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Graph Neural Networks (GNNs) have shown success in various fields for learning from graph-structured data. This paper investigates the application of ensemble learning techniques to improve the performance and robustness of Graph Neural…

机器学习 · 计算机科学 2023-10-24 Zhen Hao Wong , Ling Yue , Quanming Yao

The theory-guided neural network (TgNN) is a kind of method which improves the effectiveness and efficiency of neural network architectures by incorporating scientific knowledge or physical information. Despite its great success, the…

机器学习 · 计算机科学 2022-06-14 Miao Rong , Dongxiao Zhang , Nanzhe Wang

Tensegrity robots are composed of rigid struts and flexible cables. They constitute an emerging class of hybrid rigid-soft robotic systems and are promising systems for a wide array of applications, ranging from locomotion to assembly. They…

机器人学 · 计算机科学 2024-10-17 Nelson Chen , Kun Wang , William R. Johnson , Rebecca Kramer-Bottiglio , Kostas Bekris , Mridul Aanjaneya

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate…

Model-based controllers can offer strong guarantees on stability and convergence by relying on physically accurate dynamic models. However, these are rarely available for high-dimensional mechanical systems such as deformable objects or…

机器人学 · 计算机科学 2026-02-10 Katharina Friedl , Noémie Jaquier , Seungyeon Kim , Jens Lundell , Danica Kragic

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

The regression of multiple inter-connected sequence data is a problem in various disciplines. Formally, we name the regression problem of multiple inter-connected data entities as the "dynamic network regression" in this paper. Within the…

机器学习 · 计算机科学 2020-10-19 Yixin Chen , Lin Meng , Jiawei Zhang

Implicit graph neural networks have gained popularity in recent years as they capture long-range dependencies while improving predictive performance in static graphs. Despite the tussle between performance degradation due to the…

机器学习 · 计算机科学 2024-06-27 Yongjian Zhong , Hieu Vu , Tianbao Yang , Bijaya Adhikari

Graph neural networks (GNNs) are an emerging model for learning graph embeddings and making predictions on graph structured data. However, robustness of graph neural networks is not yet well-understood. In this work, we focus on node…

机器学习 · 计算机科学 2019-12-24 James Fox , Sivasankaran Rajamanickam

The fundamental laws of physics are intrinsically geometric, dictating the evolution of systems through principles of symmetry and conservation. While modern machine learning offers powerful tools for modeling complex dynamics from data,…

机器学习 · 计算机科学 2025-07-22 Amine Mohamed Aboussalah , Abdessalam Ed-dib

This article investigates the modeling and control of Lagrangian systems involving non-conservative forces using a hybrid method that does not require acceleration calculations. It focuses in particular on the derivation and identification…

系统与控制 · 电气工程与系统科学 2025-12-03 Ibrahim Laiche , Mokrane Boudaoud , Patrick Gallinari , Pascal Morin

The rapid growth of research in exploiting machine learning to predict chaotic systems has revived a recent interest in Hamiltonian Neural Networks (HNNs) with physical constraints defined by the Hamilton's equations of motion, which…

机器学习 · 计算机科学 2021-06-02 Chen-Di Han , Bryan Glaz , Mulugeta Haile , Ying-Cheng Lai

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

机器学习 · 计算机科学 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Deep learning has achieved astonishing results on many tasks with large amounts of data and generalization within the proximity of training data. For many important real-world applications, these requirements are unfeasible and additional…

机器学习 · 计算机科学 2019-07-11 Michael Lutter , Christian Ritter , Jan Peters

Link prediction is a fundamental task in graph learning, inherently shaped by the topology of the graph. While traditional heuristics are grounded in graph topology, they encounter challenges in generalizing across diverse graphs. Recent…

机器学习 · 计算机科学 2024-06-18 Juzheng Zhang , Lanning Wei , Zhen Xu , Quanming Yao

This paper presents a novel approach for accelerating n-body simulations by integrating a physics-informed graph neural networks (GNN) with traditional numerical methods. Our method implements a leapfrog-based simulation engine to generate…

机器学习 · 计算机科学 2025-04-03 Víctor Ramos-Osuna , Alberto Díaz-Álvarez , Raúl Lara-Cabrera

Graph neural networks (GNNs) have shown promise in learning the ground-state electronic properties of materials, subverting ab initio density functional theory (DFT) calculations when the underlying lattices can be represented as small…

Scalable and symmetry-consistent force-field models are essential for extending quantum-accurate simulations to large spatiotemporal scales. While descriptor-based neural networks can incorporate lattice symmetries through carefully…

强关联电子 · 物理学 2026-03-03 Yunhao Fan , Gia-Wei Chern

This study introduces a two-scale Graph Neural Operator (GNO), namely, LatticeGraphNet (LGN), designed as a surrogate model for costly nonlinear finite-element simulations of three-dimensional latticed parts and structures. LGN has two…

机器学习 · 计算机科学 2024-09-17 Ayush Jain , Ehsan Haghighat , Sai Nelaturi

Neural networks (NNs) that exploit strong inductive biases based on physical laws and symmetries have shown remarkable success in learning the dynamics of physical systems directly from their trajectory. However, these works focus only on…

机器学习 · 计算机科学 2023-06-21 Suresh Bishnoi , Jayadeva , Sayan Ranu , N. M. Anoop Krishnan