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Accelerating Markov Chain Monte Carlo sampling with diffusion models

  • N. T. Hunt-Smith
  • , W. Melnitchouk
  • , F. Ringer
  • , N. Sato
  • , A. W. Thomas
  • , M. J. White
  • Adelaide University
  • Thomas Jefferson National Accelerator Facility

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

Global fits of physics models require efficient methods for exploring high-dimensional and/or multimodal posterior functions. We introduce a novel method for accelerating Markov Chain Monte Carlo (MCMC) sampling by pairing a Metropolis-Hastings algorithm with a diffusion model that can draw global samples with the aim of approximating the posterior. We briefly review diffusion models in the context of image synthesis before providing a streamlined diffusion model tailored towards low-dimensional data arrays. We then present our adapted Metropolis-Hastings algorithm which combines local proposals with global proposals taken from a diffusion model that is regularly trained on the samples produced during the MCMC run. Our approach leads to a significant reduction in the number of likelihood evaluations required to obtain an accurate representation of the Bayesian posterior across several analytic functions, as well as for a physical example based on a global analysis of parton distribution functions. Our method is extensible to other MCMC techniques, and we briefly compare our method to similar approaches based on normalizing flows. A code implementation can be found at https://github.com/NickHunt-Smith/MCMC-diffusion.

Original languageEnglish
Article number109059
JournalComputer Physics Communications
Volume296
DOIs
StatePublished - Mar 2024

Keywords

  • Diffusion model
  • Machine learning
  • Markov Chain Monte Carlo
  • Statistical methods

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