Autoregressive neural quantum states of Fermi Hubbard models

Neural quantum states (NQSs) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the Fermi-Hubbard and the (non-Hermitian) Hatano-Nelson-Hubbard models in one and two dimensions. In both cases, we observe that the convergence of the RNN ansatz is challenged when increasing the interaction strength. We present a physically motivated and easy-to-implement strategy for improving the optimization, namely, by ramping of the model parameters. Furthermore, we investigate the advantages and disadvantages of the autoregressive sampling property of both network architectures. For the Hatano-Nelson-Hubbard model, we identify convergence issues that stem from the autoregressive sampling scheme in combination with the non-Hermitian nature of the model. Our findings provide insights into the challenges of the NQS approach and make the first step towards exploring strongly correlated electrons using this ansatz.

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Publication Details

Journal
Physical Review Research
Published
2025-02-03
DOI
https://doi.org/10.1103/physrevresearch.7.013122
Citations
6
Primary Topic
Quantum many-body systems
Type
article
Field-Weighted Citation Impact
7.48

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article

Autoregressive neural quantum states of Fermi Hubbard models

Eduardo Ibarra-García-Padilla, Juan Carrasquilla, Ehsan Khatami, Annabelle Bohrdt et al.
6 citations
Physical Review Research
Quantum many-body systems
7.48
article

Autoregressive neural quantum states of Fermi Hubbard models

Eduardo Ibarra-García-Padilla, Juan Carrasquilla, Ehsan Khatami, Annabelle Bohrdt, Hannah Lange, Richard T. Scalettar, Roger G. Melko
article en
6 citations

Abstract

Neural quantum states (NQSs) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the Fermi-Hubbard and the (non-Hermitian) Hatano-Nelson-Hubbard models in one and two dimensions. In both cases, we observe that the convergence of the RNN ansatz is challenged when increasing the interaction strength. We present a physically motivated and easy-to-implement strategy for improving the optimization, namely, by ramping of the model parameters. Furthermore, we investigate the advantages and disadvantages of the autoregressive sampling property of both network architectures. For the Hatano-Nelson-Hubbard model, we identify convergence issues that stem from the autoregressive sampling scheme in combination with the non-Hermitian nature of the model. Our findings provide insights into the challenges of the NQS approach and make the first step towards exploring strongly correlated electrons using this ansatz.

Physical Review ResearchVol. 7(1)
University of Waterloo (CA), Perimeter Institute (CA), Board of the Swiss Federal Institutes of Technology (CH), ETH Zurich (CH), Max Planck Institute of Quantum Optics (DE), Munich Center for Quantum Science and Technology (DE), San Jose State University (US), University of Regensburg (DE), Ludwig-Maximilians-Universität München (DE), University of California, Davis (US)
National Science Foundation, U.S. Department of Energy, Deutsche Forschungsgemeinschaft, International Max Planck Research School for Quantum Science and Technology, Office of Science, Natural Sciences and Engineering Research Council of Canada
Partnerships for the goals
Openalex Percentile: Top 3%
Quantum many-body systems
7.48
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