Temperature steerable flows and Boltzmann generators

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium. The equilibrium distribution is usually defined by an energy function and a thermodynamic state. Here, we pro...

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Veröffentlicht in:Physical review research 2022-10, Vol.4 (4), p.L042005, Article L042005
Hauptverfasser: Dibak, Manuel, Klein, Leon, Krämer, Andreas, Noé, Frank
Format: Artikel
Sprache:eng
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Zusammenfassung:Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium. The equilibrium distribution is usually defined by an energy function and a thermodynamic state. Here, we propose temperature steerable flows (TSFs) which are able to generate a family of probability densities parametrized by a choosable temperature parameter. TSFs can be embedded in generalized ensemble sampling frameworks to sample a physical system across multiple thermodynamic states.
ISSN:2643-1564
2643-1564
DOI:10.1103/PhysRevResearch.4.L042005