Literature DB >> 32168605

Asymptotically unbiased estimation of physical observables with neural samplers.

Kim A Nicoli1, Shinichi Nakajima2, Nils Strodthoff3, Wojciech Samek4, Klaus-Robert Müller5, Pan Kessel6.   

Abstract

We propose a general framework for the estimation of observables with generative neural samplers focusing on modern deep generative neural networks that provide an exact sampling probability. In this framework, we present asymptotically unbiased estimators for generic observables, including those that explicitly depend on the partition function such as free energy or entropy, and derive corresponding variance estimators. We demonstrate their practical applicability by numerical experiments for the two-dimensional Ising model which highlight the superiority over existing methods. Our approach greatly enhances the applicability of generative neural samplers to real-world physical systems.

Year:  2020        PMID: 32168605     DOI: 10.1103/PhysRevE.101.023304

Source DB:  PubMed          Journal:  Phys Rev E        ISSN: 2470-0045            Impact factor:   2.529


  2 in total

1.  Computing Absolute Free Energy with Deep Generative Models.

Authors:  Xinqiang Ding; Bin Zhang
Journal:  J Phys Chem B       Date:  2020-11-03       Impact factor: 2.991

2.  Adaptive Monte Carlo augmented with normalizing flows.

Authors:  Marylou Gabrié; Grant M Rotskoff; Eric Vanden-Eijnden
Journal:  Proc Natl Acad Sci U S A       Date:  2022-03-02       Impact factor: 12.779

  2 in total

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