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This paper describes an algorithm for selecting parameter values (e.g. temperature values) at which to measure equilibrium properties with Parallel Tempering Monte Carlo simulation. Simple approaches to choosing parameter values can lead to…

其他凝聚态物理 · 物理学 2015-05-18 Firas Hamze , Neil Dickson , Kamran Karimi

Parallel tempering Monte Carlo has proven to be an efficient method in optimization and sampling applications. Having an optimized temperature set enhances the efficiency of the algorithm through more-frequent replica visits to the…

计算物理 · 物理学 2019-11-11 Ignacio Rozada , Maliheh Aramon , Jonathan Machta , Helmut G. Katzgraber

The widespread popularity of replica exchange and expanded ensemble algorithms for simulating complex molecular systems in chemistry and biophysics has generated much interest in enhancing phase space mixing of these protocols, thus…

统计力学 · 物理学 2011-12-06 John D. Chodera , Michael R. Shirts

We study the opportunities for parallelism for the simulation of surface reactions. We introduce the concept of a partition and we give new simulation methods based on Cellular Automaton using partitions. We elaborate on the advantages and…

计算物理 · 物理学 2007-05-23 S. V. Nedea , J. J. Lukkien , A. P. J. Jansen , P. A. J. Hilbers

We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…

软凝聚态物质 · 物理学 2009-11-11 Elijah Flenner , Grzegorz Szamel

Parallel tempering and population annealing are both effective methods for simulating equilibrium systems with rough free energy landscapes. Parallel tempering, also known as replica exchange Monte Carlo, is a Markov chain Monte Carlo…

统计力学 · 物理学 2011-09-05 Jon Machta , Richard S. Ellis

Recent advances in steady-state analysis of power systems have introduced the equivalent split-circuit approach and corresponding continuation methods that can reliably find the correct physical solution of large-scale power system…

系统与控制 · 计算机科学 2018-04-24 Martin R. Wagner , Amritanshu Pandey , Marko Jereminov , Larry Pileggi

In statistical physics, the efficiency of tempering approaches strongly depends on ingredients such as the number of replicas $R$, reliable determination of weight factors and the set of used temperatures, ${\mathcal T}_R = \{T_1, T_2,…

统计力学 · 物理学 2014-09-01 A. Valentim , M. G. E. da Luz , Carlos E. Fiore

Markov Chain Monte Carlo methods are algorithms used to sample probability distributions, commonly used to sample the Boltzmann distribution of physical/chemical models (e.g., protein folding, Ising model, etc.). This allows us to study…

分布式、并行与集群计算 · 计算机科学 2025-12-04 Aingeru Ramos , Jose A Pascual , Javier Navaridas , Ivan Coluzza

The various versions of cond-mat/0312353 discuss results obtained by me&coworkers in the last decade. I have received requests to comment on the paper and the comments are collected here, including some that I tried to point in the course…

统计力学 · 物理学 2007-05-23 Giovanni Gallavotti

We report the results of Monte Carlo simulations on several spin glass models at low temperatures. By using the parallel tempering (Exchange Monte Carlo) technique we are able to equilibrate down to low temperatures, for moderate sizes, and…

无序系统与神经网络 · 物理学 2007-05-23 Helmut G. Katzgraber , Matteo Palassini , A. P. Young

Combinatorial optimization problems play crucial roles in real-world applications, and many studies from a physics perspective have contributed to specialized hardware for high-speed computation. However, some combinatorial optimization…

应用物理 · 物理学 2025-01-07 Tatsuya Naoi , Tatsuya Kishimoto , Jun Ohkubo

An efficient approach of measuring the absolute free energy in parallel tempering Monte Carlo using the exponential averaging method is discussed and the results are compared with those of population annealing Monte Carlo using the…

无序系统与神经网络 · 物理学 2015-05-20 Wenlong Wang

Parallel tempering is popular method for allowing MCMC algorithms to properly explore a $d$-dimensional multimodal target density. One problem with traditional power-based parallel tempering for multimodal targets is that the proportion of…

统计计算 · 统计学 2018-10-16 Nicholas G. Tawn , Gareth O. Roberts

Tempering is a popular tool in Bayesian computation, being used to transform a posterior distribution $p_1$ into a reference distribution $p_0$ that is more easily approximated. Several algorithms exist that start by approximating $p_0$ and…

统计计算 · 统计学 2025-09-16 Mengxin Xi , Zheyang Shen , Marina Riabiz , Nicolas Chopin , Chris J. Oates

This chapter surveys the most standard Monte Carlo methods available for simulating from a posterior distribution associated with a mixture and conducts some experiments about the robustness of the Gibbs sampler in high dimensional Gaussian…

Auxiliary variable methods such as the Parallel Tempering and the cluster Monte Carlo methods generate samples that follow a target distribution by using proposal and auxiliary distributions. In sampling from complex distributions, these…

统计计算 · 统计学 2012-07-16 Takamitsu Araki , Kazushi Ikeda

In the past few years considerable progress has been made in Monte Carlo simulations of first-order phase transitions and in the analysis of the resulting finite-size data. In this paper special emphasis will be placed on multicanonical…

高能物理 - 格点 · 物理学 2007-05-23 Wolfhard Janke

The method of tempered transitions was proposed by Neal (1996) for tackling the difficulties arising when using Markov chain Monte Carlo to sample from multimodal distributions. In common with methods such as simulated tempering and…

统计计算 · 统计学 2012-09-11 Gundula Behrens , Nial Friel , Merrilee Hurn

Parallel tempering (PT) is a class of Markov chain Monte Carlo algorithms that constructs a path of distributions annealing between a tractable reference and an intractable target, and then interchanges states along the path to improve…