{"title":"Mixing of Hamiltonian Monte Carlo on strongly log-concave distributions: Continuous dynamics","authors":"Oren Mangoubi, Aaron Smith","doi":"10.1214/20-aap1640","DOIUrl":null,"url":null,"abstract":"We obtain several quantitative bounds on the mixing properties of an “ideal” Hamiltonian Monte Carlo (HMC) Markov chain for a strongly log-concave target distribution π on R. Our main result says that the HMC Markov chain generates a sample with Wasserstein error in roughly O(κ log(1/ )) steps, where the condition number κ = M2 m2 is the ratio of the maximum M2 and minimum m2 eigenvalues of the Hessian of − log(π). In particular, this mixing bound does not depend explicitly on the dimension d. These results significantly extend and improve previous quantitative bounds on the mixing of ideal HMC, and can be used to analyze more realistic HMC algorithms. The main ingredient of our argument is a proof that initially “parallel” Hamiltonian trajectories contract over much longer steps than would be predicted by previous heuristics based on the Jacobi manifold.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2021-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"17","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1214/20-aap1640","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 17
Abstract
We obtain several quantitative bounds on the mixing properties of an “ideal” Hamiltonian Monte Carlo (HMC) Markov chain for a strongly log-concave target distribution π on R. Our main result says that the HMC Markov chain generates a sample with Wasserstein error in roughly O(κ log(1/ )) steps, where the condition number κ = M2 m2 is the ratio of the maximum M2 and minimum m2 eigenvalues of the Hessian of − log(π). In particular, this mixing bound does not depend explicitly on the dimension d. These results significantly extend and improve previous quantitative bounds on the mixing of ideal HMC, and can be used to analyze more realistic HMC algorithms. The main ingredient of our argument is a proof that initially “parallel” Hamiltonian trajectories contract over much longer steps than would be predicted by previous heuristics based on the Jacobi manifold.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.