Heterogeneous Graphs and Relational Graph Convolutional Networks (RGCNs): How can we prevent overfitting? In my post of last week [https://lnkd.in/d5cZn5ur], I spoke about Heterogeneous Graphs - examples of Heterogeneous Graphs being Knowledge Graphs which might have several node types or relationship types. I had mentioned that training such complex networks can become computationally intensive because each relationship type has to be associated with different weight/parameter thus increasing the number of overall parameters to be learnt for a RGCN model and thus resulting in overfitting of the model. I had then highlighted about "Block Diagonal Matrices" And "Basis Learning" to reduce the number of parameters of a RGCN model. Let us try and put some more insight into "Block Diagonal and Basis Learning" and understand what these actually mean! Block Diagonal Matrices: The key idea with "Block Diagonal Matrices" is to make the Transformation matrices corresponding Wr as sparse as possible- that is: to enforce a block diagonal structure as shown in the Figure 1 below so that the non-zero elements lie only on the specific blocks of the transformation matrix "Wr". This reduces the number of non-zero elements which means that during computation you will have to only estimate the non-zero elements. This reduces the training time considerably What do you lose by using Block Diagonal Matrices? Well, we do lose some information by using Block Diagonal Matrices - the embedding dimension far from one another will not be able to interact with each other It’s only the embedding dimension that are along the non-zero entities that will be able to interact with each other that is: only the neurons along the non-zero entities will be able to interact with each other Basis Learning: The second idea to make the RCNs more scalable is to share the weights amongst the relationship types. That is: we do not want the relationships to be independent of each other, but we want the relations to share the information based on some magnitude of weighting. This can be achieved by elegantly representing the Transformation matrices Wr as a linear combination of "Basis" matrices. These "Basis" matrices are also termed "Dictionaries" In this approach, the weight matrix Wr will be represented as a linear combination i.e. a weighted sum of Dictionary matrices Vb as highlighted in the Equation below In the equation, arb is the "importance" weight corresponding to the relation for the matrix "b". Thus, every relation will have to learn its importance weight for each of the basis matrices. This significantly reduces the number of parameters - as the basis matrices may be 10 or a larger number whereas number of relation types may be thousands and arb are scalar numbers will have to be learnt #graphs #machinelearning #deeplearning My Technical Blogs Library 1) https://lnkd.in/ejyWacXn 2) https://lnkd.in/bfrkRjq Follow Ajay Taneja for insights on Engineering
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*** Which Machine Learning Method Is The Most Mathematical *** ~ The most mathematical machine-learning method is likely the Support Vector Machine (SVM). Here's why: ~ Support Vector Machine (SVM) Mathematical Foundation: * Optimization: SVMs involve solving complex optimization problems. The goal is to find the hyperplane that best separates the data into different classes with the maximum margin. * Convex Optimization: SVMs use convex optimization techniques to ensure that the solution is a global minimum. * Kernel Methods: Using kernel functions, SVMs can handle non-linear classification by transforming data into higher dimensions. Standard kernels include polynomial, radial basis function (RBF), and sigmoid. Formulation: * Objective Function: The objective function minimizes a loss function subject to certain constraints. For a linear SVM, the optimization problem can be written as $$ \min_{w, b} \frac{1}{2} \|w\|^2 \quad \text{subject to} \quad y_i (w \cdot x_i + b) \geq 1 $$ where w is the weight vector, b is the bias, x(i) are the input vectors, and y(i) are the class labels. Dual Form: * The dual form of the SVM optimization problem involves Lagrange multipliers and quadratic programming, which adds another layer of mathematical complexity. Kernel Trick: * The kernel trick allows SVMs to perform in high-dimensional spaces without explicitly computing the coordinates. Instead, it relies on computing the dot products in the transformed space. ~ Other Mathematically Intensive Methods 1. Bayesian Networks: * Probabilistic Graphical Models: These models use probability and graph theories to model complex dependencies. * Bayesian Inference: Requires integration and marginalization over probability distributions. 2. Gaussian Processes: * Non-parametric Models: These use Gaussian distributions to make predictions, which require inverting large covariance matrices, which are computationally and mathematically intensive. 3. Principal Component Analysis (PCA): * Linear Algebra: Uses eigenvalue decomposition and singular value decomposition (SVD) to reduce the dimensionality of data. * Variance Maximization: Finds the principal components that explain the most variance in the data. ~ Conclusion While many machine learning methods have significant mathematical foundations, SVMs stand out due to their reliance on optimization, kernel methods, and dual formulations. Other techniques, such as Bayesian Networks, Gaussian Processes, and PCA, also involve deep mathematical concepts and are worth exploring if you're interested in the more theoretical aspects of machine learning. --- B. Noted
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VectorDBs enhancements: ✨ Vector databases have seen significant advancements, especially in their capability to handle complex, high-dimensional data efficiently. One of the key innovations is the introduction of advanced multi-tenancy support, which allows multiple users to share the same database infrastructure without compromising performance or data isolation. Strategies such as per-tenant indexing and metadata filtering have been refined to balance search speed and memory usage effectively. This ensures that vector databases can cater to diverse applications without sacrificing efficiency or security. Another breakthrough is the development of optimized indexing algorithms. The SOAR (Spilling with Orthogonality-Amplified Residuals) algorithm for ScaNN significantly enhances vector search efficiency by introducing mathematically crafted redundancy. This improvement addresses the challenges of approximate nearest neighbor (ANN) search, providing faster and more accurate results while maintaining a compact index size. These advancements are crucial for applications requiring rapid and precise data retrieval, such as recommendation systems and real-time analytics. The integration of advanced machine learning models into vector databases has also marked a pivotal shift. These models now generate more compact and versatile vector embeddings, reducing storage needs and improving computational efficiency. Techniques such as hierarchical navigable small world (HNSW) graphs and product quantization (PQ) have been pivotal in optimizing ANN searches, ensuring high performance even with large datasets. HNSW graphs create a navigable structure that reduces search time, while PQ compresses vectors to enhance search efficiency. This makes vector databases a vital tool for AI applications, enhancing capabilities in areas like image recognition, natural language processing, and real-time data analytics. Emerging trends also indicate a growing integration of vector databases with other database technologies. For example, combining vector search with traditional relational databases provides a hybrid approach that leverages the strengths of both systems. This integration is particularly beneficial in specific industry applications such as personalized recommendations, image and video retrieval, and real-time data analytics. Additionally, the development of algorithms like Fast Approximate Nearest Neighbor Search (FANNS) further improves the speed and accuracy of vector searches, making them more practical for real-world applications. #HierarchicalNavigableSmallWorld #HNSW #ProductQuantization #PQ #FastApproximateNearestNeighborSearch #FANNS #ScaNN
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☛ Support Vector Machines are a powerful class of supervised machine learning algorithms primarily used for classification and regression tasks. ☛ They are particularly effective in high-dimensional spaces and are known for their ability to model complex decision boundaries. ➧Key Concepts ⤞Hyperplane: A decision boundary that separates different classes in the feature space. In two dimensions, this is a line; in three dimensions, it is a plane; and in higher dimensions, it is referred to as a hyperplane. ⤞Support Vectors: The data points that are closest to the hyperplane. These points are critical as they influence the position and orientation of the hyperplane. ⤞Margin: The distance between the hyperplane and the nearest support vectors. SVMs aim to maximize this margin. Types of SVMs ⤞ Linear SVM: Used when the data is linearly separable, meaning a straight line or hyperplane in higher dimensions can effectively separate the classes. ⤞ Kernel SVM: For non-linearly separable data, SVMs use kernel functions to transform the data into a higher-dimensional space where a linear separation is possible. Common kernels include. ⤞ Radial Basis Function: Measures similarity based on the distance between data points. ⤞Polynomial Kernel: Represents the similarity as a polynomial function of the input data. ➨The Kernel Trick ⤞ The kernel trick is a computational technique that allows SVMs to operate in high-dimensional spaces without explicitly transforming the data. Instead, it computes the relationships between data points in the original space, making the algorithm efficient and scalable. ➨ Applications of SVMs SVMs are versatile and can be applied across various domains, including. ⤞ Text Classification: Such as spam detection and sentiment analysis. ⤞ Image Recognition: For tasks like face detection and object recognition. ⤞ Bioinformatics: In protein classification and gene expression analysis. ⤞ Finance: For predicting stock market trends and credit scoring. ➨ Advantages of SVMs ⤞ Effective in High Dimensions: SVMs perform well even when the number of features exceeds the number of samples. ⤞ Robustness: They are less prone to overfitting, especially with a clear margin of separation. ⤞ Flexibility: The use of different kernels allows SVMs to adapt to various types of data distributions. Limitations of SVMs ⤞ Computational Complexity: SVMs can become computationally intensive with large datasets, particularly in training. ⤞ Choice of Kernel: The performance of SVMs can be sensitive to the choice of kernel and its parameters. #artificialintelligence #ai #machinelearning #technology #deeplearning #datascience #programming #coding #developer #tech #innovation #future #internet #development #software #javascript #robot #data #computerscience #robotics #automation #digitaltransformation #metaverse #cybersecurity #solutions #computer #security #information #websitedesign #virtualreality #sql #mysql
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Gradient Descent Algorithms Explained 📉🤖 Gradient Descent (GD) 🏔️ ================ Gradient Descent is an optimization algorithm used to minimize the cost function in machine learning models. The process involves the following steps: Initialize Parameters: Start with initial values for the parameters (weights). Compute Gradient: Calculate the gradient of the cost function with respect to each parameter. Update Parameters: Adjust the parameters in the direction opposite to the gradient to minimize the cost function. Iterate: Repeat the process until the algorithm converges to the minimum of the cost function. In GD, the entire training dataset is used to compute the gradient of the cost function. This can be computationally expensive, especially with large datasets. Stochastic Gradient Descent (SGD) 🚀 ======================= SGD is a variant of GD that aims to reduce the computational burden. Instead of using the entire dataset to compute the gradient, SGD updates the parameters using only one training example at a time. Initialize Parameters: Start with initial values for the parameters. Compute Gradient: Calculate the gradient of the cost function using a single training example. Update Parameters: Adjust the parameters in the direction opposite to the gradient. Iterate: Repeat the process for each training example and iterate over the dataset multiple times. The main advantage of SGD is that it is much faster and can handle larger datasets. However, it introduces noise in the updates, which can make the convergence path noisy. Mini-batch Gradient Descent 🎯 =================== Mini-batch Gradient Descent is a compromise between GD and SGD. Instead of using the entire dataset or a single training example, mini-batch GD uses a small random subset (mini-batch) of the training data to compute the gradient. Initialize Parameters: Start with initial values for the parameters. Compute Gradient: Calculate the gradient of the cost function using a mini-batch of training examples. Update Parameters: Adjust the parameters in the direction opposite to the gradient. Iterate: Repeat the process for each mini-batch and iterate over the dataset multiple times. Mini-batch GD offers a balance between the fast convergence of SGD and the stability of GD. It helps in reducing the noise introduced by SGD and is computationally more efficient than GD. Key Differences and Links 🧩 GD vs. SGD vs. Mini-batch GD: GD uses the entire dataset, leading to stable but slow updates. SGD uses one example at a time, leading to fast but noisy updates. Mini-batch GD uses a subset of the dataset, balancing speed and stability. Computational Efficiency: GD is computationally expensive but stable. SGD is computationally efficient but noisy. Mini-batch GD strikes a balance between the two. Understanding these differences can help you choose the right optimization algorithm for your machine-learning models based on your dataset size and computational resources. 📚✨
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Asymptotic notations are mathematical tools to describe the behavior of functions when the argument tends towards a particular value or infinity. In computer science, they are used to describe the running time of an algorithm as a function of the size of its input. The three most common asymptotic notations are Big O, Big Omega, and Big Theta. **Big O Notation (O)** Big O notation describes the upper bound of the time complexity. It gives the worst-case scenario of an algorithm’s running time. Big O provides an asymptotic upper limit. Formal Definition: A function - 𝑓(𝑛) f(n) is said to be 𝑂(𝑔(𝑛)) if there exist positive constants 𝑐 c and 𝑛0 such that 0≤𝑓(𝑛)≤𝑐⋅𝑔(𝑛) for all 𝑛≥𝑛0 - Graphical Representation: The function 𝑓(𝑛) grows at most as quickly as 𝑔(𝑛)up to a constant factor. **Big Omega Notation (Ω)** Big Omega notation describes the lower bound of the time complexity. It provides the best-case scenario of an algorithm’s running time. Big Omega gives an asymptotic lower limit. - Formal Definition: A function 𝑓(𝑛) is said to be Ω(𝑔(𝑛))if there exist positive constants 𝑐 and 𝑛0 such that 0≤𝑐⋅𝑔(𝑛)≤𝑓(𝑛) for all 𝑛≥𝑛0 . - Graphical Representation: The function 𝑓(𝑛) grows at least as quickly as 𝑔(𝑛) up to a constant factor. **Big Theta Notation (Θ)** Big Theta notation provides a tight bound on the time complexity. It describes both the upper and lower bounds. Big Theta gives an asymptotically tight bound. - Formal Definition: A function 𝑓(𝑛) is said to be Θ(𝑔(𝑛)) if there exist positive constants 𝑐1, 𝑐2 and 𝑛0 such that 0≤𝑐1⋅𝑔(𝑛)≤𝑓(𝑛)≤𝑐2⋅⋅g(n) for all 𝑛≥𝑛0. - Graphical Representation: The function 𝑓(𝑛) grows as quickly as 𝑔(𝑛) up to constant factors. **Example with Insertion Sort** Let's analyze the time complexity of the Insertion Sort algorithm using all three notations. Insertion Sort Algorithm: def insertion_sort(arr): for i in range(1, len(arr)): key = arr[i] j = i - 1 while j >= 0 and key < arr[j]: arr[j + 1] = arr[j] j -= 1 arr[j + 1] = key Best Case (Ω(n)): - When the array is already sorted, the inner while loop condition key < arr[j] is never true. - Time Complexity: Ω(n) Worst Case (O(n²)): - When the array is sorted in reverse order, the inner while loop executes for each element of the array. - Time Complexity: O(n²) Average Case (Θ(n²)): - On average, the inner while loop executes for about half of the elements. - Time Complexity: Θ(n²) Understanding these notations helps in analyzing and comparing the efficiency of algorithms, especially for large input sizes. If you have any specific questions or need further clarification, feel.
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"Understanding Support Vector Machines (SVM) in Machine Learning" Support Vector Machines (SVM) are a powerful and versatile algorithm in Machine Learning. They are particularly effective for classification tasks. ➟ What is an SVM? SVM is a supervised learning model that finds the optimal hyperplane to separate classes in the feature space. ➟ Why Use SVM? ⤷ High accuracy and robustness. ⤷ Effective in high-dimensional spaces. ⤷ Works well with a clear margin of separation. ⤷ Versatile with different kernel functions. ⤷ Suitable for both linear and non-linear data. ➟ How Does SVM Work? Here’s a step-by-step process of how SVM operates: ➊ Select the best hyperplane: Find the hyperplane that best separates the classes. ➋ Maximize margin: Ensure the maximum margin between the hyperplane and any data point. ➌ Use support vectors: Identify the data points closest to the hyperplane. ➍ Apply kernel trick: Transform data into a higher dimension if necessary. ➎ Classify new data: Use the hyperplane to classify new data points. ➟ Example Code: » from sklearn import svm » X = [[0, 0], [1, 1]] » y = [0, 1] » model = svm.SVC() » model.fit(X, y) » predictions = model.predict([[0, 0], [1, 1]]) » print(predictions) # Output: [0 1] ➟ Key Points: ⤷ Hyperparameters: Kernel type, regularization, gamma, and margin. ⤷ Kernel functions: Linear, polynomial, radial basis function (RBF), and sigmoid. ⤷ Support vectors: Critical data points that define the hyperplane. ⤷ Applications: Used in text classification, image recognition, bioinformatics, and more. ➟ Conclusion: Support Vector Machines are a robust and versatile algorithm in Machine Learning. They are particularly effective for classification tasks with clear margin separation. SVMs can significantly enhance your machine learning projects. ___________________________________________ 🔗 Join the conversation! Have you used Support Vector Machines in your projects? Share your experiences and insights below! 👇 👍 Like, 💬 Comment, and 🔄 Reshare to contribute to the community! #MachineLearning #DataScience #AI #SupportVectorMachines #TechTips #DataAnalysis ___________________________________________
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Support Vector Machines (SVM) significantly enhance machine learning projects by offering high accuracy and robustness, especially for classification tasks. They are effective in high-dimensional spaces and can handle both 𝐥𝐢𝐧𝐞𝐚𝐫 𝐚𝐧𝐝 𝐧𝐨𝐧-𝐥𝐢𝐧𝐞𝐚𝐫 𝐝𝐚𝐭𝐚, making them versatile for various applications like text classification and image recognition. Soft SVM is one of the best variants of SVM for working with real-world data as it gives the best results. Working with nonlinear data with a small tweak (to convert it into linear data in feature space (higher dimensions) is one of the most exciting things regarding SVMs. as you can work with Non-linear data and separate that data as it is linear data. These are some interesting and exciting things that SVM makes possible.
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"Understanding Support Vector Machines (SVM) in Machine Learning" Support Vector Machines (SVM) are a powerful and versatile algorithm in Machine Learning. They are particularly effective for classification tasks. ➟ What is an SVM? SVM is a supervised learning model that finds the optimal hyperplane to separate classes in the feature space. ➟ Why Use SVM? ⤷ High accuracy and robustness. ⤷ Effective in high-dimensional spaces. ⤷ Works well with a clear margin of separation. ⤷ Versatile with different kernel functions. ⤷ Suitable for both linear and non-linear data. ➟ How Does SVM Work? Here’s a step-by-step process of how SVM operates: ➊ Select the best hyperplane: Find the hyperplane that best separates the classes. ➋ Maximize margin: Ensure the maximum margin between the hyperplane and any data point. ➌ Use support vectors: Identify the data points closest to the hyperplane. ➍ Apply kernel trick: Transform data into a higher dimension if necessary. ➎ Classify new data: Use the hyperplane to classify new data points. ➟ Example Code: » from sklearn import svm » X = [[0, 0], [1, 1]] » y = [0, 1] » model = svm.SVC() » model.fit(X, y) » predictions = model.predict([[0, 0], [1, 1]]) » print(predictions) # Output: [0 1] ➟ Key Points: ⤷ Hyperparameters: Kernel type, regularization, gamma, and margin. ⤷ Kernel functions: Linear, polynomial, radial basis function (RBF), and sigmoid. ⤷ Support vectors: Critical data points that define the hyperplane. ⤷ Applications: Used in text classification, image recognition, bioinformatics, and more. ➟ Conclusion: Support Vector Machines are a robust and versatile algorithm in Machine Learning. They are particularly effective for classification tasks with clear margin separation. SVMs can significantly enhance your machine learning projects. ___________________________________________ 🔗 Join the conversation! Have you used Support Vector Machines in your projects? Share your experiences and insights below! 👇 👍 Like, 💬 Comment, and 🔄 Reshare to contribute to the community! #MachineLearning #DataScience #AI #SupportVectorMachines #TechTips #DataAnalysis ___________________________________________
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AlphaFind: Machine Learning and Clustering Enable Proteome-Wide Fast 3D Structure Similarity Search Procházka et al. recently reported AlphaFind which employs a machine learning model to discover the most similar ternary structures of a given protein using AlphaFold 2 (AF2) database. AlphaFind attempts to overcome the limitations of existing protein search tools such as Foldseek, 3D-SURFER, and Dali server. The Dali server and the 3D-SURFER do not scale well to large protein structural data. Foldseek does not support the entire AF database as it uses a pre-clustered 52-million subset of the >200-million AF database. In addition, Foldseek focuses on local interactions between residues and neighbors, limiting its use for similarity search. The protein data bank has accumulated more than 200,000 experimentally determined protein structures over seven decades. This data was used to train the AF2 model that was in turn used to predict, with high accuracy, more than 200 million protein structures housed in the AF database. This massive amount of structural data requires fast methods to organize, explore, and utilize them efficiently. AlphaFind is a protein structure search tool that extracts protein 3D features and represents the structures using a previously reported compact data embedding method, combined with data clustering and a machine learning model to identify the most similar structures to a given query. The input to AlphaFind is the UniProt ID, PDB ID, or relevant gene ID for a given protein, while the output is a set of proteins similar to the query. When given a query, the sequence of events implemented by AlphaFind include: 1️⃣ Converting the input into a UniProt ID 2️⃣ Identifying the associated candidate proteins 3️⃣ Calculating global and local similarity 4️⃣ Retrieving metadata for query and results from AF database 5️⃣ Superposing and visualizing pairs of input and output using NGL viewer, with results also linked to Mol* 6️⃣ Optional expanding of search results 7️⃣ Downloading of search results. While AlphaFind is an incredible resource, it does have some limitations. AlphaFind was developed on top of relatively older AF2 version 3, prior to the release of version 4. Trading of computational load for precision, the results returned by AlphaFind for a given query are approximate and may not always contain all the most similar structures. Also, AlphaFind considers all segments of the entire AF2 structure equally, and does not distinguish between structured and unstructured (i.e. high and low confident regions), hence potentially biasing search results. Paper: https://lnkd.in/g-9EVeRZ GitHub: https://lnkd.in/gvbqYtNV Web app: https://lnkd.in/g2SF3CbZ Manual: https://lnkd.in/g_nxww4V #structuralbiology #drugdiscovery #bioinformatics
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