• Open Access

Neural network wave functions and the sign problem

Attila Szabó and Claudio Castelnovo
Phys. Rev. Research 2, 033075 – Published 15 July 2020

Abstract

Neural quantum states (NQS) are a promising approach to study many-body quantum physics. However, they face a major challenge when applied to lattice models: convolutional networks struggle to converge to ground states with a nontrivial sign structure. We tackle this problem by proposing a neural network architecture with a simple, explicit, and interpretable phase Ansatz, which can robustly represent such states and achieve state-of-the-art variational energies for both conventional and frustrated antiferromagnets. In the latter case, our approach uncovers low-energy states that exhibit the Marshall sign rule and are therefore inconsistent with the expected ground state. Such states are the likely cause of the obstruction for NQS-based variational Monte Carlo to access the true ground states of these systems. We discuss the implications of this observation and suggest potential strategies to overcome the problem.

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  • Received 14 February 2020
  • Accepted 9 June 2020

DOI:https://doi.org/10.1103/PhysRevResearch.2.033075

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Attila Szabó and Claudio Castelnovo

  • TCM Group, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom

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Issue

Vol. 2, Iss. 3 — July - September 2020

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