English

Aggregation Methods for Computing Steady-States in Statistical Physics

Numerical Analysis 2022-09-23 v1 Statistical Mechanics Numerical Analysis Chemical Physics

Abstract

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.

Keywords

Cite

@article{arxiv.2209.11164,
  title  = {Aggregation Methods for Computing Steady-States in Statistical Physics},
  author = {Gabriel Earle and Brian Van Koten},
  journal= {arXiv preprint arXiv:2209.11164},
  year   = {2022}
}