NetKet 3: Machine Learning Toolbox for Many-Body Quantum Systems
NetKet 3: Machine Learning Toolbox for Many-Body Quantum Systems
We introduce version 3 of NetKet, the machine learning toolbox for many-body quantum physics. NetKet is built around neural quantum states and provides efficient algorithms for their evaluation and optimization. This new version is built on top of JAX, a differentiable programming and accelerated linear algebra framework for the Python programming language. The most significant new feature is the possibility to define arbitrary neural network ansätze in pure Python code using the concise notation of machine-learning frameworks, which allows for just-in-time compilation as well as the implicit generation of gradients thanks to automatic differentiation. NetKet 3 also comes with support for GPU and TPU accelerators, advanced support for discrete symmetry groups, chunking to scale up to thousands of degrees of freedom, drivers for quantum dynamics applications, and improved modularity, allowing users to use only parts of the toolbox as a foundation for their own code.
- Polish Academy of Sciences Poland
- Physics Department United States
- Chinese Academy of Sciences China (People's Republic of)
- Institute of Physics Russian Federation
- École Polytechnique Fédérale de Lausanne EPFL Switzerland
FOS: Computer and information sciences, Computer Science - Machine Learning, Artificial intelligence, Polymers and Plastics, Medicine (miscellaneous), Critical Care and Intensive Care Medicine, Biochemistry, Analytical Chemistry, Machine Learning (cs.LG), Colloid and Surface Chemistry, Endocrinology, Quantum Many-Body Systems and Entanglement Dynamics, Electrochemistry, Materials Chemistry, Quantum Physics, Nutrition and Dietetics, Python (programming language), Life Sciences, Surfaces and Interfaces, General Medicine, Computational Physics (physics.comp-ph), Atomic and Molecular Physics, and Optics, Programming language, Diabetes and Metabolism, General Energy, Notation, Physical Sciences, Toolbox, Physics - Computational Physics, Artificial neural network, 530 Physics, Materials Science, Many-Body Localization, FOS: Physical sciences, 10192 Physics Institute, Mathematical analysis, Theoretical computer science, Differentiable function, Biochemistry, Genetics and Molecular Biology, Internal Medicine, FOS: Mathematics, Physical and Theoretical Chemistry, Molecular Biology, Protein Structure Prediction and Analysis, Arithmetic, Accelerating Materials Innovation through Informatics, Automatic differentiation, Computer science, Anesthesiology and Pain Medicine, Physics and Astronomy, Computation, Computer Science - Mathematical Software, Quantum Physics (quant-ph), Mathematical Software (cs.MS), Mathematics
FOS: Computer and information sciences, Computer Science - Machine Learning, Artificial intelligence, Polymers and Plastics, Medicine (miscellaneous), Critical Care and Intensive Care Medicine, Biochemistry, Analytical Chemistry, Machine Learning (cs.LG), Colloid and Surface Chemistry, Endocrinology, Quantum Many-Body Systems and Entanglement Dynamics, Electrochemistry, Materials Chemistry, Quantum Physics, Nutrition and Dietetics, Python (programming language), Life Sciences, Surfaces and Interfaces, General Medicine, Computational Physics (physics.comp-ph), Atomic and Molecular Physics, and Optics, Programming language, Diabetes and Metabolism, General Energy, Notation, Physical Sciences, Toolbox, Physics - Computational Physics, Artificial neural network, 530 Physics, Materials Science, Many-Body Localization, FOS: Physical sciences, 10192 Physics Institute, Mathematical analysis, Theoretical computer science, Differentiable function, Biochemistry, Genetics and Molecular Biology, Internal Medicine, FOS: Mathematics, Physical and Theoretical Chemistry, Molecular Biology, Protein Structure Prediction and Analysis, Arithmetic, Accelerating Materials Innovation through Informatics, Automatic differentiation, Computer science, Anesthesiology and Pain Medicine, Physics and Astronomy, Computation, Computer Science - Mathematical Software, Quantum Physics (quant-ph), Mathematical Software (cs.MS), Mathematics
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