用机器学习发现自旋模型中隐藏的相变规律。
Unsupervised Discovery of Intermediate Phase Order in the Frustrated $J_1$-$J_2$ Heisenberg Model via Prometheus Framework
- 通过变分自编码器分析量子态,无监督识别相变特征。
- 在 $J_2/J_1 \= 0.5$-$0.6$ 区间捕捉到反铁磁到条纹序的过渡。
- 仅用约化密度矩阵就可实现大规模系统相位探测,适合复杂量子系统研究者。
自旋-1/2 的正方晶格 $J_1$-$J_2$ 海森堡模型在反铁磁与条纹序之间存在争议的中间相,已有理论提出泡状价键、手性及量子自旋液体等假设。本文采用 Prometheus 变分自编码器框架,结合多尺度方法系统探索该模型相图:对 $L=4$ 系统使用精确对角化与全波函数分析的量子感知 VAE;对更大系统($L=6,8$)引入基于约化密度矩阵(RDM)的方法,利用 DMRG 波函数突破全希尔伯特空间表示的指数瓶颈。通过密集参数扫描 $J_2/J_1 \in [0,1]$ 及潜空间分析,发现结构因子 $S(π,π)$ 与 $S(π,0)$ 为被 VAE 捕获的主要序参量,相关系数超过 $|r| > 0.97$。RDM-VAE 成功揭示 $J_2/J_1 \approx 0.5$--$0.6$ 处的反铁磁至条纹序转变,表明局部量子关联已蕴含足够信息用于无监督相位发现。本工作建立了一种适用于难以解析的纠缠量子系统的可扩展机器学习路径。
原文摘要 · Abstract (English)
The spin-$1/2$ $J_1$-$J_2$ Heisenberg model on the square lattice exhibits a debated intermediate phase between Néel antiferromagnetic and stripe ordered regimes, with competing theories proposing plaquette valence bond, nematic, and quantum spin liquid ground states. We apply the Prometheus variational autoencoder framework -- previously applied to classical (2D, 3D Ising) and quantum (disordered transverse field Ising) phase transitions -- to systematically explore the $J_1$-$J_2$ phase diagram using a multi-scale approach. For $L=4$, we employ exact diagonalization with full wavefunction analysis via quantum-aware VAE. For larger systems ($L=6, 8$), we introduce a reduced density matrix (RDM) based methodology using DMRG ground states, enabling scaling beyond the exponential barrier of full Hilbert space representation. Through dense parameter scans of $J_2/J_1 \in [0, 1]$ and comprehensive latent space analysis, we identify the structure factor $S(π,π)$ and $S(π,0)$ as the dominant order parameters discovered by the VAE, with correlations exceeding $|r| > 0.97$. The RDM-VAE approach successfully captures the Néel-to-stripe crossover near $J_2/J_1 \approx 0.5$--$0.6$, demonstrating that local quantum correlations encoded in reduced density matrices contain sufficient information for unsupervised phase discovery. This work establishes a scalable pathway for applying machine learning to frustrated quantum systems where full wavefunction access is computationally prohibitive.
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