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Population annealing is an efficient sequential Monte Carlo algorithm for simulating equilibrium states of systems with rough free energy landscapes. The theory of population annealing is presented, and systematic and statistical errors are…

Disordered Systems and Neural Networks · Physics 2015-12-21 Wenlong Wang , Jonathan Machta , Helmut G. Katzgraber

Population annealing is an easily parallelizable sequential Monte Carlo algorithm that is well-suited for simulating the equilibrium properties of systems with rough free energy landscapes. In this work we seek to understand and improve the…

Statistical Mechanics · Physics 2018-03-20 Chris Amey , Jon Machta

Population annealing is a recent addition to the arsenal of the practitioner in computer simulations in statistical physics and beyond that is found to deal well with systems with complex free-energy landscapes. Above all else, it promises…

Statistical Mechanics · Physics 2021-05-05 Martin Weigel , Lev Yu. Barash , Lev N. Shchur , Wolfhard Janke

The population annealing algorithm introduced by Hukushima and Iba is described. Population annealing combines simulated annealing and Boltzmann weighted differential reproduction within a population of replicas to sample equilibrium…

Statistical Mechanics · Physics 2015-03-17 Jon Machta

Population Monte Carlo simulations in the form commonly referred to as population annealing can serve as a useful meta-algorithm for simulating systems with complex free-energy landscapes. In the present paper we provide an easily…

Statistical Mechanics · Physics 2024-01-17 P. L. Ebert , D. Gessert , W. Janke , M. Weigel

The population annealing algorithm is a population-based equilibrium version of simulated annealing. It can sample thermodynamic systems with rough free-energy landscapes more efficiently than standard Markov chain Monte Carlo alone. A…

Statistical Mechanics · Physics 2024-01-17 Denis Gessert , Wolfhard Janke , Martin Weigel

Population annealing is a sequential Monte Carlo scheme well-suited to simulating equilibrium states of systems with rough free energy landscapes. Here we use population annealing to study a binary mixture of hard spheres. Population…

Statistical Mechanics · Physics 2017-07-27 Jared Callaham , Jon Machta

Population annealing is a Monte Carlo algorithm that marries features from simulated annealing and parallel tempering Monte Carlo. As such, it is ideal to overcome large energy barriers in the free-energy landscape while minimizing a…

Disordered Systems and Neural Networks · Physics 2015-07-08 Wenlong Wang , Jonathan Machta , Helmut G. Katzgraber

Population annealing (PA) is a population-based algorithm that is designed for equilibrium simulations of thermodynamic systems with a rough free energy landscape. It is known to be more efficient in doing so than standard Markov chain…

Statistical Mechanics · Physics 2022-04-04 Denis Gessert , Martin Weigel , Wolfhard Janke

Population annealing is a powerful tool for large-scale Monte Carlo simulations. We adapt this method to molecular dynamics simulations and demonstrate its excellent accelerating effect by simulating the folding of a short peptide commonly…

Computational Physics · Physics 2019-02-27 Henrik Christiansen , Martin Weigel , Wolfhard Janke

Thermal boundary conditions has played an increasingly important role in revealing the nature of short-range spin glasses and is likely to be relevant also for other disordered systems. Diffusion method initializing each replica with a…

Disordered Systems and Neural Networks · Physics 2016-06-22 Wenlong Wang

Population annealing Monte Carlo is an efficient sequential algorithm for simulating k-local Boolean Hamiltonians. Because of its structure, the algorithm is inherently parallel and therefore well suited for large-scale simulations of…

Disordered Systems and Neural Networks · Physics 2018-11-26 Amin Barzegar , Christopher Pattison , Wenlong Wang , Helmut G. Katzgraber

Population Annealing, one of the currently state-of-the-art algorithms for solving spin-glass systems, sometimes finds hard disorder instances for which its equilibration quality at each temperature step is severely damaged. In such cases…

Estimating the density of states of systems with rugged free energy landscapes is a notoriously difficult task of the utmost importance in many areas of physics ranging from spin glasses to biopolymers. Density of states estimation has also…

Statistical Mechanics · Physics 2019-07-31 Lev Barash , Jeffrey Marshall , Martin Weigel , Itay Hen

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…

Statistical Mechanics · Physics 2011-09-05 Jon Machta , Richard S. Ellis

Population annealing is a variant of the simulated annealing algorithm that improves the quality of the thermalization process in systems with rough free-energy landscapes by introducing a resampling process. We consider the diluted…

Statistical Mechanics · Physics 2025-08-26 Fernando Martínez-García , Diego Porras

Annealing algorithms such as simulated annealing and population annealing are widely used both for sampling the Gibbs distribution and solving optimization problems (i.e. finding ground states). For both statistical mechanics and…

Statistical Mechanics · Physics 2024-05-13 Amin Barzegar , Firas Hamze , Christopher Amey , Jonathan Machta

Population annealing is a hybrid of sequential and Markov chain Monte Carlo methods geared towards the efficient parallel simulation of systems with complex free-energy landscapes. Systems with first-order phase transitions are among the…

Computational Physics · Physics 2017-04-07 Lev Yu. Barash , Martin Weigel , Lev N. Shchur , Wolfhard Janke

Ensemble methods combine the predictions of multiple models to improve performance, but they require significantly higher computation costs at inference time. To avoid these costs, multiple neural networks can be combined into one by…

Machine Learning · Computer Science 2024-05-07 Alexia Jolicoeur-Martineau , Emy Gervais , Kilian Fatras , Yan Zhang , Simon Lacoste-Julien

Sampling from a multimodal distribution is a fundamental and challenging problem in computational science and statistics. Among various approaches proposed for this task, one popular method is Annealed Importance Sampling (AIS). In this…

Computation · Statistics 2024-11-07 Haoxuan Chen , Lexing Ying
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