Method for Estimating Spin-Spin Interactions from Magnetization Curves

Abstract

We develop a method to estimate the spin-spin interactions in the Hamiltonian from the observed magnetization curve by machine learning based on Bayesian inference. In our method, plausible spin-spin interactions are determined by maximizing the posterior distribution, which is the conditional probability of the spin-spin interactions in the Hamiltonian for a given magnetization curve with observation noise. The conditional probability is obtained by the Markov-chain Monte Carlo simulations combined with an exchange Monte Carlo method. The efficiency of our method is tested using synthetic magnetization curve data, and the results show that spin-spin interactions are estimated with a high accuracy. In particular, the relevant terms of the spin-spin interactions are successfully selected from the redundant interaction candidates by the $l_1$ regularization in the prior distribution.