NetKet: A machine learning toolkit for many-body quantum systems
We introduce NetKet, a comprehensive open source framework for the study of many-body quantum systems using machine learning techniques. The framework is built around a general and flexible implementation of neural-network quantum states, which are used as a variational ansatz for quantum wavefuncti...
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| Published in | SoftwareX Vol. 10; p. 100311 |
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| Main Authors | , , , , , , , , , , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.07.2019
Elsevier |
| Subjects | |
| Online Access | Get full text |
| ISSN | 2352-7110 2352-7110 |
| DOI | 10.1016/j.softx.2019.100311 |
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| Abstract | We introduce NetKet, a comprehensive open source framework for the study of many-body quantum systems using machine learning techniques. The framework is built around a general and flexible implementation of neural-network quantum states, which are used as a variational ansatz for quantum wavefunctions. NetKet provides algorithms for several key tasks in quantum many-body physics and quantum technology, namely quantum state tomography, supervised learning from wavefunction data, and ground state searches for a wide range of customizable lattice models. Our aim is to provide a common platform for open research and to stimulate the collaborative development of computational methods at the interface of machine learning and many-body physics. |
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| AbstractList | We introduce NetKet, a comprehensive open source framework for the study of many-body quantum systems using machine learning techniques. The framework is built around a general and flexible implementation of neural-network quantum states, which are used as a variational ansatz for quantum wavefunctions. NetKet provides algorithms for several key tasks in quantum many-body physics and quantum technology, namely quantum state tomography, supervised learning from wavefunction data, and ground state searches for a wide range of customizable lattice models. Our aim is to provide a common platform for open research and to stimulate the collaborative development of computational methods at the interface of machine learning and many-body physics. We introduce NetKet, a comprehensive open source framework for the study of many-body quantum systems using machine learning techniques. The framework is built around a general and flexible implementation of neural-network quantum states, which are used as a variational ansatz for quantum wavefunctions. NetKet provides algorithms for several key tasks in quantum many-body physics and quantum technology, namely quantum state tomography, supervised learning from wavefunction data, and ground state searches for a wide range of customizable lattice models. Our aim is to provide a common platform for open research and to stimulate the collaborative development of computational methods at the interface of machine learning and many-body physics. Keywords: Neural-network quantum states, Variational Monte Carlo, Quantum state tomography, Machine learning, Supervised learning |
| ArticleNumber | 100311 |
| Author | van Nieuwenburg, Evert Carleo, Giuseppe Mazzola, Guglielmo Davis, Emily J. Lin, Sheng-Hsuan Hofmann, Damian Mauri, Marta Théveniaut, Hugo Torlai, Giacomo Westerhout, Tom Smith, James E.T. Glasser, Ivan Vicentini, Filippo Mendl, Christian B. Efthymiou, Stavros Wietek, Alexander Choo, Kenny Alet, Fabien O’Reilly, Ossian |
| Author_xml | – sequence: 1 givenname: Giuseppe surname: Carleo fullname: Carleo, Giuseppe email: gcarleo@flatironinstitute.org organization: Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, NY 10010, New York, USA – sequence: 2 givenname: Kenny surname: Choo fullname: Choo, Kenny organization: Department of Physics, University of Zurich, Winterthurerstrasse 190, 8057 Zürich, Switzerland – sequence: 3 givenname: Damian surname: Hofmann fullname: Hofmann, Damian organization: Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany – sequence: 4 givenname: James E.T. surname: Smith fullname: Smith, James E.T. organization: Department of Chemistry, University of Colorado Boulder, Boulder, CO 80302, USA – sequence: 5 givenname: Tom surname: Westerhout fullname: Westerhout, Tom organization: Institute for Molecules and Materials, Radboud University, NL-6525 AJ Nijmegen, The Netherlands – sequence: 6 givenname: Fabien surname: Alet fullname: Alet, Fabien organization: Laboratoire de Physique Théorique, IRSAMC, Université de Toulouse, CNRS, UPS, 31062 Toulouse, France – sequence: 7 givenname: Emily J. surname: Davis fullname: Davis, Emily J. organization: Department of Physics, Stanford University, Stanford, CA 94305, USA – sequence: 8 givenname: Stavros surname: Efthymiou fullname: Efthymiou, Stavros organization: Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Straße 1, 85748 Garching bei München, Germany – sequence: 9 givenname: Ivan surname: Glasser fullname: Glasser, Ivan organization: Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Straße 1, 85748 Garching bei München, Germany – sequence: 10 givenname: Sheng-Hsuan surname: Lin fullname: Lin, Sheng-Hsuan organization: Department of Physics, T42, Technische Universität München, James-Franck-Straße 1, 85748 Garching bei München, Germany – sequence: 11 givenname: Marta surname: Mauri fullname: Mauri, Marta organization: Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, NY 10010, New York, USA – sequence: 12 givenname: Guglielmo surname: Mazzola fullname: Mazzola, Guglielmo organization: Theoretische Physik, ETH Zürich, 8093 Zürich, Switzerland – sequence: 13 givenname: Christian B. surname: Mendl fullname: Mendl, Christian B. organization: Technische Universität Dresden, Institute of Scientific Computing, Zellescher Weg 12-14, 01069 Dresden, Germany – sequence: 14 givenname: Evert surname: van Nieuwenburg fullname: van Nieuwenburg, Evert organization: Institute for Quantum Information and Matter, California Institute of Technology, Pasadena, CA 91125, USA – sequence: 15 givenname: Ossian surname: O’Reilly fullname: O’Reilly, Ossian organization: Southern California Earthquake Center, University of Southern California, 3651 Trousdale Pkwy, Los Angeles, CA 90089, USA – sequence: 16 givenname: Hugo surname: Théveniaut fullname: Théveniaut, Hugo organization: Laboratoire de Physique Théorique, IRSAMC, Université de Toulouse, CNRS, UPS, 31062 Toulouse, France – sequence: 17 givenname: Giacomo surname: Torlai fullname: Torlai, Giacomo organization: Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, NY 10010, New York, USA – sequence: 18 givenname: Filippo surname: Vicentini fullname: Vicentini, Filippo organization: Université de Paris, Laboratoire Matériaux et Phénomènes Quantiques, CNRS, F-75013, Paris, France – sequence: 19 givenname: Alexander surname: Wietek fullname: Wietek, Alexander organization: Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, NY 10010, New York, USA |
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| Keywords | Neural-network quantum states Supervised learning Quantum state tomography Variational Monte Carlo Machine learning |
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| SubjectTerms | Condensed Matter Machine learning Neural-network quantum states Physics Quantum state tomography Supervised learning Variational Monte Carlo |
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| Title | NetKet: A machine learning toolkit for many-body quantum systems |
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