Variational benchmarks for quantum many-body problems

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...

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Veröffentlicht in:Science 2024-10, Vol.386 (6719), p.296-301
Hauptverfasser: 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
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Sprache:eng
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Zusammenfassung: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.
ISSN:0036-8075
1095-9203
1095-9203
DOI:10.1126/science.adg9774