Variational Quantum Eigensolver: A Comparative Analysis of Classical and Quantum Optimizer Methods

Abstract

In this study, we investigated the Variational Quantum Eigensolver (VQE) application for the Ising model as a testbed model, in which we thoroughly delved into several optimizers, both classical and quantum, and analyzed the extent to which each of these methods would offer a benefit. We then investigated a new combinatorial optimization scheme, termed QN-SPSA+PSR, in which the Fubini-Study metric is approximated within the Quantum Natural Gradient (QN) framework, with its inner gradient estimated by the Simultaneous Perturbation Stochastic Approximation (SPSA), while the outer gradient of the cost function is evaluated exactly by the Parameter-Shift Rule (PSR). The QN-SPSA+PSR method integrates the QN-SPSA computational efficiency with the precise gradient computation of the PSR, improving the stability of QN-SPSA-based and convergence speed per parameter update while maintaining low computational consumption. Our results provide a potential performance improvement in the VQAs' optimization subroutine, even in Quantum Machine Learning's optimization section, and enhance viable paths toward efficient quantum simulations on Noisy Intermediate-Scale Quantum Computing (NISQ) devices. Additionally, we also conducted a detailed study of quantum circuit ansatz structures in order to find the one that would work best with the Ising model and NISQ, in which we utilized the properties of the investigated model.