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We present the partial evolutionary tensor neural networks (pETNNs), a novel framework for solving time-dependent partial differential equations with high accuracy and capable of handling high-dimensional problems. Our architecture…

数值分析 · 数学 2025-12-08 Tunan Kao , He Zhang , Lei Zhang , Jin Zhao

We develop a new algorithm for the Brownian dynamics of soft matter systems that evolves time by spatially correlated Monte Carlo moves. The algorithm uses vector wavelets as its basic moves and produces hydrodynamics in the low Reynolds…

软凝聚态物质 · 物理学 2017-04-26 Oliver T Dyer , Robin C Ball

In this paper, an innovative Physical Model-driven Neural Network (PMNN) method is proposed to solve time-fractional differential equations. It establishes a temporal iteration scheme based on physical model-driven neural networks which…

机器学习 · 计算机科学 2023-10-10 Zhiying Ma , Jie Hou , Wenhao Zhu , Yaxin Peng , Ying Li

We provide a numerical study of the macroscopic model of [3] derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodelling process is very fast, the…

We present a novel theoretical formulation for performing quantum dynamics in terms of moments within the single-particle description. By expressing the quantum dynamics in terms of increasing orders of moments, instead of single-particle…

化学物理 · 物理学 2024-01-12 Nicholas Boyer , Christopher Shepard , Ruiyi Zhou , Jianhang Xu , Yosuke Kanai

Discovering constants of motion is meaningful in helping understand the dynamical systems, but inevitably needs proficient mathematical skills and keen analytical capabilities. With the prevalence of deep learning, methods employing neural…

机器学习 · 计算机科学 2025-04-15 Wenqi Fang , Chao Chen , Yongkui Yang , Zheng Wang

An algorithm is proposed for finding numerical solutions of a kinetic equation that describes an infinite system of point articles placed in $\mathbb{R}^d (d \geq 1)$. The particles perform random jumps with pair wise repulsion, in the…

动力系统 · 数学 2020-08-03 Igor Omelyan , Yuri Kozitsky , Krzysztof Pilorz

Deep neural networks are an attractive alternative for simulating complex dynamical systems, as in comparison to traditional scientific computing methods, they offer reduced computational costs during inference and can be trained directly…

机器学习 · 计算机科学 2024-05-01 Katarzyna Michałowska , Somdatta Goswami , George Em Karniadakis , Signe Riemer-Sørensen

Neural networks have been used to solve different types of large data related problems in many different fields.This project takes a novel approach to solving the Navier-Stokes Equations for turbulence by training a neural network using…

数值分析 · 计算机科学 2018-08-22 Megan McCracken

Many scientific and industrial applications require solving Partial Differential Equations (PDEs) to describe the physical phenomena of interest. Some examples can be found in the fields of aerodynamics, astrodynamics, combustion and many…

计算物理 · 物理学 2019-12-11 Juan B. Pedro , Juan Maroñas , Roberto Paredes

Understanding and prediction of the chemical reactions are fundamental demanding in the study of many complex chemical systems. Reactive molecular dynamics (MD) simulation has been widely used for this purpose as it can offer atomic details…

化学物理 · 物理学 2020-11-12 Jinzhe Zeng , Liqun Cao , Mingyuan Xu , Tong Zhu , John ZH Zhang

Machine Learning models incorporating multiple layered learning networks have been seen to provide effective models for various classification problems. The resulting optimization problem to solve for the optimal vector minimizing the…

最优化与控制 · 数学 2018-07-03 Vyacheslav Kungurtsev , Tomas Pevny

We present a numerical framework for approximating unknown governing equations using observation data and deep neural networks (DNN). In particular, we propose to use residual network (ResNet) as the basic building block for equation…

数值分析 · 数学 2019-07-24 Tong Qin , Kailiang Wu , Dongbin Xiu

The equations of classical mechanics can be used to model the time evolution of countless physical systems, from the astrophysical to the atomic scale. Accurate numerical integration requires small time steps, which limits the computational…

化学物理 · 物理学 2026-03-09 Filippo Bigi , Johannes Spies , Michele Ceriotti

In condensed matter physics, particularly in perovskite materials, the rotational motion of molecules and ions is associated with important issues such as ion conduction mechanism. Constrained Molecular Dynamics (MD) simulations offer a…

化学物理 · 物理学 2024-08-05 Jitai Yang , Ke Li , Jia Liu , Jia Nie , Hui Li

Current Deep Learning methods for environment segmentation and velocity estimation rely on Convolutional Recurrent Neural Networks to exploit spatio-temporal relationships within obtained sensor data. These approaches derive scene dynamics…

计算机视觉与模式识别 · 计算机科学 2023-06-21 Marco Braun , Moritz Luszek , Mirko Meuter , Dominic Spata , Kevin Kollek , Anton Kummert

Starting from the observation that artificial neural networks are uniquely suited to solving optimisation problems, and most physics problems can be cast as an optimisation task, we introduce a novel way of finding a numerical solution to…

高能物理 - 唯象学 · 物理学 2019-07-10 Maria Laura Piscopo , Michael Spannowsky , Philip Waite

Newton's method is a fundamental technique in optimization with quadratic convergence within a neighborhood around the optimum. However reaching this neighborhood is often slow and dominates the computational costs. We exploit two…

机器学习 · 计算机科学 2016-05-24 Hadi Daneshmand , Aurelien Lucchi , Thomas Hofmann

The traditional Newton method for solving nonlinear operator equations in Banach spaces is discussed within the context of the continuous Newton method. This setting makes it possible to interpret the Newton method as a discrete dynamical…

数值分析 · 数学 2016-07-13 Mario Amrein , Thomas P. Wihler

Maxwell's equations govern light propagation and its interaction with matter. Therefore, the solution of Maxwell's equations using computational electromagnetic simulations plays a critical role in understanding light-matter interaction and…

光学 · 物理学 2024-06-12 Joowon Lim , Demetri Psaltis