HMMs and Tensor Networks
HMMs and Tensor Networks
Markov Models
Abstract
In this paper, we propose circular Hidden Quantum Markov Models (c-
HQMMs), which can be applied for modeling temporal data in quantum
datasets (with classical datasets as a special case). We show that c-HQMMs
are equivalent to a constrained tensor network (more precisely, circular
Local Purified State with positive-semidefinite decomposition) model. This
equivalence enables us to provide an efficient learning model for c-HQMMs.
The proposed learning approach is evaluated on six real datasets and demon-
strates the advantage of c-HQMMs on multiple datasets as compared to
HQMMs, circular HMMs, and HMMs.
1 Introduction
Hidden Markov Models (HMMs) are commonly used for modeling temporal data, usually,
in cases where the underlying probability distribution is unknown, but certain output
observations are known [Rabiner and Juang, 1986, Zucchini and MacDonald, 2009]. Hidden
Quantum Markov Models (HQMMs) [Monras et al., 2010, Clark et al., 2015] can be thought
of a reformulation of HMMs in the language of quantum systems (see section 2 for the formal
definition). It has been shown that quantum formalism allows for more efficient description
of a given stochastic process as compared to the classical case [Monras et al., 2010, Clark
et al., 2015, Adhikary et al., 2021]. In this paper, we propose circular HQMMs, and validate
them to be more efficient than HQMMs.
We note that circular HMMs (c-HMMs) have been proposed to model HMMs, where the
initial and terminal hidden states are connected through the state transition probability
[Arica and Vural, 2000]. c-HMMs have found application in speech recognition [Zheng
and Yuan, 1988, Shahin, 2006], biology and meteorology [Holzmann et al., 2006], shape
recognition [Arica and Vural, 2000, Cai et al., 2007], biomedical engineering [Coast et al.,
1990], among others. Given the improved performance of c-HMMs as compared to HMMs, it
remains open if such an extension can be done for HQMMs, which is the focus of this paper.
Even though multiple algorithms for learning HQMMs have been studied, direct learning of
the model parameters is inefficient and ends up to poor local-optimal points [Adhikary et al.,
2020]. In order to deal with this challenge, a tensor network based approach is used to learn
HQMMs [Adhikary et al., 2021], based on a result that HQMM is equivalent to uniform
locally purified states (LPS) tensor network. The model in [Adhikary et al., 2021] deals
with infinite horizon HQMM, which involves uniform Kraus operators and thus uniform
LPS. In this paper, we model a finite sequence of random variables, which allows us to have
different Kraus operators at each time instant. We further extend the finite-horizon HQMMs
to circular HQMMs (c-HQMMs).
35th Conference on Neural Information Processing Systems (NeurIPS 2021), Sydney, Australia.
In order to train the parameters of the c-HQMM, we show the equivalence of c-HQMM with
a restricted class of tensor networks. In order to do that, we first define a class of tensor
networks, called circular LPS (c-LPS). Then, we show that c-HQMM is equivalent to c-LPS
where certain matrices formed from the decomposition are positive semi-definite (p.s.d.).
Finally, we propose an algorithm to train c-LPS with p.s.d. restrictions, thus providing an
efficient algorithm for learning c-HQMMs.
The results in this paper show equivalence of finite-horizon HQMMs and c-HQMMs to the
corresponding tensor networks. Further, we show that c-HMM is equivalent to a class of
tensor networks (circular Matrix Product State (c-MPS)) with non-negative real entries.
This allows for an alternate approach of learning c-HMMs, and may be of independent
interest. The key contributions of this work are summarized as follows:
• We propose c-HQMM for modeling finite-horizon temporal data.
• We show that c-HQMMs are equivalent to c-LPS tensor networks with positive semi-definite
matrix structure in the decomposition. Further, equivalent tensor structures for finite horizon
HQMMs and c-HMMs are also provided.
• Learning algorithm for c-HQMM is provided using the tensor network equivalence.
In order to validate the proposed framework of c-HQMM and the proposed learning algorithm,
we compare with standard HMMs (equivalent to MPS with non-negative real entries in
decomposition), c-HMMs, and HQMMs. Evaluation on realistic datasets demonstrate the
improved performance of c-HQMMs for modeling temporal data.
1
Finite horizon implies that N is finite, and thus the distributions can depend on the time-index.
This paper focuses on finite horizon probability distributions.
2
AN
A1 A2 AN-1 A1 A2 AN -1
Markov process (Latent) : X1 X2 ··· XN Markov process (Latent) : X1 X2 ··· XN
C1 C2 CN C1 C2 CN
(a) Representation of an HMM with observation (b) Representation of a c-HMM with observation
variables Oi , latent variables Xi , transition ma- variables Oi , latent variables Xi , transition ma-
trices Ai , and emission matrices Ci . trices Ai , and emission matrices Ci .
Figure 1: Hidden Markov Model and Cyclic Hidden Markov Model.
Hidden Quantum Markov Model (HQMM) was introduced in [Monras et al., 2010] to model
evolution from one quantum state to another, while generating classical output symbols.
To produce an output symbol, a measurement or Kraus operation [Kraus et al., 1983] is
performed on the internal state of the machine. To implement a Kraus operation, one can
use an auxiliary quantum system, called ancilla. In every time step, the internal state of
the HQMM interacts with its ancilla, which is then read out by a projective measurement.
After every measurement, the ancilla is reset into its initial state, while the internal state
of the HQMM remains hidden [Clark et al., 2015]. As in the classical case, an HQMM
can be composed by the repeated application of the quantum sum rule (plays the role of
transition matrices in HMMs) and quantum Bayes rule (plays the role of emission matrices
in HMMs) [Adhikary et al., 2019] encoded using the sets of Kraus operators {Kt,w } and
{Kt,x }, respectively, for t ∈ {1, · · · , N }:
†
X
ρ0t = Kt,w ρt−1 Kt,w (quantum sum rule)
w
We can condense these two expressions into a single term for a given observation x by setting
Kt,x,w = Kt,x Kt,w , for t = 1, · · · , N :
P †
w Kt,x,w ρt−1 Kt,x,w
ρt = †
(state update rule)
)
P
tr( w Kt,x,w ρt−1 Kt,x,w
We now formally define HQMMs using the Kraus operator-sum representation (the definition
is modified from [Adhikary et al., 2020] to account for finite N ).
Definition 1 (HQMM). An N-horizon d-dimensional Hidden Quantum Markov Model with
a set of discrete observations O is a tuple (Cd×d , {Ki,x,wx }), where the initial state ρ0 ∈ Cd×d
and the Kraus operators {Ki,x,wx } ∈ Cd×d , for all x ∈ O, i ∈ {1, · · · , N }, wx ∈ N, satisfy the
following constraints:
• ρ0 is a density matrix of arbitrary rank, and
• the full set of Kraus operators across all observables provide a quantum operation,2 i.e.,
†
x,wx Ki,x,wx Ki,x,wx = I for all i ∈ {1, · · · , N }.
P
where I~T , ρ~0 indicate vectorization (column-first convention) of identity matrix and ρ0 ,
respectively. This model is illustrated in Figure (3a).
2
P † P †
P †
If w Kw Kw = I, then K = w Kw ρKw is called a quantum channel. However, if w
Kw Kw <
I, then K is called a stochastic quantum operation.
3
This representation was used in [Srinivasan et al., 2018] to show that any d dimensional
HMM can be simulated as an equivalent d2 dimensional HQMM [Srinivasan et al., 2018,
Algorithm 1].
HQMMs enable us to generate more complex random output sequences than HMMs, even
when using the same number of internal states [Clark et al., 2015, Srinivasan et al., 2018].
In other words, HQMMs are strictly more expressive than classical HMMs [Adhikary et al.,
2021].
Tensor Network is a set of tensors (high-dimensional arrays), where some or all of its indices
are contracted according to some pattern [Oseledets, 2011, Orús, 2014]. They have been used
in the study of many-body quantum systems [Orús, 2019, Montangero et al., 2018]. Further,
they have been adopted for supervised learning in large-scale machine learning [Stoudenmire
and Schwab, 2016, Wang et al., 2017, 2018]. Some of the classes of tensor networks we use
in this work include variants of Matrix Product States (MPSs) and Locally Purified States
(LPSs).
One class of tensor networks is Matrix Product State (MPS), where an order-N tensor
Td×···×d , with rank r has entry (x1 , · · · , xN ) (xi ∈ {1, · · · , d) given as
r
α ,α α ,αN
X α0 ,α1 α1 ,α2
Tx1 ,··· ,xN = Aα0 N −2 N −1 N −1
0 A1,x1 A2,x2 · · · AN −1,xN −1 AN,xN Aα
N
N
(4)
{αi }N
i=0
=1
x1 xN x1 xN
T T
(a) An order-N Tensor T (b) An order-N circular Tensor T
x1 x2 xN −1 xN x1 x2 xN −1 xN
α1 ... αN −1 α1 ... αN −1
A1 A2 AN −1 AN A1 A2 AN −1 AN
αN
(c) An order-N MPS T (d) An order-N c-MPS T .
x1 x2 xN −1 xN x1 x2 xN −1 xN
α1 ... αN −1 α1 ... αN −1
A1 A2 AN −1 AN A1 A2 AN −1 AN
αN
β1 β2 βN −1 βN β1 β2 βN −1 βN
0
αN
Ā1 Ā2 ... ĀN −1 ĀN Ā1 Ā2 ... ĀN −1 ĀN
0 0
α10 αN −1 α10 αN −1
Another class of tensor network that is studied in this paper is the Locally Purified State
(LPS). An order-N MPS with d-dimensional indices, admits an LPS representation of
puri-rank r and purification dimension µ when the entries of T can be written as:
r µ
α ,α00 β ,α0 ,α01 β ,α0 ,α02
X X
Tx1 ,··· ,xN = A0 0 Aβ1,x
1 ,α0 ,α1
1
1
A1,x 1
0 β2 ,α1 ,α2
A2,x 2
2
A2,x 2
1
{αi ,α0i }N
i=0
=1 {βi }N
i=1
=1 (5)
β −1 ,α
N −2 ,αN −1 β −1 ,α
N −2 ,αN −1 β ,αN −1 ,αN βN ,α0N −1 ,α0N αN ,α0N
· · · ANN−1,x N −1
ANN−1,x N −1
N
AN,xN
AN,xN AN +1
4
α ,α0
where Ak , k ∈ {0, N + 1}, is an r × r matrix, where the element (αk , αk0 ) is denoted as Ak k k .
Further, Ak , k ∈ {1, · · · , N }, is an order-4 tensor of dimension d × µ × r × r, where the
element (x, β, αL , αR ) is denoted as Aβ,αk,x
L ,αR
, and elements belong to R or C, as defined
based on the context.
The tensor networks can be represented using tensor diagrams, where tensors are represented
by boxes, and indices in the tensors are represented by lines emerging from the boxes. The
lines connecting tensors between each other correspond to contracted indices, whereas lines
that do not go from one tensor to another correspond to open indices Orús [2014]. The
tensor diagrams corresponding to tensor networks MPS and LPS can be seen in Figure (2c)
and (2e), respectively.
Learning of HQMM: Two state-of-the-art algorithms for learning HQMMs were pro-
posed in [Srinivasan et al., 2018, Adhikary et al., 2020]. Both algorithms use an iterative
maximum-likelihood algorithm to learn Kraus operators to model sequential data using an
HQMM. The proposed algorithm in [Srinivasan et al., 2018] is slow and there is no theoretical
gaurantee that the algorithm steps towards the optimum at every iteration [Adhikary et al.,
2020]. The proposed algorithm in [Adhikary et al., 2020], however, uses a gradient-based
algorithm. Although, the proposed algorithm in [Adhikary et al., 2020] is able to learn an
HQMM that outperforms the corresponding HMM, this comes at the cost of a rapid scaling
in the number of parameters. In order to deal with this issue, equivalence between HQMMs
and Tensor Networks have been considered to achieve efficient learning [Glasser et al., 2019,
Adhikary et al., 2021].
3 Proposed c-HQMM
In this section, we propose Circular HQMM (c-HQMM) for modeling temporal data.
! !!
X X
p(x1 , · · · , xN ) = tr K̄N,xN ,wxN ⊗ KN,xN ,wxN ··· K̄1,x1 ,wx1 ⊗ K1,x1 ,wx1
wxN wx1
(6)
where tr(·) indicates the trace of the resulting matrix. This model is illustrated in Figure
(3b).
We note that this representation along with the algorithm proposed in [Srinivasan et al., 2018,
Algorithm 1] can be used to show that any d dimensional circular HMM can be simulated as
an equivalent d2 dimensional c-HQMM.
5
x1 x2 xN −1 xN x1 x2 xN −1 xN
K1 K2 ... KN −1 KN K1 K2 ... KN −1 KN
β1 β2 βN −1 βN β1 β2 βN −1 βN
¯1
K ¯2
K ... ¯ N −1
K ¯N
K ¯1
K ¯2
K ... ¯ N −1
K ¯N
K
6
Theorem 1. c-HQMM model is equivalent to a c-LPS structure where the decomposition
entries Ab,a
i,x
1 ,a2
are complex, and the r × r matrices formed by Ab,·,·
i,x for all i, x, b are positive
semi-definite (p.s.d.).
The proof structure can be directly specialized to HQMM, where we can obtain the following
result:
Lemma 1. HQMM model is equivalent to a LPS structure where the decomposition entries
Ab,a
i,x
1 ,a2
are complex, and the r × r matrices formed by Ab,·,·
i,x for all i, x, b are positive semi-
definite (p.s.d.) for i ∈ {1, · · · , N }. Further, r × r matrix A0 is p.s.d. and r × r matrix
AN +1 is the identity matrix.
Further, we note that the prior works do not relate c-HMM to tensor networks, to the best
of our knowledge. In the following result, we relate the c-HMM to c-MPS.
Lemma 2. c-HMM model is equivalent to a c-MPS model, where the entries of each
decomposition are real and non-negative.
A1 A2 ... AN
7
where the tensor decomposition entries follow the structure in Theorem 1. Our objective here
βi ,αL ,αR
is to estimate tensor elements of the c-LPS, i.e., w = Ai,xi i i , for i = 1, · · · , N . For this
purpose, we minimize the negative log-likelihood:
X Txi
L=− log (9)
i
ZT
To find the optimal solution, we calculate the derivative of the log-likelihood with respect to
w as follows:
X ∂w Tx ∂w ZT
∂w L = − i
− (10)
i
Txi ZT
X
ZT = Tx1 ,··· ,xN (11)
x1 ,··· ,xN
This contraction is performed, as shown in Figure (4), from left to right by contracting at
each step the two vertical indices (corresponding to di and d¯i with respect to the supports
of Xi and X̄i ) and then each of the two horizontal indices (with respect to αi s and αi0 s,
respectively). Finally, we trace out the indices corresponding to the rings. In this contraction,
intermediate results from the contraction of the first i tensors are stored in Ei , and the same
procedure is repeated from the right with intermediate results of the contraction of the last
N − i tensors stored in Fi+1 . The derivatives of the normalization for each tensor are then
computed as
𝐴𝑖
∂ w ZT 𝐸𝑖−1 𝐹𝑖+1
= k
j
l
∂w Āj,k,l
i,m m
Computing Txi for a training sample and its derivative is done in the same way, except that
the contracted index corresponding to an observed variable is now fixed to its observed value.
We note that a similar approach to learn the model can be used for HQMM, HMM, and
c-HMM structures.
8
7 Numerical Evaluations: Maximum Likelihood Estimation on
Real Data
To evaluate the performance of the proposed algorithm for learning c-HQMMs, we used
the same datasets as used in [Glasser et al., 2019] and learn HMM, c-HMM, HQMM, and
c-HQMM using their respective tensor representations. HMM is equivalent to MPSR≥0 , and
is a baseline for other structures. We note that equivalence of both c-HMMs and c-HQMMs
to tensor networks first appear in this paper. Further, the equivalence of LPS and HQMM for
finite N with non-uniform Kraus operators is also studied for the first time in this paper. We
compare the performance of training HMM, c-HMM, HQMM, and c-HQMM using equivalent
tensor representations on six different real data of categorical variables, where following
parameters are used:
Each data point reported here is the lowest negative log-likelihood obtained from 10 trials
with different initialization of tensors.
Results: The obtained results, summarized in Figure 5, show that (1) The tensor repre-
sentations can be used to learn different HMMs. (2) We observe that despite the different
algorithm choice, on almost all data sets, c-LPS and LPS lead to better modeling of the data
distribution for the same rank as compared to MPS. (3) The results indicate that c-HQMM
outperforms HQMM, HMM, and c-HMM. (4) In many cases, the performance difference
between LPS and c-LPS for rank 5 and 6 is more significant than the cases with the rank 2
and 3. Further, the improvement depends on the dataset. We also note that we plot negative
of log likelihoods, so the gap in the likelihoods is larger. The results suggest that in generic
settings HQMM and c-HQMM should be preferred over both HMM and c-HMM models,
respectively. Further, c-HQMM gives the best performance among the considered models.
13.5 14.5 13
12.5 14 12.5
11.5 13.5 12
10.5 13
11.5
9.5 12.5
11
8.5 12
7.5 11.5 10.5
6.5 11 10
5.5 10.5 9.5
D=2 D=3 D=4 D=5 D=6 D=2 D=3 D=4 D=5 D=6 D=2 D=3 D=4 D=5 D=6
HMM c-HMM HQMM c-HQMM HMM c-HMM HQMM c-HQMM HMM c-HMM HQMM c-HQMM
9
8 Conclusion
This paper proposes a new class of hidden Markov models, that we called circular Hidden
Quantum Markov Models (c-HQMMs). c-HQMMs can be used to model temporal data in
quantum datasets (with classical datasets as a special case). We proved that c-HQMMs are
equivalent to circular LPS models with positive-semidefinite constraints on certain matrix
structure in the LPS decomposition. Leveraging this result, we proposed an MLE based
algorithm for learning c-HQMMs from data via c-LPS. We evaluated the proposed learning
approach on six real datasets, demonstrating the advantage of c-HQMMs on multiple datasets
as compared to HQMMs, circular HMMs, and HMMs.
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