Variational Neural and Tensor Network Approximations of Thermal States

Abstract

We introduce a variational Monte Carlo algorithm for approximating finite-temperature quantum many-body systems, based on the minimization of a modified free energy. This approach directly approximates the state at a fixed temperature, allowing for systematic improvement of the ansatz expressiveness without accumulating errors from iterative imaginary time evolution. We employ a variety of trial states -- both tensor networks as well as neural networks -- as variational Ans\"atze for our numerical optimization. We benchmark and compare different constructions in the above classes, both for one- and two-dimensional problems, with systems made of up to $N=100$ spins. Our results demonstrate that while restricted Boltzmann machines show limitations, string bond tensor network states exhibit systematic improvements with increasing bond dimensions and the number of strings.