arXiv:2506.11982quant-phcond-mat.stat-mech2025-06被引 4

用概率化变分自编码器解码量子数据,自动发现相变结构。

Interpretable representation learning of quantum data enabled by probabilistic variational autoencoders

  • 设计可还原量子态的解码器与适配概率特性的损失函数
  • 在自旋模型中识别出传统方法失效但新方法仍有效的相变区
  • 无需先验知识即可从实验数据中自动揭示量子相图

可解释机器学习正成为科学发现的关键工具。变分自编码器(VAEs)在无监督情况下提取输入数据隐含物理特征方面展现出潜力,但其生成有意义表示的能力依赖于对输入底层概率分布的准确逼近。处理量子数据时,需考虑其固有的随机性与复杂关联。现有方法常忽视量子数据的概率本质,限制了物理描述符的提取。本文证明,两个关键改进使VAE能学习到物理上可解释的潜在表征:能够忠实复现量子态的解码器,以及针对此任务设计的概率化损失。在基准量子自旋模型上,我们识别出标准方法失效而新方法仍保持意义的区域。应用于里德伯原子阵列的实验数据,该模型在无标签、无哈密顿量信息及无关序参数知识条件下,自主揭示相结构,凸显其作为无监督可解释工具研究量子系统的潜力。

原文摘要 · Abstract (English)

Interpretable machine learning is rapidly becoming a crucial tool for scientific discovery. Among existing approaches, variational autoencoders (VAEs) have shown promise in extracting the hidden physical features of some input data, with no supervision nor prior knowledge of the system at study. Yet, the ability of VAEs to create meaningful, interpretable representations relies on their accurate approximation of the underlying probability distribution of their input. When dealing with quantum data, VAEs must hence account for its intrinsic randomness and complex correlations. While VAEs have been previously applied to quantum data, they have often neglected its probabilistic nature, hindering the extraction of meaningful physical descriptors. Here, we demonstrate that two key modifications enable VAEs to learn physically meaningful latent representations: a decoder capable of faithfully reproduce quantum states and a probabilistic loss tailored to this task. Using benchmark quantum spin models, we identify regimes where standard methods fail while the representations learned by our approach remain meaningful and interpretable. Applied to experimental data from Rydberg atom arrays, the model autonomously uncovers the phase structure without access to prior labels, Hamiltonian details, or knowledge of relevant order parameters, highlighting its potential as an unsupervised and interpretable tool for the study of quantum systems.

量子机器学习变分自编码器可解释性相变探测

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