Kinetic samplers for neural quantum states
| Autor: | Andrey A. Bagrov, Tom Westerhout, Askar A. Iliasov |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
AUTO REGRESSIVE MODELS
Theory of Condensed Matter LATTICE SYMMETRY FOS: Physical sciences METROPOLIS-HASTINGS SAMPLINGS 01 natural sciences QUANTUM STATE 010305 fluids & plasmas MANY BODY WAVE FUNCTIONS symbols.namesake Condensed Matter - Strongly Correlated Electrons Quantum state 0103 physical sciences IMPORTANCE SAMPLING Ergodic theory Statistical physics 010306 general physics Wave function PROJECTION ALGORITHMS KINETICS Mathematics Ansatz Strongly Correlated Electrons (cond-mat.str-el) Markov chain Hilbert space Sampling (statistics) MARKOV CHAINS Disordered Systems and Neural Networks (cond-mat.dis-nn) Computational Physics (physics.comp-ph) Condensed Matter - Disordered Systems and Neural Networks Condensed Matter Physics WAVE FUNCTIONS APPROXIMATION ALGORITHMS symbols Probability distribution SAMPLING PROTOCOL Den kondenserade materiens fysik Physics - Computational Physics ISOMETRIC EMBEDDINGS PROBABILITY DISTRIBUTIONS |
| Zdroj: | Physical Review B, 104, 10, pp. 1-10 Physical Review B, 104, 1-10 Phys. Rev. B Physical Review B |
| ISSN: | 2469-9950 |
| Popis: | Neural quantum states (NQS) are a novel class of variational many-body wave functions that are very flexible in approximating diverse quantum states. Optimization of an NQS ansatz requires sampling from the corresponding probability distribution defined by squared wave function amplitude. For this purpose we propose to use kinetic sampling protocols and demonstrate that in many important cases such methods lead to much smaller autocorrelation times than Metropolis-Hastings sampling algorithm while still allowing to easily implement lattice symmetries (unlike autoregressive models). We also use Uniform Manifold Approximation and Projection algorithm to construct two-dimensional isometric embedding of Markov chains and show that kinetic sampling helps attain a more homogeneous and ergodic coverage of the Hilbert space basis. v2: 8 pages, 11 figures, UMAP analysis of typical NQS added, revtex; comments are welcome! |
| Databáze: | OpenAIRE |
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