English

Eyring-Kramers exit rates for the overdamped Langevin dynamics: the case with saddle points on the boundary

Probability 2022-07-20 v1 Analysis of PDEs

Abstract

Let (Xt)t0(X_t)_{t\ge 0} be the stochastic process solution to the overdamped Langevin dynamics dXt=f(Xt)dt+hdBtdX_t=-\nabla f(X_t) \, dt +\sqrt h \, dB_t and let ΩRd\Omega \subset \mathbb R^d be the basin of attraction of a local minimum of f:RdRf: \mathbb R^d \to \mathbb R. Up to a small perturbation of Ω\Omega to make it smooth, we prove that the exit rates of (Xt)t0(X_t)_{t\ge 0} from Ω\Omega through each of the saddle points of ff on Ω\partial \Omega can be parametrized by the celebrated Eyring-Kramers laws, in the limit h0h \to 0. This result provides firm mathematical grounds to jump Markov models which are used to model the evolution of molecular systems, as well as to some numerical methods which use these underlying jump Markov models to efficiently sample metastable trajectories of the overdamped Langevin dynamics.

Keywords

Cite

@article{arxiv.2207.09284,
  title  = {Eyring-Kramers exit rates for the overdamped Langevin dynamics: the case with saddle points on the boundary},
  author = {Tony Lelièvre and Dorian Le Peutrec and Boris Nectoux},
  journal= {arXiv preprint arXiv:2207.09284},
  year   = {2022}
}