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Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Point clouds are a popular representation for 3D shapes. However, they encode a particular sampling without accounting for shape priors or non-local information. We advocate for the use of a hierarchical Gaussian mixture model (hGMM), which…

Machine Learning · Computer Science 2020-03-31 Amir Hertz , Rana Hanocka , Raja Giryes , Daniel Cohen-Or

Fluid simulation is an important research topic in computer graphics (CG) and animation in video games. Traditional methods based on Navier-Stokes equations are computationally expensive. In this paper, we treat fluid motion as point cloud…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Yu Chen , Shuai Zheng , Nianyi Wang , Menglong Jin , Yan Chang

Particle-based methods are a practical tool in computational fluid dynamics, and novel types of methods have been proposed. However, widely developed Lagrangian-type formulations suffer from the nonuniform distribution of particles, which…

Fluid Dynamics · Physics 2025-03-26 Takeharu Matsuda , Satoshi Ii

Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…

Machine Learning · Computer Science 2024-05-29 Jiantong Jiang , Zeyi Wen , Peiyu Yang , Atif Mansoor , Ajmal Mian

Many real-world physics and engineering problems arise in geometrically complex domains discretized by meshes for numerical simulations. The nodes of these potentially irregular meshes naturally form point clouds whose limited tractability…

Machine Learning · Computer Science 2025-06-17 Shirin Hosseinmardi , Ramin Bostanabad

The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, provided some critical aspects are properly…

Computational Physics · Physics 2024-12-11 Paolo Joseph Baioni , Tommaso Benacchio , Luigi Capone , Carlo de Falco

We propose a defiltering method of turbulent flow fields for Lagrangian particle tracking using machine learning techniques. Numerical simulation of Lagrangian particle tracking is commonly used in various fields. In general, practical…

Fluid Dynamics · Physics 2024-11-21 Tomoya Oura , Koji Fukagata

Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency of classical force fields. This allows simulations ranging…

Materials Science · Physics 2025-03-20 Bruno Focassio , Luis Paulo Mezzina Freitas , Gabriel R. Schleder

We present a fully Lagrangian particle level-set method based on high-order polynomial regression. This enables closest-point redistancing without requiring a regular Cartesian mesh, relaxing the need for particle-mesh interpolation.…

Computational Engineering, Finance, and Science · Computer Science 2024-11-05 Lennart J. Schulze , Sachin K. T. Veettill , Ivo F. Sbalzarini

Kinetic approaches are generally accurate in dealing with microscale plasma physics problems but are computationally expensive for large-scale or multiscale systems. One of the long-standing problems in plasma physics is the integration of…

Plasma Physics · Physics 2023-08-07 Yilan Qin , Jiayu Ma , Mingle Jiang , Chuanfei Dong , Haiyang Fu , Liang Wang , Wenjie Cheng , Yaqiu Jin

The finite element method (FEM) is among the most commonly used numerical methods for solving engineering problems. Due to its computational cost, various ideas have been introduced to reduce computation times, such as domain decomposition,…

Computational Engineering, Finance, and Science · Computer Science 2019-11-07 Andrea Mendizabal , Pablo Márquez-Neila , Stéphane Cotin

Dynamic shearing banding and fracturing in unsaturated porous media is a significant problem in engineering and science. This article proposes a multiphase micro-periporomechanics (uPPM) paradigm for modeling dynamic shear banding and…

Numerical Analysis · Mathematics 2024-01-10 Hossein Pashazad , Xiaoyu Song

Machine learning (ML) provides a broad spectrum of tools and architectures that enable the transformation of data from simulations and experiments into useful and explainable science, thereby augmenting domain knowledge. Furthermore,…

Plasma Physics · Physics 2024-09-05 Farbod Faraji , Maryam Reza

A major source of endoscopic tissue tracking errors during deformations stems from wrong data association between observed sensor measurements with previously tracked scene. To mitigate this issue, we present a surgical perception…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Shan Lin , Albert J. Miao , Ali Alabiad , Fei Liu , Kaiyuan Wang , Jingpei Lu , Florian Richter , Michael C. Yip

We introduce the so called DeepParticle method to learn and generate invariant measures of stochastic dynamical systems with physical parameters based on data computed from an interacting particle method (IPM). We utilize the expressiveness…

Machine Learning · Computer Science 2022-06-22 Zhongjian Wang , Jack Xin , Zhiwen Zhang

A deep learning-based computational method is proposed for soft matter dynamics -- the deep Onsager-Machlup method (DOMM). It combines the brute forces of deep neural networks (DNNs) with the fundamental physics principle -- Onsager-Machlup…

Soft Condensed Matter · Physics 2025-11-24 Zhihao Li , Boyi Zou , Haiqin Wang , Jian Su , Dong Wang , Xinpeng Xu

Shock-physics numerical codes are essential tools for describing the short but extreme fragmentation stage of the hypervelocity impact process on asteroids. However, accurately representing complex interior structures, surfaces, and contact…

Earth and Planetary Astrophysics · Physics 2026-04-16 Xiaoran Yan , Patrick Michel , Ruichen Ni , Yifei Jiao , Junfeng Li

Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

Machine Learning · Computer Science 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

Accurately handling contact with friction remains a core bottleneck for Material Point Method (MPM), from reliable contact point detection to enforcing frictional contact laws (non-penetration, Coulomb friction, and maximum dissipation…

Robotics · Computer Science 2026-02-03 Etienne Ménager , Justin Carpentier