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Rare event analysis via stochastic optimal control

Wednesday 11:00 Los Angeles (GMT-7)

Recording available

Berkeley, United States
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Recording

49 min

Abstract

Rare molecular and physical transitions are difficult to observe in ordinary simulations. This talk casts estimation of the committor function as stochastic optimal control, using feedback to sample reactive trajectories. It develops backpropagation and off-policy Value Matching objectives, addresses trapping in intermediate metastable states, and compares committor, rate and equilibrium estimates on benchmark systems.

Topics

physical transitionscommittor functionstochastic optimal controlreactive trajectoriesbackpropagationoff-policy Value Matchingmetastable statesequilibrium estimates