The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this work, we introduce a metric of variational accuracy, the V-score, obtained from the variational energy and its variance. We provide an extensive curated dataset of variational calculations of many-body quantum systems, identifying cases where state-of-the-art numerical approaches show limited accuracy and future algorithms or computational platforms, such as quantum computing, could provide improved accuracy. The V-score can be used as a metric to assess the progress of quantum variational methods toward a quantum advantage for ground-state problems, especially in regimes where classical verifiability is impossible.

Variational benchmarks for quantum many-body problems / Wu, D., Rossi, R., Vicentini, F., Astrakhantsev, N., Becca, F., Cao, X., Carrasquilla, J., Ferrari, F., Georges, A., Hibat-Allah, M., Imada, M., Läuchli, A.M., Mazzola, G., Mezzacapo, A., Millis, A., Robledo Moreno, J., Neupert, T., Nomura, Y., Nys, J., Parcollet, O., et al.. - In: SCIENCE. - ISSN 0036-8075. - 386/2024:6719(2024), pp. 296-301. [10.1126/science.adg9774]

Variational benchmarks for quantum many-body problems

Becca, Federico;
2024-01-01

Abstract

The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this work, we introduce a metric of variational accuracy, the V-score, obtained from the variational energy and its variance. We provide an extensive curated dataset of variational calculations of many-body quantum systems, identifying cases where state-of-the-art numerical approaches show limited accuracy and future algorithms or computational platforms, such as quantum computing, could provide improved accuracy. The V-score can be used as a metric to assess the progress of quantum variational methods toward a quantum advantage for ground-state problems, especially in regimes where classical verifiability is impossible.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/3099464
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