Repository: Freie Universit├Ąt Berlin, Math Department

Rare-event sampling: Occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods

Doll, J. D. and Plattner, N. and Freeman, D. L. and Liu, Y. and Dupuis, P. (2012) Rare-event sampling: Occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods. The Journal of Chemical Physics, 137 (20). p. 204112. ISSN 00219606

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Official URL: http://dx.doi.org/10.1063/1.4765060

Abstract

In the present paper we identify a rigorous property of a number of tempering-based Monte Carlo sampling methods, including parallel tempering as well as partial and infinite swapping. Based on this property we develop a variety of performance measures for such rare-event sampling methods that are broadly applicable, informative, and straightforward to implement. We illustrate the use of these performance measures with a series of applications involving the equilibrium properties of simple Lennard-Jones clusters, applications for which the performance levels of partial and infinite swapping approaches are found to be higher than those of conventional parallel tempering.

Item Type:Article
Subjects:Physical Sciences > Chemistry
ID Code:1253
Deposited By: BioComp Admin
Deposited On:19 Apr 2013 12:21
Last Modified:19 Apr 2013 12:21

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