English

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

Strongly Correlated Electrons 2025-10-14 v3 Disordered Systems and Neural Networks Quantum Physics

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 non-trivial sign structure. In this paper, we use recurrent neural network (RNN) wavefunction ans\"{a}tze to study the triangular-lattice antiferromagnetic Heisenberg model (TLAHM) for lattice sizes up to 30×3030\times30. In a recent study [M. S. Moss et al. arXiv:2502.17144], 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.

Keywords

Cite

@article{arxiv.2505.20406,
  title  = {Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the triangular lattice},
  author = {M. Schuyler Moss and Roeland Wiersema and Mohamed Hibat-Allah and Juan Carrasquilla and Roger G. Melko},
  journal= {arXiv preprint arXiv:2505.20406},
  year   = {2025}
}

Comments

24 pages, 16 figures, 6 tables