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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

Learning complex multi-agent system dynamics from data is crucial across many domains, such as in physical simulations and material modeling. Extended from purely data-driven approaches, existing physics-informed approaches such as…

Machine Learning · Computer Science 2023-10-11 Zijie Huang , Wanjia Zhao , Jingdong Gao , Ziniu Hu , Xiao Luo , Yadi Cao , Yuanzhou Chen , Yizhou Sun , Wei Wang

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

We propose a systematic method for learning stable and physically interpretable dynamical models using sampled trajectory data from physical processes based on a generalized Onsager principle. The learned dynamics are autonomous ordinary…

Dynamical Systems · Mathematics 2021-11-25 Haijun Yu , Xinyuan Tian , Weinan E , Qianxiao Li

This paper addresses the challenge of out-of-distribution (OOD) generalization in graph machine learning, a field rapidly advancing yet grappling with the discrepancy between source and target data distributions. Traditional graph learning…

Machine Learning · Computer Science 2024-08-09 Xin Sun , Liang Wang , Qiang Liu , Shu Wu , Zilei Wang , Liang Wang

Random ordinary differential equations (RODEs), i.e. ODEs with random parameters, are often used to model complex dynamics. Most existing methods to identify unknown governing RODEs from observed data often rely on strong prior knowledge.…

Numerical Analysis · Mathematics 2020-06-04 Junyu Liu , Zichao Long , Ranran Wang , Jie Sun , Bin Dong

This paper addresses imitation learning for motion prediction problem in autonomous driving, especially in multi-agent setting. Different from previous methods based on GAN, we present the conditional latent ordinary differential equation…

Robotics · Computer Science 2024-05-30 Khang Truong Giang , Yongjae Kim , Andrea Finazzi

Graphs are a fundamental data structure for representing relational information in domains such as social networks, molecular systems, and knowledge graphs. However, graph learning models often suffer from limited generalization when…

Machine Learning · Computer Science 2026-01-30 Haoyang Li , Haibo Chen , Xin Wang , Wenwu Zhu

Generalization has been one of the major challenges for learning dynamics models in model-based reinforcement learning. However, previous work on action-conditioned dynamics prediction focuses on learning the pixel-level motion and thus…

Computer Vision and Pattern Recognition · Computer Science 2018-10-31 Guangxiang Zhu , Zhiao Huang , Chongjie Zhang

Existing methods for graph out-of-distribution (OOD) generalization primarily rely on empirical studies on synthetic datasets. Such approaches tend to overemphasize the causal relationships between invariant sub-graphs and labels, thereby…

Machine Learning · Computer Science 2025-07-08 Can Xu , Yao Cheng , Jianxiang Yu , Haosen Wang , Jingsong Lv , Yao Liu , Xiang Li

Modeling the evolution of system with time-series data is a challenging and critical task in a wide range of fields, especially when the time-series data is regularly sampled and partially observable. Some methods have been proposed to…

Machine Learning · Computer Science 2024-12-03 Mengbang Zou , Weisi Guo

Neural Ordinary Differential Equations (ODE) are a promising approach to learn dynamic models from time-series data in science and engineering applications. This work aims at learning Neural ODE for stiff systems, which are usually raised…

Numerical Analysis · Mathematics 2021-10-04 Suyong Kim , Weiqi Ji , Sili Deng , Yingbo Ma , Christopher Rackauckas

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Accurate forecasting of energy demand and supply is critical for optimizing sustainable energy systems, yet it is challenged by the variability of renewable sources and dynamic consumption patterns. This paper introduces a neural framework…

Machine Learning · Computer Science 2025-07-15 Usman Gani Joy

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

Machine Learning · Computer Science 2023-10-27 Hyungeun Lee , Kijung Yoon

Owing to the remarkable development of deep learning technology, there have been a series of efforts to build deep learning-based climate models. Whereas most of them utilize recurrent neural networks and/or graph neural networks, we design…

Machine Learning · Computer Science 2021-11-12 Jeehyun Hwang , Jeongwhan Choi , Hwangyong Choi , Kookjin Lee , Dongeun Lee , Noseong Park

Graph machine learning (GML) has been successfully applied across a wide range of tasks. Nonetheless, GML faces significant challenges in generalizing over out-of-distribution (OOD) data, which raises concerns about its wider applicability.…

Machine Learning · Computer Science 2024-10-17 Jing Ma

Learning to cooperate is crucially important in multi-agent environments. The key is to understand the mutual interplay between agents. However, multi-agent environments are highly dynamic, where agents keep moving and their neighbors…

Machine Learning · Computer Science 2020-02-12 Jiechuan Jiang , Chen Dun , Tiejun Huang , Zongqing Lu

Utilizing machine learning to address partial differential equations (PDEs) presents significant challenges due to the diversity of spatial domains and their corresponding state configurations, which complicates the task of encompassing all…

Machine Learning · Computer Science 2024-05-28 Masanobu Horie , Naoto Mitsume

Natural physical, chemical, and biological dynamical systems are often complex, with heterogeneous components interacting in diverse ways. We show how simple graph neural networks can be designed to jointly learn the interaction rules and…