Noninvasive medical neuroimaging has yielded many discoveries about the brain connectivity. Several substantial techniques mapping morphological, structural and functional brain connectivities were developed to create a comprehensive road map of neuronal activities in the human brain -namely brain graph. Relying on its non-Euclidean data type, graph neural network (GNN) provides a clever way of learning the deep graph structure and it is rapidly becoming the state-of-the-art leading to enhanced performance in various network neuroscience tasks. Here we review current GNN-based methods, highlighting the ways that they have been used in several applications related to brain graphs such as missing brain graph synthesis and disease classification. We conclude by charting a path toward a better application of GNN models in network neuroscience field for neurological disorder diagnosis and population graph integration. The list of papers cited in our work is available at https://github.com/basiralab/GNNs-in-Network-Neuroscience.

The physics of a closed quantum mechanical system is governed by its Hamiltonian. However, in most practical situations, this Hamiltonian is not precisely known, and ultimately all there is are data obtained from measurements on the system. In this work, we introduce a highly scalable, data-driven approach to learning families of interacting many-body Hamiltonians from dynamical data, by bringing together techniques from gradient-based optimization from machine learning with efficient quantum state representations in terms of tensor networks. Our approach is highly practical, experimentally friendly, and intrinsically scalable to allow for system sizes of above 100 spins. In particular, we demonstrate on synthetic data that the algorithm works even if one is restricted to one simple initial state, a small number of single-qubit observables, and time evolution up to relatively short times. For the concrete example of the one-dimensional Heisenberg model our algorithm exhibits an error constant in the system size and scaling as the inverse square root of the size of the data set.

We propose using a two-layered deployment of machine learning Artificial Intelligence (AI) solutions have penetrated the Industry models to prevent adversarial attacks. The first layer determines 4.0 domain by revolutionizing the rigid production lines enabling whether the data was tampered, while the second layer solves a innovative functionalities like mass customization, predictive maintenance, domain-specific problem. We explore three sets of features and zero defect manufacturing, and digital twins. However, three dataset variations to train machine learning models. Our results AI-fuelled manufacturing floors involve many interactions between show clustering algorithms achieved promising results. In the AI systems and other legacy Information and Communications particular, we consider the best results were obtained by applying Technology (ICT) systems, generating a new territory for malevolent the DBSCAN algorithm to the structured structural similarity index actors to conquer. Hence, the threat landscape of Industry 4.0 is measure computed between the images and a white reference expanded unpredictably if we also consider the emergence of adversary image.

Kidney is an essential organ in human body. It maintains homeostasis and removes harmful substances through urine. Renal cell carcinoma (RCC) is the most common form of kidney cancer. Around 90\% of all kidney cancers are attributed to RCC. Most harmful type of RCC is clear cell renal cell carcinoma (ccRCC) that makes up about 80\% of all RCC cases. Early and accurate detection of ccRCC is necessary to prevent further spreading of the disease in other organs. In this article, a detailed experimentation is done to identify important features which can aid in diagnosing ccRCC at different stages. The ccRCC dataset is obtained from The Cancer Genome Atlas (TCGA). A novel mutual information and ensemble based feature ranking approach considering the order of features obtained from 8 popular feature selection methods is proposed. Performance of the proposed method is evaluated by overall classification accuracy obtained using 2 different classifiers (ANN and SVM). Experimental results show that the proposed feature ranking method is able to attain a higher accuracy (96.6\% and 98.6\% using SVM and NN, respectively) for classifying different stages of ccRCC with a reduced feature set as compared to existing work. It is also to be noted that, out of 3 distinguishing features as mentioned by the existing TNM system (proposed by AJCC and UICC), our proposed method was able to select two of them (size of tumour, metastasis status) as the top-most ones. This establishes the efficacy of our proposed approach.

Contrastive learning has recently achieved remarkable success in many domains including graphs. However contrastive loss, especially for graphs, requires a large number of negative samples which is unscalable and computationally prohibitive with a quadratic time complexity. Sub-sampling is not optimal and incorrect negative sampling leads to sampling bias. In this work, we propose a meta-node based approximation technique that can (a) proxy all negative combinations (b) in quadratic cluster size time complexity, (c) at graph level, not node level, and (d) exploit graph sparsity. By replacing node-pairs with additive cluster-pairs, we compute the negatives in cluster-time at graph level. The resulting Proxy approximated meta-node Contrastive (PamC) loss, based on simple optimized GPU operations, captures the full set of negatives, yet is efficient with a linear time complexity. By avoiding sampling, we effectively eliminate sample bias. We meet the criterion for larger number of samples, thus achieving block-contrastiveness, which is proven to outperform pair-wise losses. We use learnt soft cluster assignments for the meta-node constriction, and avoid possible heterophily and noise added during edge creation. Theoretically, we show that real world graphs easily satisfy conditions necessary for our approximation. Empirically, we show promising accuracy gains over state-of-the-art graph clustering on 6 benchmarks. Importantly, we gain substantially in efficiency; up to 3x in training time, 1.8x in inference time and over 5x in GPU memory reduction.

We present a novel procedure for optimization based on the combination of efficient quantized tensor train representation and a generalized maximum matrix volume principle. We demonstrate the applicability of the new Tensor Train Optimizer (TTOpt) method for various tasks, ranging from minimization of multidimensional functions to reinforcement learning. Our algorithm compares favorably to popular evolutionary-based methods and outperforms them by the number of function evaluations or execution time, often by a significant margin.

Various Non-negative Matrix factorization (NMF) based methods add new terms to the cost function to adapt the model to specific tasks, such as clustering, or to preserve some structural properties in the reduced space (e.g., local invariance). The added term is mainly weighted by a hyper-parameter to control the balance of the overall formula to guide the optimization process towards the objective. The result is a parameterized NMF method. However, NMF method adopts unsupervised approaches to estimate the factorizing matrices. Thus, the ability to perform prediction (e.g. classification) using the new obtained features is not guaranteed. The objective of this work is to design an evolutionary framework to learn the hyper-parameter of the parameterized NMF and estimate the factorizing matrices in a supervised way to be more suitable for classification problems. Moreover, we claim that applying NMF-based algorithms separately to different class-pairs instead of applying it once to the whole dataset improves the effectiveness of the matrix factorization process. This results in training multiple parameterized NMF algorithms with different balancing parameter values. A cross-validation combination learning framework is adopted and a Genetic Algorithm is used to identify the optimal set of hyper-parameter values. The experiments we conducted on both real and synthetic datasets demonstrated the effectiveness of the proposed approach.

Accurate estimation of Intrinsic Dimensionality (ID) is of crucial importance in many data mining and machine learning tasks, including dimensionality reduction, outlier detection, similarity search and subspace clustering. However, since their convergence generally requires sample sizes (that is, neighborhood sizes) on the order of hundreds of points, existing ID estimation methods may have only limited usefulness for applications in which the data consists of many natural groups of small size. In this paper, we propose a local ID estimation strategy stable even for `tight' localities consisting of as few as 20 sample points. The estimator applies MLE techniques over all available pairwise distances among the members of the sample, based on a recent extreme-value-theoretic model of intrinsic dimensionality, the Local Intrinsic Dimension (LID). Our experimental results show that our proposed estimation technique can achieve notably smaller variance, while maintaining comparable levels of bias, at much smaller sample sizes than state-of-the-art estimators.

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias, surprisingly, we discover that GNNs always tend to explore the spurious correlations to make decision, even if the causal correlation always exists. This implies that existing GNNs trained on such biased datasets will suffer from poor generalization capability. By analyzing this problem in a causal view, we find that disentangling and decorrelating the causal and bias latent variables from the biased graphs are both crucial for debiasing. Inspiring by this, we propose a general disentangled GNN framework to learn the causal substructure and bias substructure, respectively. Particularly, we design a parameterized edge mask generator to explicitly split the input graph into causal and bias subgraphs. Then two GNN modules supervised by causal/bias-aware loss functions respectively are trained to encode causal and bias subgraphs into their corresponding representations. With the disentangled representations, we synthesize the counterfactual unbiased training samples to further decorrelate causal and bias variables. Moreover, to better benchmark the severe bias problem, we construct three new graph datasets, which have controllable bias degrees and are easier to visualize and explain. Experimental results well demonstrate that our approach achieves superior generalization performance over existing baselines. Furthermore, owing to the learned edge mask, the proposed model has appealing interpretability and transferability. Code and data are available at: https://github.com/googlebaba/DisC.

The Iterative Hard Thresholding (IHT) algorithm has been considered extensively as an effective deterministic algorithm for solving sparse optimizations. The IHT algorithm benefits from the information of the batch (full) gradient at each point and this information is a crucial key for the convergence analysis of the generated sequence. However, this strength becomes a weakness when it comes to machine learning and high dimensional statistical applications because calculating the batch gradient at each iteration is computationally expensive or impractical. Fortunately, in these applications the objective function has a summation structure that can be taken advantage of to approximate the batch gradient by the stochastic mini-batch gradient. In this paper, we study the mini-batch Stochastic IHT (SIHT) algorithm for solving the sparse optimizations. As opposed to previous works where increasing and variable mini-batch size is necessary for derivation, we fix the mini-batch size according to a lower bound that we derive and show our work. To prove stochastic convergence of the objective value function we first establish a critical sparse stochastic gradient descent property. Using this stochastic gradient descent property we show that the sequence generated by the stochastic mini-batch SIHT is a supermartingale sequence and converges with probability one. Unlike previous work we do not assume the function to be a restricted strongly convex. To the best of our knowledge, in the regime of sparse optimization, this is the first time in the literature that it is shown that the sequence of the stochastic function values converges with probability one by fixing the mini-batch size for all steps.