Thermodynamics and feature extraction by machine learning

Shotaro Shiba

doi:10.1103/PhysRevResearch.2.033415

2020-09-15

Shotaro Shiba *

Dimitrios Giataganas

DOI：10.1103/PhysRevResearch.2.033415

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Machine learning methods are powerful in distinguishing different phases of matter in an automated way and provide a new perspective on the study of physical phenomena. We train a restricted Boltzmann machine (RBM) on data constructed with spin configurations sampled from the Ising Hamiltonian at different values of temperature and external magnetic field using Monte Carlo methods. From the trained machine we obtain the flow of iterative reconstruction of spin state configurations to faithfully reproduce the observables of the physical system. We find that the flow of the trained RBM approaches the spin configurations of the maximal possible specific heat which resemble the near-criticality region of the Ising model. In the special case of the vanishing magnetic field the trained RBM converges to the critical point of the renormalization group (RG) flow of the lattice model. Our results suggest an explanation of how the machine identifies the physical phase transitions, by recognizing certain properties of the configuration like the maximization of the specific heat, instead of associating directly the recognition procedure with the RG flow and its fixed points. Then from the reconstructed data we deduce the critical exponent associated with the magnetization to find satisfactory agreement with the actual physical value. We assume no prior knowledge about the criticality of the system and its Hamiltonian.