Error-mitigated nonorthogonal quantum eigensolver via shadow tomography

We present a shadow-tomography-enhanced nonorthogonal quantum eigensolver (NOQE) for more efficient and accurate electronic structure calculations on near-term quantum devices. By integrating shadow tomography into the NOQE, the measurement cost scales linearly rather than quadratically with the number of reference states, while also reducing the required qubits and circuit depth by half. This approach enables extraction of all matrix elements via randomized measurements and classical postprocessing. We analyze its sample complexity and show that, for small systems, it remains constant in the high-precision regime, while for larger systems, it scales linearly with the system size. We further apply shadow-based error mitigation to suppress noise-induced bias without increasing quantum resources. Demonstrations on the hydrogen molecule in the strongly correlated regime achieve chemical accuracy under realistic noise, showing that our method is both resource-efficient and noise-resilient for practical quantum chemistry simulations in the near term.

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Publication Details

Journal
Physical Review Research
Published
2025-12-30
DOI
https://doi.org/10.1103/7c5b-3v56
Primary Topic
Ocular and Laser Science Research
Type
article
Field-Weighted Citation Impact
0.00

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article

Error-mitigated nonorthogonal quantum eigensolver via shadow tomography

Martin Head‐Gordon, K. Birgitta Whaley, Nikolay V. Tkachenko, Rebecca Tomann et al.
Physical Review Research
Ocular and Laser Science Research
article

Error-mitigated nonorthogonal quantum eigensolver via shadow tomography

Martin Head‐Gordon, K. Birgitta Whaley, Nikolay V. Tkachenko, Rebecca Tomann, Hang Ren, Yipei Zhang, Wendy M. Billings
article en

Abstract

We present a shadow-tomography-enhanced nonorthogonal quantum eigensolver (NOQE) for more efficient and accurate electronic structure calculations on near-term quantum devices. By integrating shadow tomography into the NOQE, the measurement cost scales linearly rather than quadratically with the number of reference states, while also reducing the required qubits and circuit depth by half. This approach enables extraction of all matrix elements via randomized measurements and classical postprocessing. We analyze its sample complexity and show that, for small systems, it remains constant in the high-precision regime, while for larger systems, it scales linearly with the system size. We further apply shadow-based error mitigation to suppress noise-induced bias without increasing quantum resources. Demonstrations on the hydrogen molecule in the strongly correlated regime achieve chemical accuracy under realistic noise, showing that our method is both resource-efficient and noise-resilient for practical quantum chemistry simulations in the near term.

Physical Review ResearchVol. 8(1)
Quantum (Australia) (AU), Centre for Quantum Computation and Communication Technology (AU), University of California, Berkeley (US)
National Science Foundation, U.S. Department of Energy, Office of Science
Openalex Percentile: Top 58%
Ocular and Laser Science Research
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Error-mitigated nonorthogonal quantum eigensolver via shadow tomography — Martin Head‐Gordon, K. Birgitta Whaley, et al. · Physical Review Research (2025) | TGRS Research Map | TGRS