H. L. Dao

H. L. Dao

In this work, we extend the class of previously introduced non-Euclidean neural quantum states (NQS) which consists only of Poincaré hyperbolic GRU, to new variants including Poincaré RNN as well as Lorentz RNN and Lorentz GRU. In addition to constructing and introducing the new non-Euclidean hyperbolic NQS ansatzes, we generalized the results of our earlier work regarding the definitive outperformances delivered by hyperbolic Poincaré GRU NQS ansatzes when benchmarked against their Euclidean counterparts in the Variational Monte Carlo (VMC) experiments involving the quantum many-body settings of the Heisenberg $J_1J_2$ and $J_1J_2J_3$ models, which exhibit hierarchical structures in the forms of the different degrees of nearest-neighbor interactions. Here, in particular, using larger systems consisting of 100 spins, we found that all four hyperbolic RNN/GRU NQS variants always outperformed their respective Euclidean counterparts. Specifically, for all $J_2$ and $(J_2,J_3)$ couplings considered, including $J_2=0.0$, Lorentz RNN NQS and Poincaré RNN NQS always outperformd Euclidean RNN NQS, while Lorentz/Poincaré GRU NQS always outperformed Euclidean GRU NQS, with a single exception when $J_2=0.0$ for Poincaré GRU NQS. Furthermore, among the four hyperbolic NQS ansatzes, depending on the specific $J_2$ or $(J_2, J_3)$ couplings, on four out of eight experiment settings, Lorentz GRU and Poincaré GRU took turns to be the top performing variant among all Euclidean and hyperbolic NQS ansatzes considered, while Lorentz RNN, with up to three times fewer parameters, was capable of not only surpassing the Euclidean GRU eight out of eight times but also outperforming both Lorentz GRU and Poincaré GRU four out of eight times, to emerge as the best overall hyperbolic NQS ansatz.

H. L. Dao

In this work, we introduce the first type of non-Euclidean neural quantum state (NQS) ansatz, in the form of the hyperbolic GRU (a variant of recurrent neural networks (RNNs)), to be used in the Variational Monte Carlo method of approximating the ground state energy for quantum many-body systems. In particular, we examine the performances of NQS ansatzes constructed from both conventional or Euclidean RNN/GRU and from hyperbolic GRU in the prototypical settings of the one- and two-dimensional transverse field Ising models (TFIM) and the one-dimensional Heisenberg $J_1J_2$ and $J_1J_2J_3$ systems. By virtue of the fact that, for all of the experiments performed in this work, hyperbolic GRU can yield performances comparable to or better than Euclidean RNNs, which have been extensively studied in these settings in the literature, our work is a proof-of-concept for the viability of hyperbolic GRU as the first type of non-Euclidean NQS ansatz for quantum many-body systems. Furthermore, in settings where the Hamiltonian displays a clear hierarchical interaction structure, such as the 1D Heisenberg $J_1J_2$ & $J_1J_2J_3$ systems with the 1st, 2nd and even 3rd nearest neighbor interactions, our results show that hyperbolic GRU definitively outperforms its Euclidean version in all instances. The fact that these results are reminiscent of the established ones from natural language processing where hyperbolic GRU almost always outperforms Euclidean RNNs when the training data exhibit a tree-like or hierarchical structure leads us to hypothesize that hyperbolic GRU NQS ansatz would likely outperform Euclidean RNN/GRU NQS ansatz in quantum spin systems that involve different degrees of nearest neighbor interactions. Finally, with this work, we hope to initiate future studies of other types of non-Euclidean NQS beyond hyperbolic GRU.