4.7 Article

Constructing auxiliary dynamics for nonequilibrium stationary states by variance minimization

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 152, 期 10, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.5143144

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  1. Simons Collaboration on the Many-Electron Problem
  2. California Institute of Technology
  3. U.S. Department of Energy, Office of Science [DE-SC0018140]
  4. U.S. Department of Energy (DOE) [DE-SC0018140] Funding Source: U.S. Department of Energy (DOE)

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We present a strategy to construct guiding distribution functions (GDFs) based on variance minimization. Auxiliary dynamics via GDFs mitigates the exponential growth of variance as a function of bias in Monte Carlo estimators of large deviation functions. The variance minimization technique exploits the exact properties of eigenstates of the tilted operator that defines the biased dynamics in the nonequilibrium system. We demonstrate our techniques in two classes of problems. In the continuum, we show that GDFs can be optimized to study the interacting driven diffusive systems where the efficiency is systematically improved by incorporating higher correlations into the GDF. On the lattice, we use a correlator product state ansatz to study the 1D weakly asymmetric simple exclusion process. We show that with modest resources, we can capture the features of the susceptibility in large systems that mark the phase transition from uniform transport to a traveling wave state. Our work extends the repertoire of tools available to study nonequilibrium properties in realistic systems.

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