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On performance measures for infinite swapping Monte Carlo methods
1Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA.
Abstract:
We introduce and illustrate a number of performance measures for rare-event sampling methods. These measures are designed to be of use in a variety of expanded ensemble techniques including parallel tempering as well as infinite and partial infinite swapping approaches. Using a variety of selected applications, we address questions concerning the variation of sampling performance with respect to key computational ensemble parameters.
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