Hamiltonian reconstruction as metric for variational studies

Abstract

Variational approaches are among the most powerful modern techniques to approximately solve quantum many-body problems. These encompass both variational states based on tensor or neural networks, and parameterized quantum circuits in variational quantum eigensolvers. However, self-consistent evaluation of the quality of variational wavefunctions is a notoriously hard task. Using a recently developed Hamiltonian reconstruction method, we propose a multi-faceted approach to evaluating the quality of neural-network based wavefunctions. Specifically, we consider convolutional neural network (CNN) and restricted Boltzmann machine (RBM) states trained on a square lattice spin-1/2 $J_1$-$J_2$ Heisenberg model. We find that the reconstructed Hamiltonians are typically less frustrated, and have easy-axis anisotropy near the high frustration point. Furthermore, the reconstructed Hamiltonians suppress quantum fluctuations in the large $J_2$ limit. Our results highlight the critical importance of the wavefunction's symmetry. Moreover, the multi-faceted insight from the Hamiltonian reconstruction reveals that a variational wave function can fail to capture the true ground state through suppression of quantum fluctuations.