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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

Numerical simulation is a predominant tool for studying the dynamics in complex systems, but large-scale simulations are often intractable due to computational limitations. Here, we introduce the Neural Graph Simulator (NGS) for simulating…

Machine Learning · Computer Science 2024-11-15 Hoyun Choi , Sungyeop Lee , B. Kahng , Junghyo Jo

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

Enabling robots to perform complex dynamic tasks such as picking up an object in one sweeping motion or pushing off a wall to quickly turn a corner is a challenging problem. The dynamic interactions implicit in these tasks are critical…

Robotics · Computer Science 2022-10-03 Saumya Saxena , Oliver Kroemer

Predicting the dynamic behaviors of particles in suspension subject to hydrodynamic interaction (HI) and external drive can be critical for many applications. By harvesting advanced deep learning techniques, the present work introduces a…

Machine Learning · Computer Science 2022-08-24 Zhan Ma , Zisheng Ye , Wenxiao Pan

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

The dynamics of information diffusion within graphs is a critical open issue that heavily influences graph representation learning, especially when considering long-range propagation. This calls for principled approaches that control and…

Machine Learning · Computer Science 2025-02-14 Simon Heilig , Alessio Gravina , Alessandro Trenta , Claudio Gallicchio , Davide Bacciu

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks…

Machine Learning · Computer Science 2023-02-03 Abishek Thangamuthu , Gunjan Kumar , Suresh Bishnoi , Ravinder Bhattoo , N M Anoop Krishnan , Sayan Ranu

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

Simulating dynamic physical interactions is a critical challenge across multiple scientific domains, with applications ranging from robotics to material science. For mesh-based simulations, Graph Network Simulators (GNSs) pose an efficient…

Machine Learning · Computer Science 2023-11-10 Philipp Dahlinger , Niklas Freymuth , Michael Volpp , Tai Hoang , Gerhard Neumann

Feature-based image matching has extensive applications in computer vision. Keypoints detected in images can be naturally represented as graph structures, and Graph Neural Networks (GNNs) have been shown to outperform traditional deep…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Xianfeng Song , Yi Zou , Zheng Shi , Zheng Liu

Lattice Hamiltonian systems underpin models across condensed matter, nonlinear optics, and biophysics, yet learning their dynamics from data is obstructed by two unknowns: the interaction topology and whether node dynamics are homogeneous.…

Machine Learning · Computer Science 2026-04-28 Ru Geng , Panayotis Kevrekidis , Yixian Gao , Hong-Kun Zhang , Jian Zu

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

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

Modeling the structure and events of the physical world constitutes a fundamental objective of neural networks. Among the diverse approaches, Graph Network Simulators (GNS) have emerged as the leading method for modeling physical phenomena,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-07 Sheng Yang , Fengge Wu , Junsuo Zhao

Rigid body interactions are fundamental to numerous scientific disciplines, but remain challenging to simulate due to their abrupt nonlinear nature and sensitivity to complex, often unknown environmental factors. These challenges call for…

Machine Learning · Computer Science 2025-07-28 Amaury Wei , Olga Fink

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

Machine Learning · Computer Science 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…

Machine Learning · Computer Science 2022-11-21 Krishna Kumar , Joseph Vantassel

Accurate, interpretable, and real-time modeling of multi-body dynamical systems is essential for predicting behaviors and inferring physical properties in natural and engineered environments. Traditional physics-based models face…

Machine Learning · Computer Science 2025-09-24 Vinay Sharma , Olga Fink

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf
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