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Stochastic density functional theory (sDFT) is becoming a valuable tool for studying ground state properties of extended materials. The computational complexity of describing the Kohn-Sham orbitals is replaced by introducing a set of random…

Chemical Physics · Physics 2021-06-16 Ming Chen , Roi Baer , Daniel Neuhauser , Eran Rabani

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…

Materials Science · Physics 2023-05-24 Nicolas Bertin , Fei Zhou

Distributed methods are essential for handling machine learning pipelines comprising large-scale models and datasets. However, their benefits often come at the cost of increased communication overhead between the central server and agents,…

Machine Learning · Computer Science 2025-03-03 Enea Monzio Compagnoni , Rustem Islamov , Frank Norbert Proske , Aurelien Lucchi

Density gradient theory (DGT) allows fast and accurate determination of surface tension and density profile through a phase interface. Several algorithms have been developed to apply this theory in practical calculations. While the…

Chemical Physics · Physics 2016-08-09 Xiaoqun Mu , Florian Frank , Faruk O. Alpak , Walter G. Chapman

In this paper we present a new method for deriving It\^{o} stochastic delay differential equations (SDDEs) from delayed chemical master equations (DCMEs). Considering alternative formulations of SDDEs that can be derived from the same DCME,…

Chaotic Dynamics · Physics 2023-05-09 F. Fatehi , Y. N. Kyrychko , K. B. Blyuss

The unified gas-kinetic scheme (UGKS) provides a framework for simulating multiscale transport with the updates of both gas distribution function and macroscopic flow variables on the cell size and time step scales. The multiscale dynamics…

Numerical Analysis · Mathematics 2018-11-20 Chang Liu , Yajun Zhu , Kun Xu

The multi-scale flow mechanism is crucial for force and heat loaded on near-space and reentry vehicles, the control of spacecraft by thrusters, the propelling and cooling of MEMS, etc. Since the continuum flow and rarefied flow often exist…

Computational Physics · Physics 2021-07-28 Sirui Yang , Sha Liu , Chengwen Zhong , Junzhe Cao , Congshan Zhuo

Cryogenic buffer gas cells have been a workhorse for the cooling of molecules in the last decades. The straightforward sympathetic cooling principle makes them applicable to a huge variety of different species. Notwithstanding this success,…

Chemical Physics · Physics 2020-08-26 Thomas Gantner , Manuel Koller , Xing Wu , Gerhard Rempe , Martin Zeppenfeld

We present an end-to-end quantum algorithm for simulating nonlinear dynamics described by a system of stochastic dissipative differential equations with a quadratic nonlinearity. The stochastic part of the system is modeled by a Gaussian…

Quantum Physics · Physics 2025-10-07 Sergey Bravyi , Robert Manson-Sawko , Mykhaylo Zayats , Sergiy Zhuk

Kinetic models based on the Bhatnagar-Gross-Krook (BGK) framework provide an efficient alternative to the Boltzmann equation for rarefied gas flows; however, existing formulations for gas mixtures remain limited in representing…

Fluid Dynamics · Physics 2026-04-28 Inchan Kim , Joonbeom Kim , Woonghwi Park , Eunji Jun

The development and application of the Discontinuous Galerkin (DG) method have attracted great attention in computational fluid dynamics (CFD) com- munity in the past decades. The underlying reason for such an intensive investigation is due…

Numerical Analysis · Mathematics 2016-01-20 Kun Xu , Chang Liu , Xiaodong Ren

Distributed stochastic gradient descent (SGD) has attracted considerable recent attention due to its potential for scaling computational resources, reducing training time, and helping protect user privacy in machine learning. However, the…

Machine Learning · Computer Science 2025-02-27 Siyuan Yu , Wei Chen , H. Vincent Poor

This paper formulates two 3D stochastic differential equations (SDEs) of two microbial populations in a chemostat competing over a single substrate. The two models have two distinct noise sources. One is general noise whereas the other is…

Dynamical Systems · Mathematics 2017-06-23 Dimitrios Voulgarelis , Ajoy Valayudhan , Frank Smith

Decentralized learning (DL) has recently employed local updates to reduce the communication cost for general non-convex optimization problems. Specifically, local updates require each node to perform multiple update steps on the parameters…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-18 Kangyang Luo , Kunkun Zhang , Shengbo Zhang , Xiang Li , Ming Gao

Understanding the behavior of stochastic gradient descent (SGD) in the context of deep neural networks has raised lots of concerns recently. Along this line, we study a general form of gradient based optimization dynamics with unbiased…

Machine Learning · Statistics 2019-06-11 Zhanxing Zhu , Jingfeng Wu , Bing Yu , Lei Wu , Jinwen Ma

A multiscale analysis of 1D stochastic bistable reaction-diffusion equations with additive noise is carried out w.r.t. travelling waves within the variational approach to stochastic partial differential equations. It is shown with explicit…

Probability · Mathematics 2019-02-11 Jennifer Krüger , Wilhelm Stannat

In this paper we present a new multiscale discontinuous Petrov--Galerkin method (MsDPGM) for multiscale elliptic problems. This method utilizes the classical oversampling multiscale basis in the framework of Petrov--Galerkin version of…

Numerical Analysis · Mathematics 2017-02-09 Song Fei , Deng Weibing

Uncertainties have become a major concern in integrated circuit design. In order to avoid the huge number of repeated simulations in conventional Monte Carlo flows, this paper presents an intrusive spectral simulator for statistical circuit…

Computational Engineering, Finance, and Science · Computer Science 2016-11-18 Zheng Zhang , Tarek A. El-Moselhy , Ibrahim , M. Elfadel , Luca Daniel

We develop methods for parameter estimation in settings with large-scale data sets, where traditional methods are no longer tenable. Our methods rely on stochastic approximations, which are computationally efficient as they maintain one…

Computation · Statistics 2015-09-23 Dustin Tran , Panos Toulis , Edoardo M. Airoldi

Design of modern nanostructured semiconductor devices often calls for simulation tools capable of modeling arbitrarily-shaped multiscale geometries. In this work, to this end, a discontinuous Galerkin (DG) method-based framework is…

Computational Physics · Physics 2020-02-03 Liang Chen , Hakan Bagci