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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…

机器学习 · 计算机科学 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

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…

机器学习 · 计算机科学 2022-10-14 Jiaqi Han , Wenbing Huang , Hengbo Ma , Jiachen Li , Joshua B. Tenenbaum , Chuang Gan

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

数值分析 · 数学 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

The behavior of many dynamical systems follow complex, yet still unknown partial differential equations (PDEs). While several machine learning methods have been proposed to learn PDEs directly from data, previous methods are limited to…

机器学习 · 计算机科学 2021-02-01 Valerii Iakovlev , Markus Heinonen , Harri Lähdesmäki

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…

机器学习 · 计算机科学 2026-04-16 Atamert Rahma , Chinmay Datar , Ana Cukarska , Felix Dietrich

Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

统计力学 · 物理学 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin

In this paper, we present a guide to the foundations of learning Dynamic Bayesian Networks (DBNs) from data in the form of multiple samples of trajectories for some length of time. We present the formalism for a generic as well as a set of…

机器学习 · 计算机科学 2024-09-02 Vyacheslav Kungurtsev , Fadwa Idlahcen , Petr Rysavy , Pavel Rytir , Ales Wodecki

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…

机器学习 · 计算机科学 2025-11-20 Vinay Sharma , Rémi Tanguy Oddon , Pietro Tesini , Jens Ravesloot , Cees Taal , Olga Fink

We present a novel variational framework for performing inference in (neural) stochastic differential equations (SDEs) driven by Markov-approximate fractional Brownian motion (fBM). SDEs offer a versatile tool for modeling real-world…

机器学习 · 计算机科学 2023-10-20 Rembert Daems , Manfred Opper , Guillaume Crevecoeur , Tolga Birdal

Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator. Due to physical constraints, the time step of the integrator need to be small to maintain sufficient…

计算物理 · 物理学 2021-12-22 Tianze Zheng , Weihao Gao , Chong Wang

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

机器学习 · 计算机科学 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei

The simulation of complex physical systems using a discretized mesh is a cornerstone of applied mechanics, but traditional numerical solvers are often computationally prohibitive for many-query tasks. While Graph Neural Networks (GNNs) have…

机器学习 · 计算机科学 2025-09-24 Kangzheng Liu , Leixin Ma

We propose a novel Stochastic Differential Equation (SDE) framework to address the problem of learning uncertainty-aware representations for graph-structured data. While Graph Neural Ordinary Differential Equations (GNODEs) have shown…

Multivariate time series forecasting is a challenging task because the data involves a mixture of long- and short-term patterns, with dynamic spatio-temporal dependencies among variables. Existing graph neural networks (GNN) typically model…

机器学习 · 计算机科学 2021-12-08 Zhuoling Li , Gaowei Zhang , Lingyu Xu , Jie Yu

This paper focuses on representation learning for dynamic graphs with temporal interactions. A fundamental issue is that both the graph structure and the nodes own their own dynamics, and their blending induces intractable complexity in the…

机器学习 · 计算机科学 2025-10-02 Tiexin Qin , Benjamin Walker , Terry Lyons , Hong Yan , Haoliang Li

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,…

机器学习 · 计算机科学 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi

We introduce Neural Dynamical Systems (NDS), a method of learning dynamical models in various gray-box settings which incorporates prior knowledge in the form of systems of ordinary differential equations. NDS uses neural networks to…

Neural Ordinary Differential Equations (N-ODEs) are a powerful building block for learning systems, which extend residual networks to a continuous-time dynamical system. We propose a Bayesian version of N-ODEs that enables well-calibrated…

机器学习 · 计算机科学 2020-02-19 Andreas Look , Melih Kandemir

Differential equations are widely used to describe complex dynamical systems with evolving parameters in nature and engineering. Effectively learning a family of maps from the parameter function to the system dynamics is of great…

机器学习 · 计算机科学 2025-03-12 Xin Li , Chengli Zhao , Xue Zhang , Xiaojun Duan

Continuous monitoring of the spatio-temporal dynamic behavior of critical infrastructure networks, such as the power systems, is a challenging but important task. In particular, accurate and timely prediction of the (electro-mechanical)…

系统与控制 · 电气工程与系统科学 2022-02-17 Sai Pushpak Nandanoori , Sheng Guan , Soumya Kundu , Seemita Pal , Khushbu Agarwal , Yinghui Wu , Sutanay Choudhury