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Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

机器学习 · 计算机科学 2020-12-15 Davide Buffelli , Fabio Vandin

Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…

机器学习 · 计算机科学 2023-08-29 Xiang Fu , Tian Xie , Nathan J. Rebello , Bradley D. Olsen , Tommi Jaakkola

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential…

图形学 · 计算机科学 2023-11-07 Oshri Halimi , Egor Larionov , Zohar Barzelay , Philipp Herholz , Tuur Stuyck

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

机器学习 · 计算机科学 2026-04-30 Jiahong Wang , Logan Numerow , Stelian Coros , Christian Theobalt , Vahid Babaei , Bernhard Thomaszewski

Mesh-based graph neural networks (GNNs) have become effective surrogates for PDE simulations, yet their deep message passing incurs high cost and over-smoothing on large, long-range meshes; hierarchical GNNs shorten propagation paths but…

机器学习 · 计算机科学 2025-09-16 Bo Lei , Victor M. Castillo , Yeping Hu

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T…

机器学习 · 计算机科学 2026-02-06 Mikel M. Iparraguirre , Iciar Alfaro , David Gonzalez , Elias Cueto

Recently, the application of machine learning models has gained momentum in natural sciences and engineering, which is a natural fit due to the abundance of data in these fields. However, the modeling of physical processes from simulation…

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…

地球物理 · 物理学 2023-09-26 Krishna Kumar , Yongjin Choi

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

机器学习 · 计算机科学 2022-05-23 Davide Buffelli , Fabio Vandin

In the area of physical simulations, nearly all neural-network-based methods directly predict future states from the input states. However, many traditional simulation engines instead model the constraints of the system and select the state…

机器学习 · 计算机科学 2022-01-31 Yulia Rubanova , Alvaro Sanchez-Gonzalez , Tobias Pfaff , Peter Battaglia

An important challenge in robotics is understanding the interactions between robots and deformable terrains that consist of granular material. Granular flows and their interactions with rigid bodies still pose several open questions. A…

机器学习 · 计算机科学 2021-11-22 Amin Haeri , Krzysztof Skonieczny

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…

机器学习 · 计算机科学 2022-11-21 Krishna Kumar , Joseph Vantassel

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn…

机器学习 · 计算机科学 2025-08-27 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

Learned graph neural networks (GNNs) have recently been established as fast and accurate alternatives for principled solvers in simulating the dynamics of physical systems. In many application domains across science and engineering,…

机器学习 · 计算机科学 2022-06-03 Qingqing Zhao , David B. Lindell , Gordon Wetzstein

Traditional simulation of complex mechanical systems relies on numerical solvers of Partial Differential Equations (PDEs), e.g., using the Finite Element Method (FEM). The FEM solvers frequently suffer from intensive computation cost and…

机器学习 · 计算机科学 2024-09-10 Fu Lin , Jiasheng Shi , Shijie Luo , Qinpei Zhao , Weixiong Rao , Lei Chen

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…

计算机视觉与模式识别 · 计算机科学 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

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…

机器学习 · 计算机科学 2024-11-15 Hoyun Choi , Sungyeop Lee , B. Kahng , Junghyo Jo

In recent years, there has been a growing interest in using machine learning to overcome the high cost of numerical simulation, with some learned models achieving impressive speed-ups over classical solvers whilst maintaining accuracy.…

机器学习 · 计算机科学 2022-10-04 Meire Fortunato , Tobias Pfaff , Peter Wirnsberger , Alexander Pritzel , Peter Battaglia

We address the problem of accelerating thin-shell deformable object simulations by dimension reduction. We present a new algorithm to embed a high-dimensional configuration space of deformable objects in a low-dimensional feature space,…

图形学 · 计算机科学 2020-03-02 Qingyang Tan , Zherong Pan , Lin Gao , Dinesh Manocha

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to…

机器学习 · 计算机科学 2025-02-12 Siqi Shen , Yu Liu , Daniel Biggs , Omar Hafez , Jiandong Yu , Wentao Zhang , Bin Cui , Jiulong Shan