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We develop a combined machine learning (ML) and quantum mechanics approach that enables data-efficient reconstruction of flexible molecular force fields from high-level ab initio calculations, through the consideration of fundamental…

计算物理 · 物理学 2021-04-14 Stefan Chmiela , Huziel E. Sauceda , Alexandre Tkatchenko , Klaus-Robert Müller

Simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment related activities. The numerical simulators used for modeling such processes rely on spatial and temporal…

计算物理 · 物理学 2022-05-25 Bicheng Yan , Dylan Robert Harp , Rajesh J. Pawar

3D data that contains rich geometry information of objects and scenes is valuable for understanding 3D physical world. With the recent emergence of large-scale 3D datasets, it becomes increasingly crucial to have a powerful 3D generative…

计算机视觉与模式识别 · 计算机科学 2020-12-29 Jianwen Xie , Zilong Zheng , Ruiqi Gao , Wenguan Wang , Song-Chun Zhu , Ying Nian Wu

Ocean General Circulation Models require extensive computational resources to reach equilibrium states, while deep learning emulators, despite offering fast predictions, lack the physical interpretability and long-term stability necessary…

机器学习 · 计算机科学 2025-02-05 Etienne Meunier , David Kamm , Guillaume Gachon , Redouane Lguensat , Julie Deshayes

Deep learning models are able to approximate one specific dynamical system but struggle at learning generalisable dynamics, where dynamical systems obey the same laws of physics but contain different numbers of elements (e.g., double- and…

机器学习 · 计算机科学 2022-07-05 Yupu Lu , Shijie Lin , Guanqi Chen , Jia Pan

Is a deep learning model capable of understanding systems governed by certain first principle laws by only observing the system's output? Can deep learning learn the underlying physics and honor the physics when making predictions? The…

计算物理 · 物理学 2020-06-11 Rohan Thavarajah , Xiang Zhai , Zheren Ma , David Castineira

We present a new methodology for simulating self-gravitating general-relativistic fluids. In our approach the fluid is modelled by means of Lagrangian particles in the framework of a general-relativistic (GR) Smooth Particle Hydrodynamics…

广义相对论与量子宇宙学 · 物理学 2025-06-12 S. Rosswog , P. Diener

We introduce Gradient Particle Magnetohydrodynamics (GPM), a new Lagrangian method for magnetohydrodynamics based on gradients corrected for the locally disordered particle distribution. The development of a numerical code for MHD…

天体物理学 · 物理学 2009-11-06 Jason L. Maron , Gregory G. Howes

We present ElastoGen, a knowledge-driven AI model that generates physically accurate 4D elastodynamics. Unlike deep models that learn from video- or image-based observations, ElastoGen leverages the principles of physics and learns from…

机器学习 · 计算机科学 2025-11-12 Yutao Feng , Yintong Shang , Xiang Feng , Lei Lan , Shandian Zhe , Tianjia Shao , Hongzhi Wu , Kun Zhou , Chenfanfu Jiang , Yin Yang

Large-scale or high-resolution geologic models usually comprise a huge number of grid blocks, which can be computationally demanding and time-consuming to solve with numerical simulators. Therefore, it is advantageous to upscale geologic…

机器学习 · 计算机科学 2022-01-04 Nanzhe Wang , Qinzhuo Liao , Haibin Chang , Dongxiao Zhang

Physical learning is an emerging paradigm in science and engineering whereby (meta)materials acquire desired macroscopic behaviors by exposure to examples. So far, it has been applied to static properties such as elastic moduli and…

In this work we investigate the nonlinear and nonlocal relation between cosmological density and peculiar velocity fields. Our goal is to provide an algorithm for the recon- struction of the nonlinear velocity field from the fully nonlinear…

宇宙学与河外天体物理 · 物理学 2015-06-03 Francisco-Shu Kitaura , Raul E. Angulo , Yehuda Hoffman , Stefan Gottl"ober

We introduce a Lagrangian-space Effective Field Theory (LEFT) formalism for the study of cosmological large scale structures. Unlike the previous Eulerian-space construction, it is naturally formulated as an effective field theory of…

宇宙学与河外天体物理 · 物理学 2015-06-17 Rafael A. Porto , Leonardo Senatore , Matias Zaldarriaga

We study the problem of building an efficient learning system. Efficient learning processes information in the least time, i.e., building a system that reaches a desired error threshold with the least number of observations. Building upon…

机器学习 · 计算机科学 2025-09-26 Siyuan Guo , Bernhard Schölkopf

Building efficient, accurate and generalizable reduced order models of developed turbulence remains a major challenge. This manuscript approaches this problem by developing a hierarchy of parameterized reduced Lagrangian models for…

We demonstrate the use of deep network to learn the distribution of data from state-of-the-art hydrodynamic simulations of the CAMELS project. To this end, we train a generative adversarial network to generate images composed of three…

宇宙学与河外天体物理 · 物理学 2024-10-25 Sambatra Andrianomena , Sultan Hassan , Francisco Villaescusa-Navarro

We propose a generalized Langevin dynamics (GLD) technique to construct non-Markovian particle-based coarse-grained models from fine-grained reference simulations and to efficiently integrate them. The proposed GLD model has the form of a…

软凝聚态物质 · 物理学 2018-11-16 Gerhard Jung , Martin Hanke , Friederike Schmid

Accurate prediction of the hydrodynamic forces on particles is central to the fidelity of Euler-Lagrange (EL) simulations of particle-laden flows. Traditional EL methods typically rely on determining the hydrodynamic forces at the positions…

流体动力学 · 物理学 2025-09-08 Berend van Wachem , Hani Elmestikawy , Akshay Chandran , Max Hausmann

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is…

数值分析 · 数学 2016-03-21 Hsin-Chiang Chen , Roman Samulyak , Wei Li

In this work, we investigate the use of data-driven equation discovery for dynamical systems to model and forecast continuous-time dynamics of unconstrained optimization problems. To avoid expensive evaluations of the objective function and…

最优化与控制 · 数学 2026-02-19 Grant Norman , Conor Rowan , Kurt Maute , Alireza Doostan