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Lyapunov Control-Inspired Quantum Algorithms for Ground State Preparation.

James Larsen, Matthew Grace, Andrew Baczewski, Alicia B Magann

Published Oct 1, 2022• 0 citations
Publisher
DOI
10.2172/2005650

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Quantum computers have been widely speculated to offer significant advantages in obtaining the ground state of difficult Hamiltonian in chemistry and physics. In this work, we first propose a Lyapunov control-inspired strategy to accelerate the well-established imaginary-time method for ground-state preparation. We also dig for the source of acceleration of the imaginary-time process under Lyapunov control with theoretical understanding and dynamic process visualization. To make the method accessible in the noisy intermediate-scale quantum era, we further propose a variational form of the algorithm that could work with shallow quantum circuits. Through numerical experiments on a broad spectrum of realistic models, including molecular systems, 2D Heisenberg models, and Sherrington-Kirkpatrick models, we show that imaginary-time control may substantially accelerate the imaginary time evolution for all systems and even generate orders of magnitude acceleration (suggesting exponential-like acceleration) for challenging molecular Hamiltonians involving small energy gaps as impressive special cases. Finally, with a proper selection of the control Hamiltonian, the new variational quantum algorithm does not incur additional measurement costs compared to the original variational quantum imaginary-time algorithm.
Drawing inspiration from the Lyapunov control technique for quantum systems, feedback-based quantum al-gorithms have been proposed for calculating the ground states of Hamiltonians. In this work, we consider extending these algorithms to tackle calculating excited states. Inspired by the weighted subspace-search variational quantum eigensolver al-gorithm, we propose a novel weighted feedback-based quantum algorithm for excited state calculation. We show that depending on how we design the weights and the feedback law, we can prepare the pth excited state or lowest energy states up to the pth excited state. Through an application in quantum chemistry, we show the effectiveness of the proposed algorithm, evaluating its efficacy via numerical simulations.