Measurement-efficient ADAPT-VQE with the SOAP parameter optimizer

Abstract

Quantum computing on near-term noisy intermediate-scale quantum devices holds significant promise for simulating complex chemical systems. Among various variational quantum algorithms, the adaptive derivative-assembled pseudo-Trotter ansatz variational quantum eigensolver (ADAPT-VQE) is widely used for generating molecule-specific adaptive ansätze for different molecules, yet its measurement requirement is extensive, calling for suitable optimizers. In this study, we utilize the ADAPT-VQE algorithm enhanced by a powerful optimizer termed sequential optimization with an approximate parabola (SOAP) to calculate molecular energies. These computations are carried out through classical simulations using the TenCirChem software. Our results demonstrate the efficiency and robustness of the SOAP optimizer for ADAPT-VQE. Furthermore, we show that SOAP performs effectively across different ADAPT-VQE ansatz element pools. This work presents a strategy to mitigate the substantial measurement requirements associated with ADAPT-VQE.