Neural Network Statistical Mechanics

Abstract: We propose a general framework to extract microscopic interactions from raw configurations with deep neural networks. The approach replaces the modeling Hamiltonian by the neural networks, in which the interaction is encoded. It can be trained with data collected from Ab initio computations or experiments. The well-trained neural networks give an accurate estimation of the possibility distribution of the configurations at fixed external parameters. It can be spontaneously extrapolated to detect the phase structures since classical statistical mechanics as prior knowledge here. We apply the approach to a 2D spin system, training at a fixed temperature, and reproducing the phase structure. Scaling the configuration on lattice exhibits the interaction changes with the degree of freedom, which can be naturally applied to the experimental measurements. Our approach bridges the gap between the real configurations and the microscopic dynamics with an autoregressive neural network.