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Fast and accurate sampling method is in high demand, in order to bridge the large gaps between molecular dynamic simulations and experimental observations. Recently, integrated tempering enhanced sampling method (ITS) has been proposed and…

Numerical Analysis · Mathematics 2018-06-22 Zhiyi You , Liying Li , Jianfeng Lu , Hao Ge

We introduce a new update scheme to systematically improve the efficiency of parallel tempering simulations. We show that by adapting the number of sweeps between replica exchanges to the canonical autocorrelation time, the average…

Statistical Mechanics · Physics 2008-09-26 Elmar Bittner , Andreas Nussbaumer , Wolfhard Janke

Domain-specific hardware to solve computationally hard optimization problems has generated tremendous excitement. Here, we evaluate probabilistic bit (p-bit) based Ising Machines (IM) on the 3-regular 3-Exclusive OR Satisfiability (3R3X),…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-21 Srijan Nikhar , Sidharth Kannan , Navid Anjum Aadit , Shuvro Chowdhury , Kerem Y. Camsari

In this paper, we propose a novel technique to accelerate Ising machines hyperparameter tuning. Firstly, we define Ising machine performance and explain the goal of hyperparameter tuning in regard to this performance definition. Secondly,…

Machine Learning · Computer Science 2023-09-12 Matthieu Parizy , Norihiro Kakuko , Nozomu Togawa

We introduce an algorithm to systematically improve the efficiency of parallel tempering Monte Carlo simulations by optimizing the simulated temperature set. Our approach is closely related to a recently introduced adaptive algorithm that…

Other Condensed Matter · Physics 2007-05-23 Helmut G. Katzgraber , Simon Trebst , David A. Huse , Matthias Troyer

Ising machines (IM) are physics-inspired alternatives to von Neumann architectures for solving hard optimization tasks. By mapping binary variables to coupled Ising spins, IMs can naturally solve unconstrained combinatorial optimization…

Emerging Technologies · Computer Science 2025-08-01 Corentin Delacour

The effectiveness of a new algorithm, parallel tempering, is studied for numerical simulations of biological molecules. These molecules suffer from a rough energy landscape. The resulting slowing down in numerical simulations is overcome by…

Chemical Physics · Physics 2009-10-30 Ulrich H. E. Hansmann

Inspired by the developments in quantum computing, building domain-specific classical hardware to solve computationally hard problems has received increasing attention. Here, by introducing systematic sparsification techniques, we…

Combinatorial optimization has wide applications from industry to natural science. Ising machines bring an emerging computing paradigm for efficiently solving a combinatorial optimization problem by searching a ground state of a given Ising…

Statistical Mechanics · Physics 2024-07-16 Kentaro Ohno , Tatsuhiko Shirai , Nozomu Togawa

Parallel tempering, also known as replica exchange sampling, is an important method for simulating complex systems. In this algorithm simulations are conducted in parallel at a series of temperatures, and the key feature of the algorithm is…

Probability · Mathematics 2012-06-14 Paul Dupuis , Yufei Liu , Nuria Plattner , J. D. Doll

Decades of exponential scaling in high performance computing (HPC) efficiency is coming to an end. Transistor based logic in complementary metal-oxide semiconductor (CMOS) technology is approaching physical limits beyond which further…

Machine Learning · Computer Science 2024-02-01 Fiona Knoll , John T. Daly , Jess J. Meyer

Parallel tempering is a meta-algorithm for Markov Chain Monte Carlo that uses multiple chains to sample from tempered versions of the target distribution, enhancing mixing in multi-modal distributions that are challenging for traditional…

Computation · Statistics 2024-12-30 Daniel Zhao , Natesh S. Pillai

Combinatorial optimization problems are crucial in industry. However, many COPs are NP-hard, causing the search space to grow exponentially with problem size and rendering large-scale instances computationally intractable. Conventional…

Emerging Technologies · Computer Science 2026-02-27 Eiji Kawase , Shuta Kikuchi , Hideaki Tamai , Shu Tanaka

New sampling algorithms based on simulating continuous-time stochastic processes called piece-wise deterministic Markov processes (PDMPs) have shown considerable promise. However, these methods can struggle to sample from multi-modal or…

Methodology · Statistics 2022-05-31 Matthew Sutton , Robert Salomone , Augustin Chevallier , Paul Fearnhead

We propose a parallel version of the cross interpolation algorithm and apply it to calculate high-dimensional integrals motivated by Ising model in quantum physics. In contrast to mainstream approaches, such as Monte Carlo and quasi Monte…

Numerical Analysis · Mathematics 2019-08-27 Sergey Dolgov , Dmitry Savostyanov

We proposed the method that translates the 2-D CSP for minimizing the number of cuts to the Ising model. After that, we conducted computer experiments of the proposed model using the benchmark problem. From the above, the following results…

Data Structures and Algorithms · Computer Science 2021-04-01 Hiroshi Arai , Harumi Haraguchi

We study metastability and mixing time for a non-reversible probabilistic cellular automaton. With a suitable choice of the parameters, we first show that the stationary distribution is close in total variation to a low temperature Ising…

Probability · Mathematics 2014-07-25 Paolo Dai Pra , Benedetto Scoppola , Elisabetta Scoppola

Simulated tempering is popular method of allowing MCMC algorithms to move between modes of a multimodal target density {\pi}. One problem with simulated tempering for multimodal targets is that the weights of the various modes change for…

Computation · Statistics 2019-02-12 Nicholas G. Tawn , Gareth O. Roberts , Jeffrey S. Rosenthal

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…

Computation · Statistics 2018-10-16 Nicholas G. Tawn , Gareth O. Roberts

A variant of the parallel tempering method is proposed in terms of a stochastic switching process for the coupled dynamics of replica configuration and temperature permutation. This formulation is shown to facilitate the analysis of the…

Chemical Physics · Physics 2017-12-20 Jianfeng Lu , Eric Vanden-Eijnden