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This work focuses on learning non-canonical Hamiltonian dynamics from data, where long-term predictions require the preservation of structure both in the learned model and in numerical schemes. Previous research focused on either facet,…

Machine Learning · Computer Science 2025-10-03 Clémentine Courtès , Emmanuel Franck , Michael Kraus , Laurent Navoret , Léopold Trémant

Continual learning on graphs tackles the problem of training a graph neural network (GNN) where graph data arrive in a streaming fashion and the model tends to forget knowledge from previous tasks when updating with new data. Traditional…

Machine Learning · Computer Science 2024-01-09 Xiaoxue Han , Zhuo Feng , Yue Ning

This paper studies the problem of modeling multi-agent dynamical systems, where agents could interact mutually to influence their behaviors. Recent research predominantly uses geometric graphs to depict these mutual interactions, which are…

Machine Learning · Computer Science 2024-06-28 Xiao Luo , Yiyang Gu , Huiyu Jiang , Hang Zhou , Jinsheng Huang , Wei Ju , Zhiping Xiao , Ming Zhang , Yizhou Sun

Graph Neural Networks (GNNs) are emerging as a powerful tool for learning from graph-structured data and performing sophisticated inference tasks in various application domains. Although GNNs have been shown to be effective on modest-sized…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-29 Jeongmin Brian Park , Vikram Sharma Mailthody , Zaid Qureshi , Wen-mei Hwu

Graph neural networks (GNNs) have achieved strong performance in various applications. In the real world, network data is usually formed in a streaming fashion. The distributions of patterns that refer to neighborhood information of nodes…

Machine Learning · Computer Science 2020-12-07 Junshan Wang , Guojie Song , Yi Wu , Liang Wang

The time evolution of physical systems is described by differential equations, which depend on abstract quantities like energy and force. Traditionally, these quantities are derived as functionals based on observables such as positions and…

Machine Learning · Computer Science 2023-07-12 Suresh Bishnoi , Ravinder Bhattoo , Jayadeva , Sayan Ranu , N M Anoop Krishnan

The Hamiltonian formalism plays a central role in classical and quantum physics. Hamiltonians are the main tool for modelling the continuous time evolution of systems with conserved quantities, and they come equipped with many useful…

Machine Learning · Computer Science 2020-02-17 Peter Toth , Danilo Jimenez Rezende , Andrew Jaegle , Sébastien Racanière , Aleksandar Botev , Irina Higgins

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…

Machine Learning · Computer Science 2025-09-24 Kangzheng Liu , Leixin Ma

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…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

Physics-informed neural network architectures have emerged as a powerful tool for developing flexible PDE solvers which easily assimilate data, but face challenges related to the PDE discretization underpinning them. By instead adapting a…

Numerical Analysis · Mathematics 2020-12-11 Ravi G. Patel , Indu Manickam , Nathaniel A. Trask , Mitchell A. Wood , Myoungkyu Lee , Ignacio Tomas , Eric C. Cyr

Learning the physical simulation on large-scale meshes with flat Graph Neural Networks (GNNs) and stacking Message Passings (MPs) is challenging due to the scaling complexity w.r.t. the number of nodes and over-smoothing. There has been…

Machine Learning · Computer Science 2026-05-27 Yadi Cao , Menglei Chai , Minchen Li , Chenfanfu Jiang

The last few years have seen an increasing wave of attacks with serious economic and privacy damages, which evinces the need for accurate Network Intrusion Detection Systems (NIDS). Recent works propose the use of Machine Learning (ML)…

Cryptography and Security · Computer Science 2021-08-02 David Pujol-Perich , José Suárez-Varela , Albert Cabellos-Aparicio , Pere Barlet-Ros

High-fidelity physics simulation is essential for scalable robotic learning, but the sim-to-real gap persists, especially for tasks involving complex, dynamic, and discontinuous interactions like physical contacts. Explicit system…

Robotics · Computer Science 2026-01-21 Changwei Jing , Jai Krishna Bandi , Jianglong Ye , Yan Duan , Pieter Abbeel , Xiaolong Wang , Sha Yi

Driven by the increasing volume of recorded data, the demand for simulation from experiments based at the Large Hadron Collider will rise sharply in the coming years. Addressing this demand solely with existing computationally intensive…

Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation…

Machine Learning · Computer Science 2024-08-14 Amr Alkhatib , Sofiane Ennadir , Henrik Boström , Michalis Vazirgiannis

Implicit graph neural networks (IGNNs), which exhibit strong expressive power with a single layer, have recently demonstrated remarkable performance in capturing long-range dependencies (LRD) in underlying graphs while effectively…

Machine Learning · Computer Science 2025-02-19 Junchao Lin , Zenan Ling , Zhanbo Feng , Jingwen Xu , Minxuan Liao , Feng Zhou , Tianqi Hou , Zhenyu Liao , Robert C. Qiu

Concept drift and extreme verification latency pose significant challenges in data stream learning, particularly when dealing with recurring concept changes in dynamic environments. This work introduces a novel method based on the Growing…

Machine Learning · Computer Science 2025-04-11 Maria Arostegi , Miren Nekane Bilbao , Jesus L. Lobo , Javier Del Ser

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Most physical processes posses structural properties such as constant energies, volumes, and other invariants over time. When learning models of such dynamical systems, it is critical to respect these invariants to ensure accurate…

Machine Learning · Computer Science 2022-01-11 Katharina Ensinger , Friedrich Solowjow , Sebastian Ziesche , Michael Tiemann , Sebastian Trimpe

In recent years, nonlinear dynamic system identification using artificial neural networks has garnered attention due to its broad potential applications across science and engineering. However, purely data-driven approaches often struggle…

Machine Learning · Computer Science 2025-11-06 Fabian J. Roth , Dominik K. Klein , Maximilian Kannapinn , Jan Peters , Oliver Weeger