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Accelerating lattice quantum Monte Carlo simulations using artificial neural networks: Application to the Holstein model
Physical Review B (2019)
  • Shaozhi Li, University of Tennessee, Knoxville
  • Philip M. Dee, University of Tennessee, Knoxville
  • Ehsan Khatami, San Jose State University
  • Steven Johnston, University of Tennessee, Knoxville
Abstract
Monte Carlo (MC) simulations are essential computational approaches with widespread use throughout all areas of science. We present a method for accelerating lattice MC simulations using fully connected and convolutional artificial neural networks that are trained to perform local and global moves in configuration space, respectively. Both networks take local spacetime MC configurations as input features and can, therefore, be trained using samples generated by conventional MC runs on smaller lattices before being utilized for simulations on larger systems. This approach is benchmarked for the case of determinant quantum Monte Carlo (DQMC) studies of the two-dimensional Holstein model. We find that both artificial neural networks are capable of learning an unspecified effective model that accurately reproduces the MC configuration weights of the original Hamiltonian and achieve an order of magnitude speedup over the conventional DQMC algorithm. Our approach is broadly applicable to many classical and quantum lattice MC algorithms. 
Disciplines
Publication Date
July 22, 2019
DOI
10.1103/PhysRevB.100.020302
Publisher Statement
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This article was published in the Physical Review B, volume 100, issue 2, 2019, and can also be found online here.
Copyright © 2019, The American Physical Sociecty
Citation Information
Shaozhi Li, Philip M. Dee, Ehsan Khatami and Steven Johnston. "Accelerating lattice quantum Monte Carlo simulations using artificial neural networks: Application to the Holstein model" Physical Review B Vol. 100 Iss. 2 (2019) ISSN: 24699950
Available at: http://works.bepress.com/ehsan_khatami/47/