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Adaptive Monte Carlo augmented with normalizing flows.
Gabrié, Marylou; Rotskoff, Grant M; Vanden-Eijnden, Eric.
Afiliação
  • Gabrié M; Center for Computational Mathematics, Flatiron Institute, New York, NY 10010.
  • Rotskoff GM; Center for Data Science, New York University, New York, NY 10011.
  • Vanden-Eijnden E; Department of Chemistry, Stanford University, Stanford, CA 94305.
Proc Natl Acad Sci U S A ; 119(10): e2109420119, 2022 03 08.
Article em En | MEDLINE | ID: mdl-35235453
ABSTRACT
SignificanceMonte Carlo methods, tools for sampling data from probability distributions, are widely used in the physical sciences, applied mathematics, and Bayesian statistics. Nevertheless, there are many situations in which it is computationally prohibitive to use Monte Carlo due to slow "mixing" between modes of a distribution unless hand-tuned algorithms are used to accelerate the scheme. Machine learning techniques based on generative models offer a compelling alternative to the challenge of designing efficient schemes for a specific system. Here, we formalize Monte Carlo augmented with normalizing flows and show that, with limited prior data and a physically inspired algorithm, we can substantially accelerate sampling with generative models.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article