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We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Understanding how neural dynamics shape cognitive experiences remains a central challenge in neuroscience and psychiatry. Here, we present a novel framework leveraging state-to-output controllability from dynamical systems theory to model…

Advanced deep neural networks (DNNs), designed by either human or AutoML algorithms, are growing increasingly complex. Diverse operations are connected by complicated connectivity patterns, e.g., various types of skip connections. Those…

Machine Learning · Computer Science 2022-10-13 Wuyang Chen , Wei Huang , Xinyu Gong , Boris Hanin , Zhangyang Wang

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

This study addresses the challenges of symptom evolution complexity and insufficient temporal dependency modeling in Parkinson's disease progression prediction. It proposes a unified prediction framework that integrates structural…

Machine Learning · Computer Science 2025-08-22 Jiacheng Hu , Bo Zhang , Ting Xu , Haifeng Yang , Min Gao

One of the hallmark symptoms of Parkinson's Disease (PD) is the progressive loss of postural reflexes, which eventually leads to gait difficulties and balance problems. Identifying disruptions in brain function associated with gait…

Machine Learning · Computer Science 2023-07-26 Favour Nerrise , Qingyu Zhao , Kathleen L. Poston , Kilian M. Pohl , Ehsan Adeli

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Machine Learning · Computer Science 2022-06-27 Ameya Velingker , Ali Kemal Sinop , Ira Ktena , Petar Veličković , Sreenivas Gollapudi

Brain networks characterize complex connectivities among brain regions as graph structures, which provide a powerful means to study brain connectomes. In recent years, graph neural networks have emerged as a prevalent paradigm of learning…

Machine Learning · Computer Science 2022-06-10 Yi Yang , Yanqiao Zhu , Hejie Cui , Xuan Kan , Lifang He , Ying Guo , Carl Yang

Recent advancements in medicine have confirmed that brain disorders often comprise multiple subtypes of mechanisms, developmental trajectories, or severity levels. Such heterogeneity is often associated with demographic aspects (e.g., sex)…

Image and Video Processing · Electrical Eng. & Systems 2024-10-08 Magdalini Paschali , Yu Hang Jiang , Spencer Siegel , Camila Gonzalez , Kilian M. Pohl , Akshay Chaudhari , Qingyu Zhao

A recurrent neural network (RNN) is a universal approximator of dynamical systems, whose performance often depends on sensitive hyperparameters. Tuning of such hyperparameters may be difficult and, typically, based on a trial-and-error…

Neural and Evolutionary Computing · Computer Science 2017-02-22 Filippo Maria Bianchi , Lorenzo Livi , Cesare Alippi , Robert Jenssen

Graphs are a natural representation of brain activity derived from functional magnetic imaging (fMRI) data. It is well known that clusters of anatomical brain regions, known as functional connectivity networks (FCNs), encode temporal…

Machine Learning · Computer Science 2023-01-30 Alexander Campbell , Simeon Spasov , Nicola Toschi , Pietro Lio

A dynamic graph (DG) is frequently encountered in numerous real-world scenarios. Consequently, A dynamic graph convolutional network (DGCN) has been successfully applied to perform precise representation learning on a DG. However,…

Machine Learning · Computer Science 2025-04-23 Minglian Han

Dynamic functional connectivity is an effective measure for the brain's responses to continuous stimuli. We propose an inferential method to detect the dynamic changes of brain networks based on time-varying graphical models. Whereas most…

Applications · Statistics 2020-06-23 Dingjue Ji , Junwei Lu , Yiliang Zhang , Hongyu Zhao , Siyuan Gao

Recent years have witnessed the great potential of attention mechanism in graph representation learning. However, while variants of attention-based GNNs are setting new benchmarks for numerous real-world datasets, recent works have pointed…

Machine Learning · Computer Science 2023-07-19 Hongjun Wang , Jiyuan Chen , Lun Du , Qiang Fu , Shi Han , Xuan Song

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

We study a class of deep neural networks with networks that form a directed acyclic graph (DAG). For backpropagation defined by gradient descent with adaptive momentum, we show weights converge for a large class of nonlinear activation…

Computer Vision and Pattern Recognition · Computer Science 2020-01-22 Chirag Agarwal , Joe Klobusicky , Dan Schonfeld

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Machine Learning · Computer Science 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

Managing microservice architectures in distributed systems is complex and resource intensive due to the high frequency and dynamic nature of inter service interactions. Accurate prediction of these future interactions can enhance adaptive…

Machine Learning · Computer Science 2025-01-28 Ghazal Khodabandeh , Alireza Ezaz , Majid Babaei , Naser Ezzati-Jivan

Recently, the potential of dynamic brain networks as a neuroimaging biomarkers for mental illnesses is being increasingly recognized. However, there are several unmet challenges in developing such biomarkers, including the need for methods…

Neurons and Cognition · Quantitative Biology 2019-10-10 Suprateek Kundu , Jin Ming , Jennifer Stevens

Understanding the dynamics of functional brain connectivity patterns using noninvasive neuroimaging techniques is an important focus in human neuroscience. Vector autoregressive (VAR) processes and Granger causality analysis (GCA) have been…

Applications · Statistics 2022-09-16 Jingjing Fan , Kevin Sitek , Bharath Chandrasekaran , Abhra Sarkar
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