Error bars for Markov chain Monte Carlo data streams
ORAL
Abstract
Error bars are typically assigned to Markov chain Monte Carlo data by either an uncorrelated analysis of block-averaged data or a truncated summation of the autocorrelation function. These analysis methods depend on a choice of either a block size or a truncation point in addition to a choice of equilibration point separating equilibrated from unequilibrated data. In this talk, we present a hierarchical analysis method combining block averaging and autocorrelation summation that efficiently determines the equilibration and truncation points to a predetermined relative precision. Furthermore, we implement this method to accommodate the input of arbitrarily partitioned data streams and the output of error bars on demand.
*The Molecular Sciences Software Institute is supported by grant ACI-1547580 from the National Science Foundation.
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Presenters
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Jonathan Moussa
- Virginia Tech
- Molecular Sciences Software Institute, USA