Dual-VQE: A quantum algorithm to lower bound the ground-state energy

Hanna Westerheim, Jingxuan Chen, Zoë Holmes, Ivy Luo, Theshani Nuradha, Dhrumil Patel, Soorya Rethinasamy, Kathie Wang, Mark M. Wilde

Published 2023-12-05Version 1

The variational quantum eigensolver (VQE) is a hybrid quantum--classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the reach of classical brute-force simulation, it is important to assess the quality of solutions produced by them. Here we propose a dual variational quantum eigensolver (dual-VQE) that produces a lower-bound estimate of the ground-state energy. As such, VQE and dual-VQE can serve as quality checks on their solutions; in the ideal case, the VQE upper bound and the dual-VQE lower bound form an interval containing the true optimal value of the ground-state energy. The idea behind dual-VQE is to employ semi-definite programming duality to rewrite the ground-state optimization problem as a constrained maximization problem, which itself can be bounded from below by an unconstrained optimization problem to be solved by a variational quantum algorithm. When using a convex combination ansatz in conjunction with a classical generative model, the quantum computational resources needed to evaluate the objective function of dual-VQE are no greater than those needed for that of VQE. We simulated the performance of dual-VQE on the transverse-field Ising model, and found that, for the example considered, while dual-VQE training is slower and noisier than VQE, it approaches the true value with error of order $10^{-2}$.