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Machine learning potentials have emerged as a means to enhance the accuracy of biomolecular simulations. However, their application is constrained by the significant computational cost arising from the vast number of parameters compared to…

Mesh-free Lagrangian methods are widely used for simulating fluids, solids, and their complex interactions due to their ability to handle large deformations and topological changes. These physics simulators, however, require substantial…

Machine Learning · Computer Science 2025-02-25 Omer Rochman Sharabi , Sacha Lewin , Gilles Louppe

In recent years, machine learning interatomic potentials (MLIPs) have attracted significant attention as a method that enables large-scale, long-time atomistic simulations while maintaining accuracy comparable to electronic structure…

Materials Science · Physics 2025-03-27 Yuta Yoshimoto , Naoki Matsumura , Yuto Iwasaki , Hiroshi Nakao , Yasufumi Sakai

We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce…

Machine Learning · Computer Science 2025-05-27 Jingxuan Xu , Hong Huang , Chuhang Zou , Manolis Savva , Yunchao Wei , Wuyang Chen

Neural network potentials (NNPs) enable large-scale molecular dynamics (MD) simulations of systems containing >10,000 atoms with the accuracy comparable to ab initio methods and play a crucial role in material studies. Although NNPs are…

Compact models of memristors are essential for simulating large-scale neuromorphic systems, yet they often do not include description of complex dynamics like volatile relaxation and synaptic plasticity. We introduce a modular,…

Accurate and efficient simulation of modern robots remains challenging due to their high degrees of freedom and intricate mechanisms. Neural simulators have emerged as a promising alternative to traditional analytical simulators, capable of…

Robotics · Computer Science 2025-08-22 Jie Xu , Eric Heiden , Iretiayo Akinola , Dieter Fox , Miles Macklin , Yashraj Narang

Differentiable simulators provide an avenue for closing the sim-to-real gap by enabling the use of efficient, gradient-based optimization algorithms to find the simulation parameters that best fit the observed sensor readings. Nonetheless,…

Robotics · Computer Science 2021-05-21 Eric Heiden , David Millard , Erwin Coumans , Yizhou Sheng , Gaurav S. Sukhatme

We present a framework for the multiscale modeling of finite strain magneto-elasticity based on physics-augmented neural networks (NNs). By using a set of problem specific invariants as input, an energy functional as the output and by…

Computational Engineering, Finance, and Science · Computer Science 2023-09-01 Karl A. Kalina , Philipp Gebhart , Jörg Brummund , Lennart Linden , WaiChing Sun , Markus Kästner

We propose a self-supervised approach for learning physics-based subspaces for real-time simulation. Existing learning-based methods construct subspaces by approximating pre-defined simulation data in a purely geometric way. However, this…

Machine Learning · Computer Science 2024-04-30 Jiahong Wang , Yinwei Du , Stelian Coros , Bernhard Thomaszewski

Accurately predicting fluid dynamics and evolution has been a long-standing challenge in physical sciences. Conventional deep learning methods often rely on the nonlinear modeling capabilities of neural networks to establish mappings…

Machine Learning · Computer Science 2025-04-09 Huaguan Chen , Yang Liu , Hao Sun

Recent developments in Machine Learning approaches for modelling physical systems have begun to mirror the past development of numerical methods in the computational sciences. In this survey, we begin by providing an example of this with…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Ludger Paehler , Andrea Panizza , Nikolaus A. Adams

Parametric 3D models have enabled a wide variety of tasks in computer graphics and vision, such as modeling human bodies, faces, and hands. However, the construction of these parametric models is often tedious, as it requires heavy manual…

Computer Vision and Pattern Recognition · Computer Science 2021-08-06 Pablo Palafox , Aljaž Božič , Justus Thies , Matthias Nießner , Angela Dai

The interaction of condensed phase systems with external electric fields is crucial in myriad processes in nature and technology ranging from the field-directed motion of cells (galvanotaxis), to energy storage and conversion systems…

Chemical Physics · Physics 2024-09-25 Kit Joll , Philipp Schienbein , Kevin M. Rosso , Jochen Blumberger

The introduction of modern Machine Learning Potentials (MLP) has led to a paradigm change in the development of potential energy surfaces for atomistic simulations. By providing efficient access to energies and forces, they allow to perform…

Chemical Physics · Physics 2023-10-13 Alea Miako Tokita , Jörg Behler

The current dominant paradigm in sensorimotor control, whether imitation or reinforcement learning, is to train policies directly in raw action spaces such as torque, joint angle, or end-effector position. This forces the agent to make…

Machine Learning · Computer Science 2020-12-07 Shikhar Bahl , Mustafa Mukadam , Abhinav Gupta , Deepak Pathak

Simulating interactions between non-spherical colloidal particles is computationally challenging due to the complex dependency of forces and energies on their geometry. We introduce and evaluate both descriptor-based and end-to-end models…

Soft Condensed Matter · Physics 2025-09-22 B. Rusen Argun , Antonia Statt

An efficient, generalizable physical simulator with universal uncertainty estimates has wide applications in robot state estimation, planning, and control. In this paper, we build such a simulator for two scenarios, planar pushing and ball…

Interatomic potentials are essential for driving molecular dynamics (MD) simulations, directly impacting the reliability of predictions regarding the physical and chemical properties of materials. In recent years, machine-learned potentials…

Materials Science · Physics 2025-03-20 Penghua Ying , Cheng Qian , Rui Zhao , Yanzhou Wang , Feng Ding , Shunda Chen , Zheyong Fan

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang
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