Machine learning assisted construction of a shallow depth dynamic ansatz for noisy quantum hardware.

Abstract

The development of various dynamic ansatz-constructing techniques has ushered in a new era, making the practical exploitation of Noisy Intermediate-Scale Quantum (NISQ) hardware for molecular simulations increasingly viable. However, such ansatz construction protocols incur substantial measurement costs during their execution. This work involves the development of a novel protocol that capitalizes on regenerative machine learning methodologies and many-body perturbation theoretical measures to construct a highly expressive and shallow ansatz within the variational quantum eigensolver (VQE) framework with limited measurement costs. The regenerative machine learning model used in our work is trained with the basis vectors of a low-rank expansion of the N-electron Hilbert space to identify the dominant high-rank excited determinants without requiring a large number of quantum measurements. These selected excited determinants are iteratively incorporated within the ansatz through their low-rank decomposition. The reduction in the number of quantum measurements and ansatz depth manifests in the robustness of our method towards hardware noise, as demonstrated through numerical applications. Furthermore, the proposed method is highly compatible with state-of-the-art neural error mitigation techniques. This resource-efficient approach is quintessential for determining spectroscopic and other molecular properties, thereby facilitating the study of emerging chemical phenomena in the near-term quantum computing framework.