arXiv:2505.22083quant-phcond-mat.dis-nn2025-05被引 3

用双曲循环网络构建首个非欧量子态波函数,提升多体系统能级计算精度。

Hyperbolic recurrent neural network as the first type of non-Euclidean neural quantum state ansatz

  • 采用双曲GRU作为非欧神经量子态波函数,替代传统欧式循环网络。
  • 在1维/2维伊辛模型与海森堡模型中,双曲GRU性能优于或相当欧氏版本。
  • 对具有层级结构的自旋系统,双曲结构优势明显,适合研究复杂相互作用体系。

本文首次提出基于双曲门控循环单元(hyperbolic GRU)的非欧神经量子态(NQS)变分形式,用于变分蒙特卡洛方法估算多体量子系统的基态能量。在典型的1维与2维横场伊辛模型(TFIM)以及1维海森堡J₁J₂和J₁J₂J₃模型上,对比了传统欧式RNN/GRU与双曲GRU的表现。实验表明,在所有设置下,双曲GRU均达到或优于已广泛研究的欧式模型。尤其在具有明确层级相互作用结构的系统中(如含1、2、3阶近邻相互作用的海森堡模型),双曲GRU在几乎所有情况下显著优于其欧式对应物。该结果与自然语言处理中双曲模型在树状结构数据上的优势相似,提示双曲结构可能更适配具有多层次相互作用的量子自旋系统。本工作为后续探索其他非欧类NQS奠定基础。

原文摘要 · Abstract (English)

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 almost 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.

量子模拟神经量子态双曲网络多体系统

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。