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Various kinetic Monte Carlo algorithms become inefficient when some of the population sizes in a system are large, which gives rise to a large number of reaction events per unit time. Here, we present a new acceleration algorithm based on…

定量方法 · 定量生物学 2019-07-24 Yen Ting Lin , Song Feng , William S. Hlavacek

Calculating the correlation in a sliding window is a common method of statistical evaluation of the interconnect between two sets of data. And although the calculation of a single correlation coefficient is not resource-intensive and…

数据结构与算法 · 计算机科学 2018-07-18 Alexey Poyda , Mikhail Zhizhin

Numerical simulations of models and theories that describe complex systems such as spin glasses are becoming increasingly important. Beyond fundamental research, these computational methods also find practical applications in fields like…

We describe an asynchronous parallel stochastic proximal coordinate descent algorithm for minimizing a composite objective function, which consists of a smooth convex function plus a separable convex function. In contrast to previous…

最优化与控制 · 数学 2015-12-14 Ji Liu , Stephen J. Wright

In molecular simulations, efficient methods for investigating equilibration and slow relaxation in dense systems are crucial yet challenging. This study focuses on the diffusional characteristics of monodisperse hard disk systems at…

软凝聚态物质 · 物理学 2024-10-21 Daigo Mugita , Masaharu Isobe

We present an algorithm for cluster dynamics to efficiently simulate large systems on MIMD parallel computers with large numbers of processors. The method divides physical space into rectangular cells which are assigned to processors and…

高能物理 - 格点 · 物理学 2009-10-22 Mike Flanigan , Pablo Tamayo

Many clustering applications in machine learning and data mining rely on solving metric-constrained optimization problems. These problems are characterized by $O(n^3)$ constraints that enforce triangle inequalities on distance variables…

分布式、并行与集群计算 · 计算机科学 2019-01-30 Cameron Ruggles , Nate Veldt , David F. Gleich

Efficient and faithful parallel simulation of large asynchronous systems is a challenging computational problem. It requires using the concept of local simulated times and a synchronization scheme. We study the scalability of massively…

统计力学 · 物理学 2007-05-23 G. Korniss , M. A. Novotny , P. A. Rikvold , H. Guclu , Z. Toroczkai

The effectiveness of stochastic algorithms based on Monte Carlo dynamics in solving hard optimization problems is mostly unknown. Beyond the basic statement that at a dynamical phase transition the ergodicity breaks and a Monte Carlo…

无序系统与神经网络 · 物理学 2019-07-10 Maria Chiara Angelini , Federico Ricci-Tersenghi

We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into…

统计力学 · 物理学 2014-12-18 Tobias Alexander Kampmann , Horst-Holger Boltz , Jan Kierfeld

In this paper, we consider the problem of scheduling an application on a parallel computational platform. The application is a particular task graph, either a linear chain of tasks, or a set of independent tasks. The platform is made of…

数据结构与算法 · 计算机科学 2012-10-18 Guillaume Aupy , Anne Benoit

The parallel computational complexity of the quadratic map is studied. A parallel algorithm is described that generates typical pseudotrajectories of length t in a time that scales as log t and increases slowly in the accuracy demanded of…

混沌动力学 · 物理学 2015-06-26 J. Machta

A method is presented for parallelizing the computation of solutions to discrete-time, linear-quadratic, finite-horizon optimal control problems, which we will refer to as LQR problems. This class of problem arises frequently in robotic…

最优化与控制 · 数学 2018-09-18 Forrest Laine , Claire Tomlin

We present two parallel optimization algorithms for a convex function $f$. The first algorithm optimizes over linear inequality constraints in a Hilbert space, $\mathbb H$, and the second over a non convex polyhedron in $\mathbb R^n$. The…

最优化与控制 · 数学 2025-10-22 E. Dov Neimand , Serban Sabau

Applications that require substantial computational resources today cannot avoid the use of heavily parallel machines. Embracing the opportunities of parallel computing and especially the possibilities provided by a new generation of…

计算物理 · 物理学 2017-09-14 Martin Weigel

Standard gradient-based iteration algorithms for optimization, such as gradient descent and its various proximal-based extensions to nonsmooth problems, are known to converge slowly for ill-conditioned problems, sometimes requiring many…

数值分析 · 数学 2026-03-24 G. H. M. Araújo , O. A. Krzysik , H. De Sterck

Convex regression (CR) is an approach for fitting a convex function to a finite number of observations. It arises in various applications from diverse fields such as statistics, operations research, economics, and electrical engineering.…

最优化与控制 · 数学 2016-08-09 Necdet Serhat Aybat , Zi Wang

We present a new parallel code for computing the dynamical evolution of collisional N-body systems with up to N~10^7 particles. Our code is based on the the Henon Monte Carlo method for solving the Fokker-Planck equation, and makes…

天体物理仪器与方法 · 物理学 2015-06-05 Bharath Pattabiraman , Stefan Umbreit , Wei-Keng Liao , Alok Choudhary , Vassiliki Kalogera , Gokhan Memik , Frederic A. Rasio

The Simplex tableau has been broadly used and investigated in the industry and academia. With the advent of the big data era, ever larger problems are posed to be solved in ever larger machines whose architecture type did not exist in the…

分布式、并行与集群计算 · 计算机科学 2019-05-29 Demetrios Coutinho , Felipe O. Lins e Silva , Daniel Aloise , Samuel , Xavier-de-Souza

The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its…

计算物理 · 物理学 2013-03-19 Ulrich Welling , Guido Germano