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. 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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Publication Details

Journal
Science
Published
2024-10-17
DOI
https://doi.org/10.1126/science.adg9774
Citations
54
Primary Topic
Quantum many-body systems
Type
article
Field-Weighted Citation Impact
17.55

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article

Variational benchmarks for quantum many-body problems

Giuseppe Carleo, M. Schmid, Sandro Sorella, Juan Carrasquilla et al.
54 citations
Science
Quantum many-body systems
17.55
article

Variational benchmarks for quantum many-body problems

Giuseppe Carleo, M. Schmid, Sandro Sorella, Juan Carrasquilla, Jannes Nys, Filippo Vicentini, Olivier Parcollet, Qi Yang, Guglielmo Mazzola, Luca F. Tocchio, Rico Pohle, Alexander Wietek, Andreas M. Läuchli, Masatoshi Imada, Yiqi Yang, Steven R. White, Francesco Ferrari, Mohamed Hibat-Allah, Nikita Astrakhantsev, Federico Becca, Riccardo Rossi, Yusuke Nomura, Antonio Mezzacapo, Imelda Romero, Javier Robledo Moreno, Titus Neupert, Andrew J. Millis, J. Maxwell Silvester, Dian Wu, Antoine Georges, Lei Wang, Shiwei Zhang, Xiaodong Cao
article en
54 citations

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.

ScienceVol. 386(6719)
Goethe University Frankfurt (DE), University of Geneva (CH), Centre National de la Recherche Scientifique (FR), Scuola Internazionale Superiore di Studi Avanzati (IT), University of Trieste (IT), École Polytechnique (FR), Waseda University (JP), University of Waterloo (CA), William & Mary (US), Politecnico di Torino (IT), Perimeter Institute (CA), Collège de France (FR), Tohoku University (JP), University of Zurich (CH), Keio University (JP), University of California, Irvine (US), Williams (United States) (US), Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR), Université Paris-Saclay (FR), Paul Scherrer Institute (CH), ETH Zurich (CH), Sorbonne Université (FR), Max Planck Institute for the Physics of Complex Systems (DE), IBM Research - Thomas J. Watson Research Center (US), Songshan Lake Materials Laboratory (CN), Vector Institute (CA), CEA Paris-Saclay (FR), Laboratoire Matériaux et Phénomènes Quantiques (FR), Toyota Physical and Chemical Research Institute (JP), Laboratoire de Physique Théorique de la Matière Condensée (FR), Flatiron Health (United States) (US), Institute of Physics (CN), Institut de Physique Théorique (FR), University of Chinese Academy of Sciences (CN), Toyota Central Research and Development Laboratories (Japan) (JP), Sophia University (JP), Flatiron Institute (US), École Polytechnique Fédérale de Lausanne (CH), The University of Tokyo (JP), Columbia University (US)
Simons Foundation, Flatiron Health
Affordable and clean energy
Openalex Percentile: Top 0%
Quantum many-body systems
17.55
DOIOpen Access PDFOpenAlex
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