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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…
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…
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…
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…
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…
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…
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…
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)…
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…
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…
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,…
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…
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…
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…
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…
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…
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…
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…
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…