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

    M. Schuyler Moss1,2,*, Roeland Wiersema3, Mohamed Hibat-Allah4,5, Juan Carrasquilla6, and Roger G. Melko1,2

    • *Contact author: msmoss@uwaterloo.ca

    Phys. Rev. B 112, 134449 – Published 28 October, 2025

    DOI: https://doi.org/10.1103/nh89-6jmf

    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 ansätze to study the triangular-lattice antiferromagnetic Heisenberg model (TLAHM) for lattice sizes up to 30×30. 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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    See Also

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

    M. Schuyler Moss, Roeland Wiersema, Mohamed Hibat-Allah, Juan Carrasquilla, and Roger G. Melko
    Phys. Rev. B 112, 134450 (2025)

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