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A path integral formalism has been proposed recently for non-equilibrium statistical physics applications by the author. In this contribution we outline an efficient method for its numerical evaluation. The method used is based on the…

数值分析 · 计算机科学 2016-06-29 Richard Kleeman

For decades, the Vlasov-Darwin model has been recognized to be attractive for particle-in-cell (PIC) kinetic plasma simulations in non-radiative electromagnetic regimes, to avoid radiative noise issues and gain computational efficiency.…

计算物理 · 物理学 2016-05-04 Guangye Chen , Luis Chacon

Dynamic locomotion in rough terrain requires accurate foot placement, collision avoidance, and planning of the underactuated dynamics of the system. Reliably optimizing for such motions and interactions in the presence of imperfect and…

机器人学 · 计算机科学 2022-08-18 Ruben Grandia , Fabian Jenelten , Shaohui Yang , Farbod Farshidian , Marco Hutter

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…

化学物理 · 物理学 2018-04-04 Loïc Joubert-Doriol , Artur F. Izmaylov

The use of deep learning methods for solving PDEs is a field in full expansion. In particular, Physical Informed Neural Networks, that implement a sampling of the physical domain and use a loss function that penalizes the violation of the…

机器学习 · 计算机科学 2021-12-08 Valentin Mercier , Serge Gratton , Pierre Boudier

In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latter are ubiquitous in physicochemical and biological…

We propose a nonparametric method for detecting nonlinear causal relationship within a set of multidimensional discrete time series, by using sparse additive models (SpAMs). We show that, when the input to the SpAM is a $\beta$-mixing time…

机器学习 · 统计学 2018-04-27 Yingxiang Yang , Adams Wei Yu , Zhaoran Wang , Tuo Zhao

In this paper we will consider the peridynamic equation of motion which is described by a second order in time partial integro-differential equation. This equation has recently received great attention in several fields of Engineering…

In this effort we propose a data-driven learning framework for reduced order modeling of fluid dynamics. Designing accurate and efficient reduced order models for nonlinear fluid dynamic problems is challenging for many practical…

计算物理 · 物理学 2018-12-05 Xuping Xie , Guannan Zhang , Clayton G. Webster

This paper proposes SMADMM, a single-loop Stochastic Momentum Alternating Direction Method of Multipliers for solving a class of nonconvex and nonsmooth composite optimization problems. SMADMM achieves the optimal oracle complexity of…

最优化与控制 · 数学 2025-04-22 Kangkang Deng , Shuchang Zhang , Boyu Wang , Jiachen Jin , Juan Zhou , Hongxia Wang

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…

统计力学 · 物理学 2018-06-05 Xuecheng Tao , Philip Shushkov , Thomas Miller

The current algorithms are based on linear model, for example, Precision Time Protocol (PTP) which requires frequent synchronization in order to handle the effects of clock frequency drift. This paper introduces a nonlinear approach to…

机器学习 · 计算机科学 2019-03-05 Frank Wang , Danjue Li

Dynamic Linear Models (DLMs) are commonly employed for time series analysis due to their versatile structure, simple recursive updating, ability to handle missing data, and probabilistic forecasting. However, the options for count time…

统计方法学 · 统计学 2023-06-30 Brian King , Daniel R. Kowal

Physics-Informed Neural Networks present a novel approach in SciML that integrates physical laws in the form of partial differential equations directly into the NN through soft constraints in the loss function. This work studies the…

神经与进化计算 · 计算机科学 2026-02-17 Suhas Suresh Bharadwaj , Reuben Thomas Thovelil

This study introduces an analytically tractable and computationally efficient model of the legged robot dynamics associated with locomotion on a dynamic rigid surface (DRS), and develops a real-time motion planner based on the proposed…

机器人学 · 计算机科学 2023-01-10 Amir Iqbal , Sushant Veer , Yan Gu

Trajectory estimation of maneuvering objects is applied in numerous tasks like navigation, path planning and visual tracking. Many previous works get impressive results in the strictly controlled condition with accurate prior statistics and…

信息论 · 计算机科学 2020-07-02 Weipeng Li , Xiaogang Yang , Ruitao Lu , Jiwei Fan , Tao Zhang , Chuan He

We discuss the design of state-of-the-art numerical methods for molecular dynamics, focusing on the demands of soft matter simulation, where the purposes include sampling and dynamics calculations both in and out of equilibrium. We discuss…

计算物理 · 物理学 2020-02-14 Xiaocheng Shang , Martin Kröger , Benedict Leimkuhler

We prove linear convergence for a new family of modified Dirichlet--Neumann methods applied to quasilinear parabolic equations, as well as the convergence of the Robin--Robin method. Such nonoverlapping domain decomposition methods are…

数值分析 · 数学 2023-08-30 Emil Engström , Eskil Hansen

We propose new algorithms for numerical integration of the equations of motion for classical spin systems with fixed spatial site positions. The algorithms are derived on the basis of a mid-point scheme in conjunction with the multiple time…

统计力学 · 物理学 2009-10-31 I. P. Omelyan , I. M. Mryglod , R. Folk

Atomic nonlinear interferometry has wide applications in quantum metrology and quantum information science. Here we propose a nonlinear time-reversal interferometry scheme with high robustness and metrological gain based on the spin…

量子物理 · 物理学 2023-11-30 Zhiyao Hu , Qixian Li , Xuanchen Zhang , He-bin Zhang , Long-Gang Huang , Yong-Chun Liu