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https://doi.org/10.1103/physre...
Article . 2023 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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https://dx.doi.org/10.48550/ar...
Article . 2023
License: arXiv Non-Exclusive Distribution
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Fermionic adaptive sampling theory for variational quantum eigensolvers

Authors: Majland, Marco; Ettenhuber, Patrick; Zinner, Nikolaj Thomas;

Fermionic adaptive sampling theory for variational quantum eigensolvers

Abstract

Quantum chemistry has been identified as one of the most promising areas where quantum computing can have a tremendous impact. For current Noisy Intermediate-Scale Quantum (NISQ) devices, one of the best available methods to prepare approximate wave functions on quantum computers is the Adaptive Derivative-Assembled Pseudo-Trotter Ansatz Variational Quantum Eigensolver (ADAPT-VQE). However, ADAPT-VQE suffers from a significant measurement overhead when estimating the importance of operators in the wave function. In this work, we propose Fermionic Adaptive Sampling Theory VQE (FAST-VQE), a method for selecting operators based on importance metrics solely derived from the populations of Slater determinants in the wave function. Thus, our method mitigates measurement overheads for ADAPT-VQE as it is only dependent on the populations of Slater determinants which can simply be determined by measurements in the computational basis. We introduce two heuristic importance metrics, one based on Selected Configuration Interaction with perturbation theory and one based on approximate gradients. In state vector and finite shot simulations, FAST-VQE using the heuristic metric based on approximate gradients converges at the same rate or faster than ADAPT-VQE and requires dramatically fewer shots.

Keywords

Quantum Physics, FOS: Physical sciences, Quantum Physics (quant-ph)

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
Average
Average
Green