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Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations,…

Machine Learning · Computer Science 2024-06-11 Liming Wu , Zhichao Hou , Jirui Yuan , Yu Rong , Wenbing Huang

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of…

Machine Learning · Computer Science 2024-03-13 Yang Liu , Jiashun Cheng , Haihong Zhao , Tingyang Xu , Peilin Zhao , Fugee Tsung , Jia Li , Yu Rong

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

We propose a general architecture that combines the coefficient learning scheme with a residual operator layer for learning mappings between continuous functions in the 3D Euclidean space. Our proposed model is guaranteed to achieve…

Machine Learning · Computer Science 2023-11-21 Chaoran Cheng , Jian Peng

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures…

Machine Learning · Computer Science 2024-02-20 Thuan Trang , Nhat Khang Ngo , Daniel Levy , Thieu N. Vo , Siamak Ravanbakhsh , Truong Son Hy

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

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

Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model…

Machine Learning · Computer Science 2022-10-14 Jiaqi Han , Wenbing Huang , Hengbo Ma , Jiachen Li , Joshua B. Tenenbaum , Chuang Gan

We propose the geometry-informed neural operator (GINO), a highly efficient approach to learning the solution operator of large-scale partial differential equations with varying geometries. GINO uses a signed distance function and…

Learning representations through deep generative modeling is a powerful approach for dynamical modeling to discover the most simplified and compressed underlying description of the data, to then use it for other tasks such as prediction.…

Machine Learning · Computer Science 2022-03-01 Bahar Azari , Deniz Erdoğmuş

We contribute to the vastly growing field of machine learning for engineering systems by demonstrating that equivariant graph neural networks have the potential to learn more accurate dynamic-interaction models than their non-equivariant…

Machine Learning · Computer Science 2023-05-26 Artur P. Toshev , Gianluca Galletti , Johannes Brandstetter , Stefan Adami , Nikolaus A. Adams

Scene graphs have proven to be highly effective for various scene understanding tasks due to their compact and explicit representation of relational information. However, current methods often overlook the critical importance of preserving…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Quang P. M. Pham , Khoi T. N. Nguyen , Lan C. Ngo , Truong Do , Dezhen Song , Truong-Son Hy

Learning data-efficient object dynamics models for robotic manipulation remains challenging, especially for deformable objects. A popular approach is to model objects as sets of 3D particles and learn their motion using graph neural…

Robotics · Computer Science 2026-05-05 Sergio Orozco , Tushar Kusnur , Brandon May , George Konidaris , Laura Herlant

We contribute to the vastly growing field of machine learning for engineering systems by demonstrating that equivariant graph neural networks have the potential to learn more accurate dynamic-interaction models than their non-equivariant…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Gianluca Galletti , Johannes Brandstetter , Stefan Adami , Nikolaus A. Adams

Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…

Machine Learning · Computer Science 2025-11-25 Qingyun Sun , Jiayi Luo , Haonan Yuan , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Pengwei Liu , Xingyu Ren , Pengkai Wang , Hangjie Yuan , Zhongkai Hao , Guanyu Chen , Chao Xu , Dong Ni , Shengze Cai

Accurate real-time modeling of multi-body dynamical systems is essential for enabling digital twin applications across industries. While many data-driven approaches aim to learn system dynamics, jointly predicting internal loads and system…

Machine Learning · Computer Science 2025-11-20 Vinay Sharma , Rémi Tanguy Oddon , Pietro Tesini , Jens Ravesloot , Cees Taal , Olga Fink

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require…

Machine Learning · Computer Science 2025-10-23 Philipp Dahlinger , Tai Hoang , Denis Blessing , Niklas Freymuth , Gerhard Neumann

Scientific machine learning has seen significant progress with the emergence of operator learning. However, existing methods encounter difficulties when applied to problems on unstructured grids and irregular domains. Spatial graph neural…

Machine Learning · Computer Science 2024-09-04 Subhankar Sarkar , Souvik Chakraborty
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