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Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must…

Machine Learning · Computer Science 2025-10-16 Jiacheng Cen , Anyi Li , Ning Lin , Tingyang Xu , Yu Rong , Deli Zhao , Zihe Wang , Wenbing Huang

The majority of model-based learned image reconstruction methods in medical imaging have been limited to uniform domains, such as pixelated images. If the underlying model is solved on nonuniform meshes, arising from a finite element method…

Image and Video Processing · Electrical Eng. & Systems 2021-07-12 William Herzberg , Daniel B. Rowe , Andreas Hauptmann , Sarah J. Hamilton

Accurate and timely traffic flow forecasting is crucial for intelligent transportation systems. This paper presents a novel deep learning model, the Spatial-Temporal Unified Graph Attention Network (STGAtt). By leveraging a unified graph…

Machine Learning · Computer Science 2025-08-26 Zhuding Liang , Jianxun Cui , Qingshuang Zeng , Feng Liu , Nenad Filipovic , Tijana Geroski

This work formalizes the associational task of predicting node attribute evolution in temporal graphs from the perspective of learning equivariant representations. We show that node representations in temporal graphs can be cast into two…

Machine Learning · Computer Science 2023-03-29 Jianfei Gao , Bruno Ribeiro

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

Soft Condensed Matter · Physics 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Machine Learning · Computer Science 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Spatio-temporal graph neural networks (STGNNs) have gained popularity as a powerful tool for effectively modeling spatio-temporal dependencies in diverse real-world urban applications, including intelligent transportation and public safety.…

Machine Learning · Computer Science 2023-10-27 Jiabin Tang , Lianghao Xia , Chao Huang

Electroencephalography (EEG) often shows significant variability among people. This fluctuation disrupts reliable acquisition and may result in distortion or clipping. Modulo sampling is now a promising solution to this problem, by folding…

Signal Processing · Electrical Eng. & Systems 2025-10-31 Soujanya Hazra , Sanjay Ghosh

Volatility forecasting is essential for risk management and decision-making in financial markets. Traditional models like Generalized Autoregressive Conditional Heteroskedasticity (GARCH) effectively capture volatility clustering but often…

Mathematical Finance · Quantitative Finance 2024-10-23 Pulikandala Nithish Kumar , Nneka Umeorah , Alex Alochukwu

This paper pertains to an emerging machine learning paradigm: learning higher-order functions, i.e. functions whose inputs are functions themselves, $\textit{particularly when these inputs are Neural Networks (NNs)}$. With the growing…

Machine Learning · Computer Science 2024-10-31 Ioannis Kalogeropoulos , Giorgos Bouritsas , Yannis Panagakis

Spatiotemporal modeling has evolved beyond simple time series analysis to become fundamental in structural time series analysis. While current research extensively employs graph neural networks (GNNs) for spatial feature extraction with…

Machine Learning · Computer Science 2026-04-20 Zhaobo Hu , Vincent Gauthier , Mehdi Naima

Recent studies have shown that autoencoder-based models can achieve superior performance on anomaly detection tasks due to their excellent ability to fit complex data in an unsupervised manner. In this work, we propose a novel…

Machine Learning · Computer Science 2022-09-20 Wenkai Li , Wenbo Hu , Ting Chen , Ning Chen , Cheng Feng

A vast majority of spiking neural networks (SNNs) are trained based on inductive biases that are not necessarily a good fit for several critical tasks that require low-latency and power efficiency. Inferring brain behavior based on the…

Neural and Evolutionary Computing · Computer Science 2023-04-20 Xi Chen , Siwei Mai , Konstantinos Michmizos

Continuum mechanics simulators, numerically solving one or more partial differential equations, are essential tools in many areas of science and engineering, but their performance often limits application in practice. Recent modern machine…

Machine Learning · Computer Science 2021-06-10 Mario Lino , Chris Cantwell , Anil A. Bharath , Stathi Fotiadis

Accurate epidemic forecasting is crucial for effective disease control and prevention. Traditional compartmental models often struggle to estimate temporally and spatially varying epidemiological parameters, while deep learning models…

Machine Learning · Computer Science 2025-04-08 Shuai Han , Lukas Stelz , Thomas R. Sokolowski , Kai Zhou , Horst Stöcker

Understanding how neuronal networks reorganize in response to external stimuli and give rise to behavior is a central challenge in neuroscience and artificial intelligence. However, existing methods often fail to capture the evolving…

Neurons and Cognition · Quantitative Biology 2025-06-02 Moein Khajehnejad , Forough Habibollahi , Ahmad Khajehnejad , Chris French , Brett J. Kagan , Adeel Razi

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Common wisdom in the graph neural network (GNN) community dictates that anisotropic models -- in which messages sent between nodes are a function of both the source and target node -- are required to achieve state-of-the-art performance.…

Machine Learning · Computer Science 2022-05-10 Shyam A. Tailor , Felix L. Opolka , Pietro Liò , Nicholas D. Lane

We propose Lite-STGNN, a lightweight spatial-temporal graph neural network for long-term multivariate forecasting that integrates decomposition-based temporal modeling with learnable sparse graph structure. The temporal module applies…

Machine Learning · Computer Science 2025-12-22 Henok Tenaw Moges , Deshendran Moodley

Graph attention networks (GATs) provide one of the best frameworks for learning node representations in relational data; but, existing variants such as Graph Attention Network (GAT) mainly operate on static graphs and rely on implicit…

Machine Learning · Computer Science 2026-04-14 Ami Chopra , Supriya Bordoloi , Shyamanta M. Hazarika
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