@article{c15bb98372ce448b9e1589687742a023,
title = "Asymptotically unbiased estimation of physical observables with neural samplers",
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.",
author = "Nicoli, {Kim A.} and Shinichi Nakajima and Nils Strodthoff and Wojciech Samek and M{\"u}ller, {Klaus Robert} and Pan Kessel",
note = "Funding Information: This work was partly supported by the German Ministry for Education and Research (BMBF) under Grants No. 01IS14013A-E, No. 01GQ1115, No. 01GQ0850, No. 01IS18025A and No. 01IS18037A. This work is also supported by the Information & Communications Technology Planning & Evaluation (IITP) grant funded by the Korea government (Grant No. 2017-0-001779) and by the Deutsche Forschungsgesellschaft (DFG) under Grant No. EXC 2046/1, Project ID 390685689. Part of this research was performed while one of the authors was visiting the Institute for Pure and Applied Mathematics (IPAM), which is supported by the National Science Foundation (Grant No. DMS-1440415). The authors acknowledge valuable comments by Frank Noe and Alex Tkatchenko to an earlier version of the manuscript. Publisher Copyright: {\textcopyright} 2020 American Physical Society.",
year = "2020",
month = feb,
doi = "10.1103/PhysRevE.101.023304",
language = "English",
volume = "101",
journal = "Physical Review E",
issn = "2470-0045",
publisher = "American Physical Society",
number = "2",
}