Aggregation Methods for Computing Steady-States in Statistical Physics

22 Sep 2022  ·  Gabriel Earle, Brian Van Koten ·

We give a new proof of local convergence of a multigrid method called iterative aggregation/disaggregation (IAD) for computing steady-states of Markov chains. Our proof leads naturally to a precise and interpretable estimate of the asymptotic rate of convergence. We study IAD as a model of more complex methods from statistical physics for computing nonequilibrium steady-states, such as the nonequilibrium umbrella sampling method of Warmflash, et al. We explain why it may be possible to use methods like IAD to efficiently calculate steady-states of models in statistical physics and how to choose parameters to optimize efficiency.

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Numerical Analysis Statistical Mechanics Numerical Analysis Chemical Physics 60J22, 82C80, 65C05