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Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…

We introduce an $E(n)$-equivariant Transformer architecture for spatio-temporal graph data. By imposing rotation, translation, and permutation equivariance inductive biases in both space and time, we show that the Spacetime…

Machine Learning · Computer Science 2024-08-13 Sergio G. Charles

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

In diagnosing neurological disorders from electroencephalography (EEG) data, foundation models such as Transformers have been employed to capture temporal dynamics. Additionally, Graph Neural Networks (GNNs) are critical for representing…

Machine Learning · Computer Science 2025-02-19 Toyotaro Suzumura , Hiroki Kanezashi , Shotaro Akahori

In the evolving field of psychopathology, the accurate assessment and forecasting of data derived from Ecological Momentary Assessment (EMA) is crucial. EMA offers contextually-rich psychopathological measurements over time, that…

Machine Learning · Computer Science 2024-03-29 Mandani Ntekouli , Gerasimos Spanakis , Lourens Waldorp , Anne Roefs

Decoding visual neural representations from Electroencephalography (EEG) signals remains a formidable challenge due to their high-dimensional, noisy, and non-Euclidean nature. In this work, we propose a Spatial-Functional Awareness…

Artificial Intelligence · Computer Science 2025-10-10 Yueming Sun , Long Yang

Neural networks are emerging as a tool for scalable data-driven simulation of high-dimensional dynamical systems, especially in settings where numerical methods are infeasible or computationally expensive. Notably, it has been shown that…

Machine Learning · Computer Science 2024-09-16 Koen Minartz , Yoeri Poels , Simon Koop , Vlado Menkovski

Spatio-temporal time series (STTS) have been widely used in many applications. However, accurately forecasting STTS is challenging due to complex dynamic correlations in both time and space dimensions. Existing graph neural networks…

Machine Learning · Computer Science 2025-06-03 Jiankai Zheng , Liang Xie

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

Machine Learning · Computer Science 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

Spatial-temporal network traffic forecasting is a challenging task due to the complex spatial relationships and dynamic temporal patterns present in each node. Traditional regression methods are not directly applicable to such graph data.…

Information Retrieval · Computer Science 2026-05-12 Jinming Xing , Guoheng Sun , Hui Sun , Linchao Pan , Shakir Mahmood , Xuanhao Luo , Muhammad Shahzad

Dynamic graphs (DG) are often used to describe evolving interactions between nodes in real-world applications. Temporal patterns are a natural feature of DGs and are also key to representation learning. However, existing dynamic GCN models…

Machine Learning · Computer Science 2024-08-07 Ling Wang , Yixiang Huang , Hao Wu

Heterogeneous temporal graphs (HTGs) are ubiquitous data structures in the real world. Recently, to enhance representation learning on HTGs, numerous attention-based neural networks have been proposed. Despite these successes, existing…

Machine Learning · Computer Science 2025-10-22 Yili Wang , Tairan Huang , Changlong He , Qiutong Li , Jianliang Gao

Modelling dynamically evolving spatio-temporal signals is a prominent challenge in the Graph Neural Network (GNN) literature. Notably, GNNs assume an existing underlying graph structure. While this underlying structure may not always exist…

Machine Learning · Computer Science 2026-03-25 Om Roy , Yashar Moshfeghi , Keith Smith

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

Machine Learning · Computer Science 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, heavily relying on Clebsch-Gordan tensor product convolutions,…

Machine Learning · Computer Science 2025-09-30 Junyi An , Xinyu Lu , Chao Qu , Yunfei Shi , Peijia Lin , Qianwei Tang , Licheng Xu , Fenglei Cao , Yuan Qi

Skeleton-based Temporal Action Segmentation (STAS) aims to segment and recognize various actions from long, untrimmed sequences of human skeletal movements. Current STAS methods typically employ spatio-temporal modeling to establish…

Computer Vision and Pattern Recognition · Computer Science 2025-12-15 Haoyu Ji , Bowen Chen , Weihong Ren , Wenze Huang , Zhihao Yang , Zhiyong Wang , Honghai Liu

Although spatio-temporal graph neural networks have achieved great empirical success in handling multiple correlated time series, they may be impractical in some real-world scenarios due to a lack of sufficient high-quality training data.…

Signal Processing · Electrical Eng. & Systems 2021-02-10 Chao Pan , Siheng Chen , Antonio Ortega

Dynamic spatial graph construction is a challenge in graph neural network (GNN) for time series data problems. Although some adaptive graphs are conceivable, only a 2D graph is embedded in the network to reflect the current spatial…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Chengcheng Jia , Bo Wu , Xiao-Ping Zhang
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