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This work proposes a novel methodology for turbulence modeling in Large Eddy Simulation (LES) based on Graph Neural Networks (GNNs), which embeds the discrete rotational, reflectional and translational symmetries of the Navier-Stokes…

Fluid Dynamics · Physics 2025-04-11 Marius Kurz , Andrea Beck , Benjamin Sanderse

Dynamic graph embedding has emerged as a very effective technique for addressing diverse temporal graph analytic tasks (i.e., link prediction, node classification, recommender systems, anomaly detection, and graph generation) in various…

Machine Learning · Computer Science 2023-12-27 Alan John Varghese , Aniruddha Bora , Mengjia Xu , George Em Karniadakis

Spatial-Temporal Graph (STG) data is characterized as dynamic, heterogenous, and non-stationary, leading to the continuous challenge of spatial-temporal graph learning. In the past few years, various GNN-based methods have been proposed to…

Machine Learning · Computer Science 2024-05-21 Lincan Li , Hanchen Wang , Wenjie Zhang , Adelle Coster

We propose a class of trainable deep learning-based geometries called Neural Spacetimes (NSTs), which can universally represent nodes in weighted directed acyclic graphs (DAGs) as events in a spacetime manifold. While most works in the…

Machine Learning · Computer Science 2025-03-11 Haitz Sáez de Ocáriz Borde , Anastasis Kratsios , Marc T. Law , Xiaowen Dong , Michael Bronstein

Temporal graph neural networks have shown promising results in learning inductive representations by automatically extracting temporal patterns. However, previous works often rely on complex memory modules or inefficient random walk methods…

Machine Learning · Computer Science 2024-01-10 Mohammad Ali Alomrani , Mahdi Biparva , Yingxue Zhang , Mark Coates

Traffic forecasting is a core element of intelligent traffic monitoring system. Approaches based on graph neural networks have been widely used in this task to effectively capture spatial and temporal dependencies of road networks. However,…

Machine Learning · Computer Science 2022-03-10 Yaobin Xu , Weitang Liu , Zhongyi Jiang , Zixuan Xu , Tingyun Mao , Lili Chen , Mingwei Zhou

The accuracy of density functional theory hinges on the approximation of non-local contributions to the exchange-correlation (XC) functional. To date, machine-learned and human-designed approximations suffer from insufficient accuracy,…

Machine Learning · Computer Science 2025-05-19 Nicholas Gao , Eike Eberhard , Stephan Günnemann

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

In the realm of 5G communication systems, the accuracy of Channel State Information (CSI) prediction is vital for optimizing performance. This letter introduces a pioneering approach: the Spectral-Temporal Graph Neural Network (STEM GNN),…

Information Theory · Computer Science 2023-12-06 Sharan Mourya , Pavan Reddy , SaiDhiraj Amuru , Kiran Kumar Kuchi

Dynamic GNNs, which integrate temporal and spatial features in Electroencephalography (EEG) data, have shown great potential in automating seizure detection. However, fully capturing the underlying dynamics necessary to represent brain…

Machine Learning · Computer Science 2025-10-28 Rikuto Kotoge , Zheng Chen , Tasuku Kimura , Yasuko Matsubara , Takufumi Yanagisawa , Haruhiko Kishima , Yasushi Sakurai

Graph simulation has recently received a surge of attention in graph processing and analytics. In real-life applications, e.g. social science, biology, and chemistry, many graphs are composed of a series of evolving graphs (i.e., temporal…

Machine Learning · Computer Science 2025-10-08 Sheng Xiang , Chenhao Xu , Dawei Cheng , Xiaoyang Wang , Ying Zhang

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

Machine Learning · Computer Science 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang

Spatiotemporal graph convolutional networks (STGCNs) have emerged as a desirable model for skeleton-based human action recognition. Despite achieving state-of-the-art performance, there is a limited understanding of the representations…

Image and Video Processing · Electrical Eng. & Systems 2023-12-14 Pratyusha Das , Sarath Shekkizhar , Antonio Ortega

Dynamic graph augmentation is used to improve the performance of dynamic GNNs. Most methods assume temporal locality, meaning that recent edges are more influential than earlier edges. However, for temporal changes in edges caused by random…

Machine Learning · Computer Science 2025-01-20 Xu Chu , Hanlin Xue , Bingce Wang , Xiaoyang Liu , Weiping Li , Tong Mo , Tuoyu Feng , Zhijie Tan

Representing the nodes of continuous-time temporal graphs in a low-dimensional latent space has wide-ranging applications, from prediction to visualization. Yet, analyzing continuous-time relational data with timestamped interactions…

Machine Learning · Computer Science 2024-05-28 Raphaël Romero , Jefrey Lijffijt , Riccardo Rastelli , Marco Corneli , Tijl De Bie

The accurate description of electrostatic interactions remains a challenging problem for fitted potential-energy functions. The commonly used fixed partial-charge approximation fails to reproduce the electrostatic potential at short range…

Chemical Physics · Physics 2022-04-05 Moritz Thürlemann , Lennard Böselt , Sereina Riniker

Learning efficient graph representation is the key to favorably addressing downstream tasks on graphs, such as node or graph property prediction. Given the non-Euclidean structural property of graphs, preserving the original graph data's…

Machine Learning · Computer Science 2022-05-31 Bingxin Zhou , Xuebin Zheng , Yu Guang Wang , Ming Li , Junbin Gao

Neural networks that are equivariant to rotations, translations, reflections, and permutations on n-dimensional geometric space have shown promise in physical modeling for tasks such as accurately but inexpensively modeling complex…

Machine Learning · Computer Science 2023-01-25 Yuanqing Wang , John D. Chodera

The characterisation of the brain as a functional network in which the connections between brain regions are represented by correlation values across time series has been very popular in the last years. Although this representation has…

Machine Learning · Computer Science 2021-09-28 Ahmed El-Gazzar , Rajat Mani Thomas , Guido van Wingen

As a decisive part in the success of Mobility-as-a-Service (MaaS), spatio-temporal predictive modeling for crowd movements is a challenging task particularly considering scenarios where societal events drive mobility behavior deviated from…

Machine Learning · Computer Science 2021-12-17 Zhaonan Wang , Renhe Jiang , Hao Xue , Flora D. Salim , Xuan Song , Ryosuke Shibasaki
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