arXiv:2410.05898stat.MLcs.LG2024-10ICLR被引 36

揭示生成扩散模型的潜在几何相变,解释为何不陷入流形过拟合。

Manifolds, Random Matrices and Spectral Gaps: The geometric phases of generative diffusion

  • 通过分数函数雅可比矩阵谱分析,识别数据流形的维度与结构
  • 发现生成过程存在三个阶段:平凡态、覆盖态、融合态,各阶段对应不同机制
  • 理论预测与训练网络谱特征吻合,为扩散模型稳健性提供几何解释

本文在流形假设下研究生成扩散模型的潜在几何结构。通过分析分数函数雅可比矩阵的特征值(及奇异值)谱,其不连续性(谱隙)揭示了不同子流形的存在及其维度。采用统计物理方法,在多种分布假设下推导出谱分布与谱隙公式,并与训练后网络估计的谱进行对比。分析揭示生成过程存在三种显著的定性相:平凡相;流形内部分布拟合的覆盖相;分数函数垂直于流形、所有样本投影至数据支撑集的融合相。这种时间尺度上的‘分工’机制,优雅解释了为何生成扩散模型不受流形过拟合影响——内部分布与流形几何在生成的不同时间点分别形成。

原文摘要 · Abstract (English)

In this paper, we investigate the latent geometry of generative diffusion models under the manifold hypothesis. For this purpose, we analyze the spectrum of eigenvalues (and singular values) of the Jacobian of the score function, whose discontinuities (gaps) reveal the presence and dimensionality of distinct sub-manifolds. Using a statistical physics approach, we derive the spectral distributions and formulas for the spectral gaps under several distributional assumptions, and we compare these theoretical predictions with the spectra estimated from trained networks. Our analysis reveals the existence of three distinct qualitative phases during the generative process: a trivial phase; a manifold coverage phase where the diffusion process fits the distribution internal to the manifold; a consolidation phase where the score becomes orthogonal to the manifold and all particles are projected on the support of the data. This `division of labor' between different timescales provides an elegant explanation of why generative diffusion models are not affected by the manifold overfitting phenomenon that plagues likelihood-based models, since the internal distribution and the manifold geometry are produced at different time points during generation.

生成模型扩散模型流形学习谱分析

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