arXiv:2602.07548cond-mat.stat-mechcs.LG2026-02

用流形感知生成模型精准捕捉二维XY模型相变与热力学性质。

Capturing the Topological Phase Transition and Thermodynamics of the 2D XY Model via Manifold-Aware Score-Based Generative Modeling

  • 基于流形感知的得分生成模型,解决连续自旋系统在欧氏空间训练的偏差问题。
  • 在64×64二维XY模型上精确复现玻尔兹曼得分,成功捕捉BKT相变和比热等物理量。
  • 无需特征工程即可零样本推广至不同晶格尺寸,适用于其他连续自旋系统。

生成建模在多体物理中的应用为分析自旋系统的高维状态空间提供了新路径。然而,与计算机视觉中仅需视觉保真度不同,物理系统要求严格再现高阶统计矩和热力学量。尽管得分生成模型(SGMs)已展现出强大能力,其在欧氏嵌入空间的标准形式并不适合连续自旋系统,因变量本质位于流形上。本文表明,在欧氏空间训练会因优先学习流形约束而损害对目标分布的学习。为此,我们提出流形感知得分生成建模框架,应用于64×64二维XY模型(4096维环面)。结果表明,该方法比标准扩散模型更精确估计理论玻尔兹曼得分。由此成功捕捉贝雷津-科斯特里茨-索利斯(BKT)相变,并准确重现无显式特征工程的二阶矩量,如比热。此外,展示对未见晶格尺寸的零样本泛化,无需重训练即可恢复不同尺度下的物理特性。由于规避了领域特定特征工程,该方法天然可推广至其他连续自旋系统。

原文摘要 · Abstract (English)

The application of generative modeling to many-body physics offers a promising pathway for analyzing high-dimensional state spaces of spin systems. However, unlike computer vision tasks where visual fidelity suffices, physical systems require the rigorous reproduction of higher-order statistical moments and thermodynamic quantities. While Score-Based Generative Models (SGMs) have emerged as a powerful tool, their standard formulation on Euclidean embedding space is ill-suited for continuous spin systems, where variables inherently reside on a manifold. In this work, we demonstrate that training on the Euclidean space compromises the model's ability to learn the target distribution as it prioritizes to learn the manifold constraints. We address this limitation by proposing the use of Manifold-Aware Score-Based Generative Modeling framework applied to the 64x64 2D XY model (a 4096-dimensional torus). We show that our method estimates the theoretical Boltzmann score with superior precision compared to standard diffusion models. Consequently, we successfully capture the Berezinskii-Kosterlitz Thouless (BKT) phase transition and accurately reproduce second-moment quantities, such as heat capacity without explicit feature engineering. Furthermore, we demonstrate zero-shot generalization to unseen lattice sizes, accurately recovering the physics of variable system scales without retraining. Since this approach bypasses domain-specific feature engineering, it remains intrinsically generalizable to other continuous spin systems.

生成模型相变检测热力学流形学习

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