Phenomenological Theory of Variational Quantum Ground-State Preparation

Abstract: The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a Hamiltonian exploiting parametrized quantum circuits that may offer an advantage compared to classical trial states used, for instance, in quantum Monte Carlo or tensor network calculations. While traditionally, the main focus has been on developing better trial circuits, we show that the algorithm's success crucially depends on other parameters such as the learning rate, the number $N_s$ of measurements to estimate the gradient components, and the Hamiltonian gap $\Delta$. We first observe the existence of a finite $N_s$ value below which the optimization is impossible, and the energy variance resembles the behavior of the specific heat in second-order phase transitions. Secondly, when $N_s$ is above such threshold level, and learning is possible, we develop a phenomenological model that relates the fidelity of the state preparation with the optimization hyperparameters as well as $\Delta$. More specifically, we observe that the computational resources scale as $1/\Delta^2$, and we propose a symmetry-enhanced simulation protocol that should be used if the gap closes. We test our understanding on several instances of two-dimensional frustrated quantum magnets, which are believed to be the most promising candidates for near-term quantum advantage through variational quantum simulations.