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    Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the square 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, 134450 – Published 28 October, 2025

    DOI: https://doi.org/10.1103/6ccd-wzhz

    Abstract

    Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a nontrivial sign structure. While many state-of-the-art variational energies have been reached with these methods for finite-size systems, little work has been done to use these results to extract information about the target state in the thermodynamic limit. In this work, we employ recurrent neural networks (RNNs) as a variational ansätze, and leverage their recurrent nature to simulate the ground states of progressively larger systems through iterative retraining. This transfer learning technique allows us to simulate spin-12 systems on lattices with more than 1,000 spins without beginning optimization from scratch for each system size, thus reducing the demands for computational resources. In this study, we focus on the square-lattice antiferromagnetic Heisenberg model, where it is possible to carefully benchmark our results. We show that we are able to systematically improve the accuracy of the results from our simulations by increasing the training time, and obtain results for finite-sized lattices that are in good agreement with the literature values. Furthermore, we use these results to extract accurate estimates of the ground-state properties in the thermodynamic limit. This work demonstrates that RNN wavefunctions are able to extract accurate information about quantum many-body systems in the thermodynamic limit.

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    See Also

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

    M. Schuyler Moss, Roeland Wiersema, Mohamed Hibat-Allah, Juan Carrasquilla, and Roger G. Melko
    Phys. Rev. B 112, 134449 (2025)

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