Temperature and Friction Accelerated Sampling of Boltzmann-Gibbs Distribution

Details Temperature and Friction Accelerated Sampling of Boltzmann-Gibbs Distribution Temperature and Friction Accelerated Sampling of Boltzmann-Gibbs Distribution

2010-07-06

arxiv.org/abs/1007.0995v1

Physics

Computational Physics

15 pages, 6 figures

Scientific paper

This paper is concerned with tuning friction and temperature in Langevin dynamics for fast sampling from the canonical ensemble. We show that near-optimal acceleration is achieved by choosing friction so that the local quadratic approximation of the Hamiltonian is a critical damped oscillator. The system is also over-heated and cooled down to its final temperature. The performances of different cooling schedules are analyzed as functions of total simulation time.

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