Geometric integrators and the Hamiltonian Monte Carlo method
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Publication:5230516
DOI10.1017/S0962492917000101zbMATH Open1431.65004arXiv1711.05337OpenAlexW2768877132WikidataQ129871765 ScholiaQ129871765MaRDI QIDQ5230516FDOQ5230516
Authors: Nawaf Bou-Rabee, Jesús María Sanz-Serna 
Publication date: 28 August 2019
Published in: Acta Numerica (Search for Journal in Brave)
Abstract: This paper surveys in detail the relations between numerical integration and the Hamiltonian (or hybrid) Monte Carlo method (HMC). Since the computational cost of HMC mainly lies in the numerical integrations, these should be performed as efficiently as possible. However, HMC requires methods that have the geometric properties of being volume-preserving and reversible, and this limits the number of integrators that may be used. On the other hand, these geometric properties have important quantitative implications on the integration error, which in turn have an impact on the acceptance rate of the proposal. While at present the velocity Verlet algorithm is the method of choice for good reasons, we argue that Verlet can be improved upon. We also discuss in detail the behavior of HMC as the dimensionality of the target distribution increases.
Full work available at URL: https://arxiv.org/abs/1711.05337
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