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Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Recently, Graph Neural Networks (GNNs) have become state-of-the-art algorithms for analyzing non-euclidean graph data. However, to realize efficient GNN training is challenging, especially on large graphs. The reasons are many-folded: 1)…

Machine Learning · Computer Science 2022-08-17 Zhe Zhou , Cong Li , Xuechao Wei , Xiaoyang Wang , Guangyu Sun

Accurately forecasting dynamic processes on graphs, such as traffic flow or disease spread, remains a challenge. While Graph Neural Networks (GNNs) excel at modeling and forecasting spatio-temporal data, they often lack the ability to…

Machine Learning · Computer Science 2024-08-30 Zakaria Elabid , Lena Sasal , Daniel Busby , Abdenour Hadid

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

Simulation of the dynamics of physical systems is essential to the development of both science and engineering. Recently there is an increasing interest in learning to simulate the dynamics of physical systems using neural networks.…

Machine Learning · Computer Science 2022-01-31 Ce Yang , Weihao Gao , Di Wu , Chong Wang

Graph Neural Networks (GNNs) have shown significant promise in various domains, such as recommendation systems, bioinformatics, and network analysis. However, the irregularity of graph data poses unique challenges for efficient computation,…

Machine Learning · Computer Science 2024-11-26 Pol Puigdemont , Enrico Russo , Axel Wassington , Abhijit Das , Sergi Abadal , Maurizio Palesi

Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

Machine Learning · Computer Science 2026-02-10 Jianchuan Yang , Xi Chen , Jidong Zhao

Recent developments in Machine Learning approaches for modelling physical systems have begun to mirror the past development of numerical methods in the computational sciences. In this survey, we begin by providing an example of this with…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Ludger Paehler , Andrea Panizza , Nikolaus A. Adams

Simulating the evolution of the gravitational N-body problem becomes extremely computationally expensive as N increases since the problem complexity scales quadratically with the number of bodies. We study the use of Artificial Neural…

Earth and Planetary Astrophysics · Physics 2023-11-01 Veronica Saz Ulibarrena , Philipp Horn , Simon Portegies Zwart , Elena Sellentin , Barry Koren , Maxwell X. Cai

Real-time particle transverse momentum ($p_T$) estimation in high-energy physics demands algorithms that are both efficient and accurate under strict hardware constraints. Static machine learning models degrade under high pileup and lack…

Machine Learning · Computer Science 2026-04-21 Md Abrar Jahin , Shahriar Soudeep , M. F. Mridha , Muhammad Mostafa Monowar , Md. Abdul Hamid

We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…

Correctly capturing intraoperative brain shift in image-guided neurosurgical procedures is a critical task for aligning preoperative data with intraoperative geometry for ensuring accurate surgical navigation. While the finite element…

Image and Video Processing · Electrical Eng. & Systems 2022-10-18 Yasmin Salehi , Dennis Giannacopoulos

Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

Machine Learning · Computer Science 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

Soft tissue simulation in virtual environments is becoming increasingly important for medical applications. However, the high deformability of soft tissue poses significant challenges. Existing methods rely on segmentation, meshing and…

Machine Learning · Computer Science 2025-08-08 Madina Kojanazarova , Florentin Bieder , Robin Sandkühler , Philippe C. Cattin

Graph Neural Networks (GNNs) have demonstrated effectiveness in various graph-based tasks. However, their inefficiency in training and inference presents challenges for scaling up to real-world and large-scale graph applications. To address…

Machine Learning · Computer Science 2024-05-08 Lu Ma , Zeang Sheng , Xunkai Li , Xinyi Gao , Zhezheng Hao , Ling Yang , Wentao Zhang , Bin Cui

Breast compression simulation is essential for accurate image registration from 3D modalities to X-ray procedures like mammography. It accounts for tissue shape and position changes due to compression, ensuring precise alignment and…

Computer Vision and Pattern Recognition · Computer Science 2024-11-12 Hadeel Awwad , Eloy García , Robert Martí

Graph neural networks (GNNs) have shown significant accuracy improvements in a variety of graph learning domains, sparking considerable research interest. To translate these accuracy improvements into practical applications, it is essential…

Hardware Architecture · Computer Science 2023-08-17 Shuwen Lu , Zhihui Zhang , Cong Guo , Jingwen Leng , Yangjie Zhou , Minyi Guo

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

Learning dynamical systems that respect physical symmetries and constraints remains a fundamental challenge in data-driven modeling. Integrating physical laws with graph neural networks facilitates principled modeling of complex N-body…

Machine Learning · Computer Science 2026-04-16 Atamert Rahma , Chinmay Datar , Ana Cukarska , Felix Dietrich

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