2022arXiv (Cornell University)Open access

Metropolis Augmented Hamiltonian Monte Carlo

Guangyao Zhou

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Abstract

Hamiltonian Monte Carlo (HMC) is a powerful Markov Chain Monte Carlo (MCMC) method for sampling from complex high-dimensional continuous distributions. However, in many situations it is necessary or desirable to combine HMC with other Metropolis-Hastings (MH) samplers. The common HMC-within-Gibbs strategy implies a trade-off between long HMC trajectories and more frequent other MH updates. Addressing this trade-off has been the focus of several recent works. In this paper we propose Metropolis Augmented Hamiltonian Monte Carlo (MAHMC), an HMC variant that allows MH updates within HMC and eliminates this trade-off. Experiments on two representative examples demonstrate MAHMC's efficiency and ease of use when compared with within-Gibbs alternatives.

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Hamiltonian Monte Carlo (HMC) is a powerful Markov Chain Monte Carlo (MCMC) method for sampling from complex high-dimensional continuous distributions. However, in many situations it is necessary or desirable to combine HMC with other Metropolis-Hastings (MH) samplers. The common HMC-within-Gibbs strategy implies a trade-off between long HMC trajectories and more frequent other MH updates. Addressing this trade-off has been the focus of several recent works. In this paper we propose Metropolis Augmented Hamiltonian Monte Carlo (MAHMC), an HMC variant that allows MH updates within HMC and eliminates this trade-off. Experiments on two representative examples demonstrate MAHMC's efficiency and ease of use when compared with within-Gibbs alternatives.

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Available abstract

Hamiltonian Monte Carlo (HMC) is a powerful Markov Chain Monte Carlo (MCMC) method for sampling from complex high-dimensional continuous distributions. However, in many situations it is necessary or desirable to combine HMC with other Metropolis-Hastings (MH) samplers. The common HMC-within-Gibbs strategy implies a trade-off between long HMC trajectories and more frequent other MH updates. Addressing this trade-off has been the focus of several recent works. In this paper we propose Metropolis Augmented Hamiltonian Monte Carlo (MAHMC), an HMC variant that allows MH updates within HMC and eliminates this trade-off. Experiments on two representative examples demonstrate MAHMC's efficiency and ease of use when compared with within-Gibbs alternatives.

Key concepts: Markov chain Monte Carlo, Hybrid Monte Carlo, Metropolis–Hastings algorithm, Monte Carlo method, Rejection sampling, Statistical physics, Gibbs sampling, Monte Carlo molecular modeling

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