Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the triangular lattice

Variational Monte Carlo simulations have been crucial for understanding quantum many-body systems, especially when the Hamiltonian is frustrated and the ground-state wavefunction has a nontrivial sign structure. In this paper, we use recurrent neural network (RNN) wavefunction ans"atze to study the triangular-lattice antiferromagnetic Heisenberg model (TLAHM) for lattice sizes up to $30\ifmmode\times\else\texttimes\fi{}30$. In a recent study [M. S. Moss et al., Phys. Rev. B 112, 134450 (2025)], the authors demonstrated how RNN wavefunctions can be iteratively retrained in order to obtain variational results for multiple lattice sizes with a reasonable amount of compute. That study, which looked at the sign-free, square-lattice antiferromagnetic Heisenberg model, showed favorable scaling properties, allowing accurate finite-size extrapolations to the thermodynamic limit. In contrast, our present results illustrate in detail the relative difficulty in simulating the sign-problematic TLAHM. We find that the accuracy of our simulations can be significantly improved by transforming the Hamiltonian with a judicious choice of basis rotation. We also show that a similar benefit can be achieved by using variational neural annealing, an alternative optimization technique that minimizes a pseudo-free energy. Ultimately, we are able to obtain estimates of the ground-state properties of the TLAHM in the thermodynamic limit that are in close agreement with values in the literature, showing that RNN wavefunctions provide a powerful toolbox for performing finite-size scaling studies for frustrated quantum many-body systems.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-08-28
DOI
https://doi.org/10.1103/nh89-6jmf
Citations
1
Primary Topic
Quantum many-body systems
Type
article
Field-Weighted Citation Impact
1.25
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article

Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the triangular lattice

Roeland Wiersema, Juan Carrasquilla, M. Schuyler Moss, Mohamed Hibat-Allah et al.
1 citations
Physical review. B./Physical review. B
Quantum many-body systems
1.25
article

Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the triangular lattice

Roeland Wiersema, Juan Carrasquilla, M. Schuyler Moss, Mohamed Hibat-Allah, Roger G. Melko
article en
1 citations

Abstract

Variational Monte Carlo simulations have been crucial for understanding quantum many-body systems, especially when the Hamiltonian is frustrated and the ground-state wavefunction has a nontrivial sign structure. In this paper, we use recurrent neural network (RNN) wavefunction ans\"atze to study the triangular-lattice antiferromagnetic Heisenberg model (TLAHM) for lattice sizes up to $30\ifmmode\times\else\texttimes\fi{}30$. In a recent study [M. S. Moss et al., Phys. Rev. B 112, 134450 (2025)], the authors demonstrated how RNN wavefunctions can be iteratively retrained in order to obtain variational results for multiple lattice sizes with a reasonable amount of compute. That study, which looked at the sign-free, square-lattice antiferromagnetic Heisenberg model, showed favorable scaling properties, allowing accurate finite-size extrapolations to the thermodynamic limit. In contrast, our present results illustrate in detail the relative difficulty in simulating the sign-problematic TLAHM. We find that the accuracy of our simulations can be significantly improved by transforming the Hamiltonian with a judicious choice of basis rotation. We also show that a similar benefit can be achieved by using variational neural annealing, an alternative optimization technique that minimizes a pseudo-free energy. Ultimately, we are able to obtain estimates of the ground-state properties of the TLAHM in the thermodynamic limit that are in close agreement with values in the literature, showing that RNN wavefunctions provide a powerful toolbox for performing finite-size scaling studies for frustrated quantum many-body systems.

Physical review. B./Physical review. BVol. 112(13)
University of Waterloo (CA), Perimeter Institute (CA), ETH Zurich (CH), Instituto de Física Teórica (ES), Vector Institute (CA), Flatiron Health (United States) (US), Flatiron Institute (US)
Openalex Percentile: Top 16%
Quantum many-body systems
1.25
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