Sampling constrained stochastic trajectories using Brownian bridges

Author:

Koehl Patrice1ORCID,Orland Henri2ORCID

Affiliation:

1. Department of Computer Sciences, University of California, Davis, California 95616, USA

2. Université Paris-Saclay, Institut de Physique Théorique, CEA, CNRS, F-91191 Gif-sur-Yvette, France

Abstract

We present a new method to sample conditioned trajectories of a system evolving under Langevin dynamics based on Brownian bridges. The trajectories are conditioned to end at a certain point (or in a certain region) in space. The bridge equations can be recast exactly in the form of a non-linear stochastic integro-differential equation. This equation can be very well approximated when the trajectories are closely bundled together in space, i.e., at low temperature, or for transition paths. The approximate equation can be solved iteratively using a fixed point method. We discuss how to choose the initial trajectories and show some examples of the performance of this method on some simple problems. This method allows us to generate conditioned trajectories with a high accuracy.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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