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Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

Machine Learning · Computer Science 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Recently, physiological data such as electroencephalography (EEG) signals have attracted significant attention in affective computing. In this context, the main goal is to design an automated model that can assess emotional states. Lately,…

Machine Learning · Computer Science 2023-07-07 Shadi Sartipi , Mastaneh Torkamani-Azar , Mujdat Cetin

Integrating prior knowledge of neurophysiology into neural network architecture enhances the performance of emotion decoding. While numerous techniques emphasize learning spatial and short-term temporal patterns, there has been limited…

Machine Learning · Computer Science 2025-03-18 Yi Ding , Chengxuan Tong , Shuailei Zhang , Muyun Jiang , Yong Li , Kevin Lim Jun Liang , Cuntai Guan

Graph neural networks (GNN) have shown significant capabilities in handling structured data, yet their application to dynamic, temporal data remains limited. This paper presents a new type of graph attention network, called TempoKGAT, which…

Machine Learning · Computer Science 2024-12-24 Lena Sasal , Daniel Busby , Abdenour Hadid

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Accurately simulating soft tissue deformation is crucial for surgical training, pre-operative planning, and real-time haptic feedback systems. While physics-based models such as the finite element method (FEM) provide high-fidelity results,…

Image and Video Processing · Electrical Eng. & Systems 2025-09-23 Madina Kojanazarova , Sidaty El Hadramy , Jack Wilkie , Georg Rauter , Philippe C. Cattin

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate…

Machine Learning · Computer Science 2026-04-21 Abeer Mostafa , Raneen Younis , Zahra Ahmadi

Scene graphs have proven to be highly effective for various scene understanding tasks due to their compact and explicit representation of relational information. However, current methods often overlook the critical importance of preserving…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Quang P. M. Pham , Khoi T. N. Nguyen , Lan C. Ngo , Truong Do , Dezhen Song , Truong-Son Hy

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

Machine Learning · Computer Science 2022-03-29 Johannes Brandstetter , Rob Hesselink , Elise van der Pol , Erik J Bekkers , Max Welling

Equivariant Graph neural Networks (EGNs) are powerful in characterizing the dynamics of multi-body physical systems. Existing EGNs conduct flat message passing, which, yet, is unable to capture the spatial/dynamical hierarchy for complex…

Machine Learning · Computer Science 2022-10-18 Jiaqi Han , Wenbing Huang , Tingyang Xu , Yu Rong

Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries. Recent works have led to a surge in the development of…

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of…

Machine Learning · Computer Science 2024-03-13 Yang Liu , Jiashun Cheng , Haihong Zhao , Tingyang Xu , Peilin Zhao , Fugee Tsung , Jia Li , Yu Rong

Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model…

Machine Learning · Computer Science 2022-10-14 Jiaqi Han , Wenbing Huang , Hengbo Ma , Jiachen Li , Joshua B. Tenenbaum , Chuang Gan

Forecasting spatio-temporal correlated time series of sensor values is crucial in urban applications, such as air pollution alert, biking resource management, and intelligent transportation systems. While recent advances exploit graph…

Machine Learning · Computer Science 2021-02-01 Yi-Ju Lu , Cheng-Te Li

With recent advances in sensing technologies, a myriad of spatio-temporal data has been generated and recorded in smart cities. Forecasting the evolution patterns of spatio-temporal data is an important yet demanding aspect of urban…

Machine Learning · Computer Science 2023-11-27 Guangyin Jin , Yuxuan Liang , Yuchen Fang , Zezhi Shao , Jincai Huang , Junbo Zhang , Yu Zheng

Spatio-temporal graph signal analysis has a significant impact on a wide range of applications, including hand/body pose action recognition. To achieve effective analysis, spatio-temporal graph convolutional networks (ST-GCN) leverage the…

Computer Vision and Pattern Recognition · Computer Science 2021-10-26 Zida Cheng , Siheng Chen , Ya Zhang

Travel time estimation is one of the core tasks for the development of intelligent transportation systems. Most previous works model the road segments or intersections separately by learning their spatio-temporal characteristics to estimate…

Artificial Intelligence · Computer Science 2023-11-16 Guangyin Jin , Huan Yan , Fuxian Li , Jincai Huang , Yong Li

Motor imagery classification is of great significance to humans with mobility impairments, and how to extract and utilize the effective features from motor imagery electroencephalogram(EEG) channels has always been the focus of attention.…

Signal Processing · Electrical Eng. & Systems 2021-09-10 Yan Li , Ning Zhong , David Taniar , Haolan Zhang