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.; Lauchli, A. M.; Mazzola, G.; Mezzacapo, A.; Millis, A.; Moreno, J. R.; Neupert, T.; Nomura, Y.; Nys, J.; Parcollet, O.; Pohle, R.; Romero, I.; Schmid, M.; Silvester, J. M.; Sorella, S.; Tocchio, L. F.; Wang, L.; White, S. R.; Wietek, A.; Yang, Q.; Yang, Y.; Zhang, S.; Carleo, G.. - In: SCIENCE. - ISSN 0036-8075. - 386:6719(2024), pp. 296-301. [10.1126/science.adg9774]
Variational benchmarks for quantum many-body problems
Mazzola G.;Sorella S.;
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.| File | Dimensione | Formato | |
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