 17 barrier control system, 264
interface Ocaml to C, 12–14 PSP sampling primitive, 266–268
limited computing time, 15 shared model, 264
memory, 21 experiment setup, 269
N-dimensional array, 9–11 machine learning, 243, 244
processor parallelism, 16 sampling primitive, 278
quad-core CPU, 15, 16 sampling size affects, 275–278
SIMD, 17 system progress, 272, 273
cpuid instruction, 22 system stragglers, 274, 275
create function, 124 trained model accuracy, 270–272
Cross-entropy loss, 113, 117 Distributed Hash Table (DHT), 268
Distributed training system
analytical model, 258
D BSP/ASP, 256
“Deep” function, 61 compatibility, 260–264
Deep learning compiler, 193 consistency, 256

467
INDEX

Distributed training system (cont.) gd_owl.ml, 222

decoupling consistency/ Generative Adversarial Network
synchronization, 259 (GAN), 239
design space, 257 Generic module, 306
learning algorithm, 256 get_network function, 129
PSP, 259, 260 grad function, 73
SSP, 257 Gradient module, 94
Domain-specific languages (DSL), 150, Gradient descent algorithm
165, 234, 237–238 CG, 96, 97
dr function, 68 epochs, 111
function, 109
Himmelblau function, 110
E implementation, 106
Eigen library, 33 iterate, 107, 108
Elastic_net method, 118 methods, 94, 96
ENABLE_OPENMP flag, 45 newton’s method, 98
Euler-Mascheroni constant, 315 Gradient descent method, 88, 89, 96, 109,
eval_gen function, 181 111, 222
_eval_terms function, 181 Graph.backward function, 138
Graphics Processing Unit (GPU), 6, 161,
163–166, 191, 192, 215, 244
F Graph.train function, 134
Fast Fourier transform (FFT), 14, 296, 298
Fast R-CNN approach, 140
“Feature maps”, 141, 143–145 H
Federated Learning, 244, 245, 253, Himmelblau function, 110
269, 274 Horovod framework, 244
fft function, 297
“float32_sin”, 12
foreign function, 223
I
forward function, 131 im2col algorithm, 33
Full-fledged numerical library, 3 infer function, 224
functor stack, 153, 160, 161, 215–217 infer_shape function, 201
Instance segmentation, 138–140
Instruction-level parallelism (ILP), 17
G Intel Xeon Phi processor, 21
Garbage collector (GC), 162, 183 Intermediate representation (IR), 6,
Gaussian distribution, 124, 295 193, 194

468
INDEX

J, K batch module, 100

checkpoint module, 101–103
JavaScript
components
edge devices, 217
learning rate, 90–93
Facebook reason leverages, 220
submodules, 89, 90
native Ocaml, 218, 219
definition, 87
js_of_ocaml command, 218
gradient descent method, 88
Js_of_ocaml, 218
momentum, 98
Just-in-time compilation (JIT), 151
params submodules, 104, 106
problem, 87
L Math Kernel Library (MKL), 14, 42
LaTeX engine, 208–210 Maths.sin function, 219
Learning_rate module, 90 Matrix Multiply Unit (MXU), 192
Linear algebra, 293, 294 MaxPool operation, 201
Linear Algebra Package (LAPACK) Memory
interfaces, 293 cache, 21–23
_linear_reg function, 114 categories, 21
Linear regression models, 112 definition, 21
Loop alignment technique, 30 NUMA, 25
L2norm regularization function, 118 prefetching, 24, 25
register, 21
Memory hierarchy, 20, 21
M Metric systems and constants
M2.train function, 250 four metrics, 311, 312
Machine learning (ML), 2, 50, 90, 233, 243 International System of
Make function, 153 Units, 316–323
make_node function, 128, 200 math constants, 315
make_reverse function, 71 physical constants, 313, 314
make_then_connect function, 171 SI module, 316
map and fold operations, 225 well-defined metric system, 311
MapReduce programming model, 245 minimise_fun function, 110
MapReduce engine, 249 minimise_network function, 131
Mask Region-based Convolutional Neural mirage build command, 223
Network (MR-CNN), 139 Mirage module, 223
Mat, 63 MirageOS, 3
Mathematical operations, 11, 32, 43, 161, Model.detect function, 147
197, 293 Momentum mechanism, 98
Mathematical optimization Monolithic software application, 233

469
INDEX

Mul operation, 150 language, 8

Multivariate function, 73, 75 numerical library, 2
system, 4
Numerical differentiation, 50, 51
N NumPy, 2, 4, 9, 12, 193, 205
Ndarray functions, 304
Ndarray module, 4, 5, 9, 11, 47, 81, 82, 85,
153, 215–217, 249, 303 O
N-dimensional array (ndarray), 4 Object detection
Nesterov Accelerated Gradient (Nesterov) definition, 138
method, 100 MRCNN, 139, 141–145, 147
Neural network compiler module, network architecture
122, 133–138 R-CNN, 140, 141
Neural network model, 202, 206 OCaml-based distributed computing
Neural network module engine, 7, 243
graph, 363–376, 378–385 OCaml-MirageOS applications, 225
neuron, 386–422 OCaml’s lazy evaluation mechanism, 77
Neural networks, 6, 51, 58, 77, 88, 192, 215 of_symbolic function, 204
Neural Style Transfer ONNX engine
(NST) algorithm, 238 example, 205
Neurons ModelProto, 203
activation module, 126, 127 neural network, 206–208
core function, 124–126 neural network model, 202
definition, 123 OCaml types/serialization
newton function, 75 function, 203
Newton’s method, 75, 98 variable initialization, 205, 206
Nonlinearity, 126 OpenLambda, 234
Non-uniform memory access Open Multi-Processing (OpenMP),
(NUMA), 25–26 26, 43, 45
Numerical applications, 1, 5, 220 Open Neural Network Exchange (ONNX)
Numerical computing, OCaml format, 193, 202
architecture Optimise module, 89, 106, 109, 114, 130
advanced design, Owl, 5, 6 Optimiser functor, 173
hardware/depolyment, 6 Optimiser module, 118
Owl, 4, 5 _optimise_term function, 173
subsystem, 3 Optimization
system programming, 3 AEOS, 42, 43, 45, 47
Zoo subsystem, 7 convolution, 32

470
INDEX

definition, 26 Performance accelerators

methods, 119 design
techniques engines, 202
cache optimization, 27 naming scheme, 200
hardware parallelization, 26, 27 ONNX, 197
unrolling, 31 operator, 199
Ordinary differential equation (ODE), 3, Owl_symbolic_symbol.t type,
5, 298–301 197, 198
Owl_algodiff_generic.Make functor, 82 shape inference, 200, 201
Owl_algodiff_primal_ops module, 81 symbol, 196
Owl_algodiff_primal_ops.D module, 82 symbolic graph, 195, 196
Owl_base_algodiff_primal_ops GPU, 193
module, 215 hardware, 191, 192, 212
Owl_cblas module, 294 IR, 194
Owl_computation_optimiser ONNX, 193
functor, 173 symbolic system, 194
Owl_computation_shape functor, 167 Polynomial regression, 116, 118
Owl_computation_type functor, 166 POSIX threads/Pthreads, 20
Owl engine, 210–212 printf function, 78
Owl_graph module, 170, 171 Probabilistic Synchronous Parallel
Owl_lapacke_generated module, 294 (PSP), 254
Owl_neural_compiler functor, 133 Pyramid Network classifier, 146
owl-ode library, 301
owl_symbolic library, 194
owl-upload command, 230 R
owl-zoo library, 231 Region Proposal Network (RPN), 141
register function, 60
register_* functions, 248
P, Q Regression
package parameter, 223 definition, 111
Parallel computing, 4, 7, 15, 17, 30, 252 features/predictors, 111
Parameter server module, 246 implementation, 113–115
Parameter servers linear, 112
(PS), 243, 248, 252, 268 loss, 112
pattern_* functions, 173 types, 116, 117
pattern_002 function, 179 reverse function, 52
Peer-to-peer approach, 244 RMSprop method, 92
Peer-to-peer (p2p) engine, 245 run function, 95

471
INDEX

S Test-driven development, 281

Testing
Scientific computing, 1, 2, 4, 6, 28, 153, 217
alcotest, example, 282–286
SciPy, 2, 301
corner cases, 287, 288
Semantic segmentation, 139, 141
functors, 291
Service discovery mechanism, 238
performance tests, 289, 290
sess.run command, 205
test coverage, 288
Shared memory multiprocessing
unit, 281
programming, 26, 252
use functor, 288, 289
Signal processing, 1, 3, 5, 9, 296–298
Tiling, 28
SIMD-oriented Fast Mersenne Twister
to_string function, 94
(SFMT) generator, 296
to_string method, 103
“Single-input-single-output” (SISO), 66, 69
To_test module, 282
Single instruction multiple data (SIMD),
train_generic function, 130
15, 17–19, 27, 31, 38, 40, 191, 296
Software system, 1, 3, 303
sqr_magic function, 230 U
Stale Synchronous Parallel (SSP), 254 Unconstrained optimization, 87
Statistical distributions, 295–296 Unit test, 281, 285, 288
Stochastic gradient descent (SGD), 243, unpack_arr or unpack_elt function, 154
244, 246, 253
StreamExecutor, 193
Superscalar, 17 V, W, X, Y
Symbolic differentiation, 50, 51, 55 Vectorization
System conventions AVX instructions, 18
Dense module, 305, 306 memory, 20
infix operators, 307, 309 multicore processor, 20
Ndarray vs. scalar, 304 SIMD, 18
pure vs. impure, 303 switching context, 19
Vector Processing Unit (VPU), 192
Visualization function, 80
T Von Neumann architecture, 21
tangent function, 70
tanh function, 53
TensorFlow, 6, 151 Z
Tensor Processing Unit (TPU), 6, 192 zero function, 62

472

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Architecture of Advanced Numerical Analysis System

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Architecture of Advanced Numerical Analysis System

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Architecture of

Liang Wang Jianxin Zhao

ISBN-13 (pbk): 978-1-4842-8852-8 ISBN-13 (electronic): 978-1-4842-8853-5

Copyright © 2023 by Liang Wang, Jianxin Zhao

Chapter 2: Core Optimizations���������������������������������������������������������������������������������� 9

Chapter 3: Algorithmic Differentiation�������������������������������������������������������������������� 49

Chapter 4: Mathematical Optimization������������������������������������������������������������������� 87

Chapter 5: Deep Neural Networks������������������������������������������������������������������������ 121

Chapter 6: Computation Graph����������������������������������������������������������������������������� 149

Chapter 7: Performance Accelerators������������������������������������������������������������������ 191

Chapter 8: Compiler Backends����������������������������������������������������������������������������� 215

Chapter 9: Composition and Deployment������������������������������������������������������������� 229

Chapter 10: Distributed Computing���������������������������������������������������������������������� 243

Chapter 11: Testing Framework��������������������������������������������������������������������������� 281

Appendix A: Basic Analytics Examples���������������������������������������������������������������� 293

Appendix B: System Conventions������������������������������������������������������������������������� 303

Appendix C: Metric Systems and Constants��������������������������������������������������������� 311

Appendix D: Algodiff Module�������������������������������������������������������������������������������� 325

Appendix E: Neural Network Module�������������������������������������������������������������������� 363

Appendix F: Actor System for Distributed Computing������������������������������������������ 423

Jianxin Zhao is a PhD graduate from the University of

1.1 Numerical Computing in OCaml

• We can write functional code as concise as that in Python with

• OCaml code often has much superior performance compared to

• Core modules contain basic data structures, namely, the

• Classic analytics contains basic mathematical and statistical

• Advanced analytics, such as algorithmic differentiation, optimization,

• Service composition and deployment to multiple backends such as to

Basic Computing and Analytics with Owl

Advanced Design in Owl

Hardware and Deployment

barriers. We introduce four different types of synchronization methods or “barriers”

2.1 N-Dimensional Array in Owl

type ('a, 'b) t = ('a, 'b, c_layout) Genarray.t

type ('a, 'b) kind =

type ('a, 'b) t =

let x = Dense.Ndarray.S.ones [|2;3|];;

• Creation functions that generate dense data structures, such as

• Mathematical operations. Many of them can be categorized into

• Slicing operation that extracts part of an ndarray or a matrix

• Other calculation or manipulation functions: comparison, tile or

It is always a good idea to push the performance of these operations forward,

let _owl_sin : type a b. (a, b) kind -> int ->

This function serves as an entrance to implementations of different sine functions.

external owl_float32_sin : int

CAMLprim value FUN4(value vN, value vX, value vY)

struct caml_ba_array *X = Caml_ba_array_val(vX);

caml_release_runtime_system(); /* Allow other threads */

while (start_x != stop_x) {

caml_acquire_runtime_system(); /* Disallow other threads */

#define FUN4 float32_sin

Here, we specify a function of name float32_sin that uses the aforementioned

Implementing the core code enables multiple optimization opportunities:

2.3 Core Optimization of Computation

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Figure 2-1. Architectural illustration of a quad-core CPU

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Figure 2-2. Processor parallelism: multiple fetch and decode modules

CPU Support of Parallel Computing

(a) Scalar operation (b) SIMD operation

Figure 2-3. Comparison of computing conventional and SIMD

SIMD is now widely supported on various hardware architectures. Back in 1996,

int main(int argc, char* argv[]) {

Figure 2-4. Switching context based on hardware threads to hide latency

Figure 2-5. Memory hierarchy

void query_cache_sizes(int* 11p, int* 12p, int* 13p) {

OWL_INLINE void query_cache_sizes_intel(int* 11p, int* 12p, int* 13p) {

int cache_size = (ways + 1) * (partitions + 1)

if (11 == 0) 11 = 32 * 1024;

*11p = 11; *12p = 12; *13p = 13;

Chapter 2: Core Optimizations�� 9

Chapter 3: Algorithmic Differentiation�� 49

Chapter 4: Mathematical Optimization�� 87

Chapter 5: Deep Neural Networks�� 121

Chapter 6: Computation Graph�� 149

Chapter 7: Performance Accelerators�� 191

Chapter 8: Compiler Backends�� 215

Chapter 9: Composition and Deployment�� 229

Chapter 10: Distributed Computing�� 243

Chapter 11: Testing Framework�� 281

Appendix A: Basic Analytics Examples�� 293

Appendix B: System Conventions�� 303

Appendix C: Metric Systems and Constants�� 311

Appendix D: Algodiff Module�� 325

Appendix E: Neural Network Module�� 363

Appendix F: Actor System for Distributed Computing�� 423

1.1 Numerical Computing in OCaml

Basic Computing and Analytics with Owl

Advanced Design in Owl

Hardware and Deployment

2.1 N-Dimensional Array in Owl

2.3 Core Optimization of Computation

)HWFK )HWFK )HWFK )HWFK )HWFK )HWFK )HWFK )HWFK

/&DFKH /&DFKH /&DFKH /&DFKH

/&DFKH /&DFKH /&DFKH /&DFKH

)HWFK )HWFK )HWFK

CPU Support of Parallel Computing

11p = 11; 12p = 12; *13p = 13;

TYPE inpt2d = (TYPE ) calloc(mat_size, sizeof(TYPE));

2.6 Automated Empirical Optimization of Software

Three Ways of Differentiating

Architecture of Algodiff Module

Forward and Reverse Modes

y ( x 0 ,x1 ) = ( sin x 0 x1 ) (3.3)