Calculating Rényi entropies with neural autoregressive quantum states

Abstract

Entanglement entropy is an essential metric for characterizing quantum many-body systems, but its numerical evaluation for neural network representations of quantum states has so far been inefficient and demonstrated only for the restricted Boltzmann machine architecture. Here, we estimate generalized Renyi entropies of autoregressive neural quantum states with up to N=256 spins using quantum Monte Carlo methods. A naive "direct sampling" approach performs well for low-order Renyi entropies but fails for larger orders when benchmarked on a 1D Heisenberg model. We therefore propose an improved "conditional sampling" method exploiting the autoregressive structure of the network ansatz, which outperforms direct sampling and facilitates calculations of higher-order Renyi entropies in both 1D and 2D Heisenberg models. Access to higher-order Renyi entropies allows for an approximation of the von Neumann entropy as well as extraction of the single copy entanglement. Both methods elucidate the potential of neural network quantum states in quantum Monte Carlo studies of entanglement entropy for many-body systems.