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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

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

Machine Learning · Computer Science 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

Accurate prediction of structural displacements under external loading is fundamental to structural health monitoring and seismic safety assessment. Although the finite element method (FEM) remains the prevailing approach because of its…

Machine Learning · Computer Science 2026-05-12 Hung-Fu Chang , Tzu-Kang Lin , Yung-Li Cheng

Integrating trajectory prediction to the decision-making and planning modules of modular autonomous driving systems is expected to improve the safety and efficiency of self-driving vehicles. However, a vehicle's future trajectory prediction…

Robotics · Computer Science 2021-07-09 Xiaoyu Mo , Yang Xing , Chen Lv

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…

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

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

In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean…

Machine Learning · Computer Science 2023-11-07 Adil Mudasir Malla , Asif Ali Banka

Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Social and Information Networks · Computer Science 2020-06-19 Chengxi Zang , Fei Wang

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

The successful integration of machine learning models into decision support tools for grid operation hinges on effectively capturing the topological changes in daily operations. Frequent grid reconfigurations and N-k security analyses have…

Systems and Control · Electrical Eng. & Systems 2025-03-05 Agnes M. Nakiganda , Spyros Chatzivasileiadis

Graph Neural Networks (GNNs) resurge as a trending research subject owing to their impressive ability to capture representations from graph-structured data. However, the black-box nature of GNNs presents a significant challenge in terms of…

Machine Learning · Computer Science 2023-10-26 Tianchun Wang , Dongsheng Luo , Wei Cheng , Haifeng Chen , Xiang Zhang

This study aims to predict the spatio-temporal evolution of physical quantities observed in multi-layered display panels subjected to the drop impact of a ball. To model these complex interactions, graph neural networks have emerged as…

Computational Physics · Physics 2024-11-05 Jiyong Kim , Jangseop Park , Nayong Kim , Younyeol Yu , Kiseok Chang , Chang-Seung Woo , Sunwoong Yang , Namwoo Kang

Geometric graph neural networks (GNNs) that respect E(3) symmetries have achieved strong performance on small molecule modeling, but they face scalability and expressiveness challenges when applied to large biomolecules such as RNA and…

Biomolecules · Quantitative Biology 2025-06-26 Junjie Xu , Jiahao Zhang , Mangal Prakash , Xiang Zhang , Suhang Wang

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

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

Simulating complex unsteady physical phenomena relies on detailed mathematical models, simulated for instance by using the Finite Element Method (FEM). However, these models often exhibit discrepancies from the reality due to unmodeled…

Machine Learning · Computer Science 2026-05-25 M. Gorpinich , B. Moya , S. Rodriguez , F. Meraghni , Y. Jaafra , A. Briot , M. Henner , R. Leon , F. Chinesta

Graph neural networks (GNNs) have shown promise in learning unstructured mesh-based simulations of physical systems, including fluid dynamics. In tandem, geometric deep learning principles have informed the development of equivariant…

In robotics, it's crucial to understand object deformation during tactile interactions. A precise understanding of deformation can elevate robotic simulations and have broad implications across different industries. We introduce a method…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari