title: Rare-event sampling: occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods.
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.
authors.affiliation: Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA.
authors.forename: J D
authors.initials: JD
authors.lastname: Doll
authors.forename: Nuria
authors.initials: N
authors.lastname: Plattner
authors.forename: David L
authors.initials: DL
authors.lastname: Freeman
authors.forename: Yufei
authors.initials: Y
authors.lastname: Liu
authors.forename: Paul
authors.initials: P
authors.lastname: Dupuis