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    Deep Autoregressive Models for the Efficient Variational Simulation of Many-Body Quantum Systems

    Or Sharir1,*, Yoav Levine1,†, Noam Wies1,‡, Giuseppe Carleo2,§, and Amnon Shashua1,∥

    • 1The Hebrew University of Jerusalem, Jerusalem 9190401, Israel
    • 2Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

    • *or.sharir@cs.huji.ac.il
    • †yoavlevine@cs.huji.ac.il
    • ‡noam.wies@cs.huji.ac.il
    • §gcarleo@flatironinstitute.org
    • ∥shashua@cs.huji.ac.il

    Phys. Rev. Lett. 124, 020503 – Published 16 January, 2020

    DOI: https://doi.org/10.1103/PhysRevLett.124.020503

    Abstract

    Artificial neural networks were recently shown to be an efficient representation of highly entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in variational Monte Carlo method, most notably the use of Markov-chain Monte Carlo (MCMC) sampling to estimate quantum expectations. The local stochastic sampling in MCMC caps the potential advantages of neural networks in two ways: (i) Its intrinsic computational cost sets stringent practical limits on the width and depth of the networks, and therefore limits their expressive capacity; (ii) its difficulty in generating precise and uncorrelated samples can result in estimations of observables that are very far from their true value. Inspired by the state-of-the-art generative models used in machine learning, we propose a specialized neural-network architecture that supports efficient and exact sampling, completely circumventing the need for Markov-chain sampling. We demonstrate our approach for two-dimensional interacting spin models, showcasing the ability to obtain accurate results on larger system sizes than those currently accessible to neural-network quantum states.

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