Literature DB >> 33737630

A cautionary tale for machine learning generated configurations in presence of a conserved quantity.

Ahmadreza Azizi1,2, Michel Pleimling3,4,5.   

Abstract

We investigate the performance of machine learning algorithms trained exclusively with configurations obtained from importance sampling Monte Carlo simulations of the two-dimensional Ising model with conserved magnetization. For supervised machine learning, we use convolutional neural networks and find that the corresponding output not only allows to locate the phase transition point with high precision, it also displays a finite-size scaling characterized by an Ising critical exponent. For unsupervised learning, restricted Boltzmann machines (RBM) are trained to generate new configurations that are then used to compute various quantities. We find that RBM generates configurations with magnetizations and energies forbidden in the original physical system. The RBM generated configurations result in energy density probability distributions with incorrect weights as well as in wrong spatial correlations. We show that shortcomings are also encountered when training RBM with configurations obtained from the non-conserved Ising model.

Entities:  

Year:  2021        PMID: 33737630     DOI: 10.1038/s41598-021-85683-8

Source DB:  PubMed          Journal:  Sci Rep        ISSN: 2045-2322            Impact factor:   4.379


  14 in total

1.  Predicting crystal structures with data mining of quantum calculations.

Authors:  Stefano Curtarolo; Dane Morgan; Kristin Persson; John Rodgers; Gerbrand Ceder
Journal:  Phys Rev Lett       Date:  2003-09-24       Impact factor: 9.161

2.  Predicting crystal structure by merging data mining with quantum mechanics.

Authors:  Christopher C Fischer; Kevin J Tibbetts; Dane Morgan; Gerbrand Ceder
Journal:  Nat Mater       Date:  2006-07-09       Impact factor: 43.841

3.  Machine learning of phase transitions in the percolation and XY models.

Authors:  Wanzhou Zhang; Jiayu Liu; Tzu-Chieh Wei
Journal:  Phys Rev E       Date:  2019-03       Impact factor: 2.529

4.  Neural Network Renormalization Group.

Authors:  Shuo-Hui Li; Lei Wang
Journal:  Phys Rev Lett       Date:  2018-12-28       Impact factor: 9.161

5.  Smallest neural network to learn the Ising criticality.

Authors:  Dongkyu Kim; Dong-Hee Kim
Journal:  Phys Rev E       Date:  2018-08       Impact factor: 2.529

6.  Solving the quantum many-body problem with artificial neural networks.

Authors:  Giuseppe Carleo; Matthias Troyer
Journal:  Science       Date:  2017-02-10       Impact factor: 47.728

7.  Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination.

Authors:  Wenjian Hu; Rajiv R P Singh; Richard T Scalettar
Journal:  Phys Rev E       Date:  2017-06-19       Impact factor: 2.529

8.  Unsupervised learning of phase transitions: From principal component analysis to variational autoencoders.

Authors:  Sebastian J Wetzel
Journal:  Phys Rev E       Date:  2017-08-18       Impact factor: 2.529

9.  Self-learning projective quantum Monte Carlo simulations guided by restricted Boltzmann machines.

Authors:  S Pilati; E M Inack; P Pieri
Journal:  Phys Rev E       Date:  2019-10       Impact factor: 2.529

10.  Generating the conformational properties of a polymer by the restricted Boltzmann machine.

Authors:  Wancheng Yu; Yuan Liu; Yuguo Chen; Ying Jiang; Jeff Z Y Chen
Journal:  J Chem Phys       Date:  2019-07-21       Impact factor: 3.488

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