Contribution to a conference proceedings

PUBDB-2024-07802

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Physics-Informed Bayesian Optimization of Variational Quantum Circuits

Nicoli, K. A. ; Anders, C. J. ; Funcke, L. ; Hartung, T. ; Jansen, K.DESY* ; Kühn, S. (Corresponding author)DESY* ; Müller, K.-R. ; Stornati, P. ; Kessel, P. ; Nakajima, S.

2024

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Please use a persistent id in citations: doi:10.3204/PUBDB-2024-07802

Report No.: arXiv:2406.06150

Abstract: In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to approximate the ground state of a quantum Hamiltonian. Specifically, we derive a VQE-kernel which incorporates important prior information about quantum circuits: the kernel feature map of the VQE-kernel exactly matches the known functional form of the VQE's objective function and thereby significantly reduces the posterior uncertainty. Moreover, we propose a novel acquisition function for Bayesian optimization called Expected Maximum Improvement over Confident Regions (EMICoRe) which can actively exploit the inductive bias of the VQE-kernel by treating regions with low predictive uncertainty as indirectly ``observed''. As a result, observations at as few as three points in the search domain are sufficient to determine the complete objective function along an entire one-dimensional subspace of the optimization landscape. Our numerical experiments demonstrate that our approach improves over state-of-the-art baselines.

Keyword(s): optimization: variational ; dimension: 1 ; quantum circuit: variational ; variational quantum eigensolver ; Bayesian ; Hamiltonian ; ground state ; hybrid ; landscape

Note: 36 pages, 17 figures, 37th Conference on Neural Information Processing Systems (NeurIPS 2023)

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Contributing Institute(s):

1. Centre f. Quantum Techno. a. Application (CQTA)

Research Program(s):

1. 611 - Fundamental Particles and Forces (POF4-611) (POF4-611)
2. QUEST - QUantum computing for Excellence in Science and Technology (101087126) (101087126)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2024

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