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Evolutionary reinforcement learning of dynamical large deviations

Stephen Whitelam, Daniel Jacobson, Isaac Tamblyn

2020The Journal of Chemical Physics24 citationsDOIOpen Access PDF

Abstract

We show how to bound and calculate the likelihood of dynamical large deviations using evolutionary reinforcement learning. An agent, a stochastic model, propagates a continuous-time Monte Carlo trajectory and receives a reward conditioned upon the values of certain path-extensive quantities. Evolution produces progressively fitter agents, potentially allowing the calculation of a piece of a large-deviation rate function for a particular model and path-extensive quantity. For models with small state spaces, the evolutionary process acts directly on rates, and for models with large state spaces, the process acts on the weights of a neural network that parameterizes the model's rates. This approach shows how path-extensive physics problems can be considered within a framework widely used in machine learning.

Topics & Concepts

Reinforcement learningPath (computing)TrajectoryComputer scienceProcess (computing)Artificial neural networkMonte Carlo methodState (computer science)Function (biology)Large deviations theoryStatistical physicsArtificial intelligenceMathematical optimizationMathematicsAlgorithmPhysicsStatisticsBiologyProgramming languageOperating systemEvolutionary biologyAstronomyAdvanced Thermodynamics and Statistical MechanicsModel Reduction and Neural NetworksMachine Learning in Materials Science
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