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, Dian; Rossi, Riccardo; Vicentini, Filippo; Astrakhantsev, Nikita; Becca, Federico; Cao, Xiaodong; Carrasquilla, Juan; Ferrari, Francesco; Georges, Antoine; Hibat-Allah, Mohamed; Imada, Masatoshi; Läuchli, Andreas M.; Mazzola, Guglielmo; Mezzacapo, Antonio; Millis, Andrew; Robledo Moreno, Javier; Neupert, Titus; Nomura, Yusuke; Nys, Jannes; Parcollet, Olivier; Pohle, Rico; Romero, Imelda; Schmid, Michael; Silvester, J. Maxwell; Sorella, Sandro; Tocchio, Luca F.; Wang, Lei; White, Steven R.; Wietek, Alexander; Yang, Qi; Yang, Yiqi; Zhang, Shiwei; Carleo, Giuseppe. - In: SCIENCE. - ISSN 0036-8075. - STAMPA. - 386:6719(2024), pp. 296-301. [10.1126/science.adg9774]
Variational benchmarks for quantum many-body problems
Tocchio, Luca F.;
2024
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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https://hdl.handle.net/11583/2994200