提出新型路径空间距离,实现生成模型鲁棒性与结构保持的严格理论保证。
Robustness and Structure Preservation in Flow-Based Generative Models via Wasserstein Path-Space Divergences
- 基于Wasserstein路径空间散度和伴随Feynman-Kac框架,建立动态系统稳定性分析新方法。
- 首次量化等变架构相对于数据增强的理论优势,证明非等变参数化误差无法通过更多数据消除。
- 适用于随机、确定性及退化扩散过程,涵盖有限样本和群体水平的生成模型泛化分析。
我们提出一种新型的Wasserstein-1($W_1$)路径空间散度,用于随机与确定性动力系统,并建立了Wasserstein不确定性传播(WUP)定理,该定理以加权$L^2$漂移差异和初始测度的$W_1$距离为界,控制终端分布间的$W_1$距离。核心是结合伴随Feynman-Kac表示与同步耦合(及有界域上的反射耦合)的概率框架,突破了现有基于偏微分方程和Girsanov变换的方法局限。该框架可处理时变与可能退化的扩散系数、经验与奇异测度,并在流匹配的确定性极限下依然成立。不同于基于KL散度的不确定性量化,其无需路径测度绝对连续性,在奇异情形下仍定义良好。作为推论,我们导出了评分生成模型与流匹配在总体和有限样本水平下的$W_1$鲁棒性与泛化界。进一步将框架应用于群对称目标,首次提供等变流生成模型的误差分析,并首次实现数据增强与等变归纳偏置的定量比较。我们识别出一种感知对称性的路径空间散度,量化了非等变参数化导致的模型形式误差。证明该误差无法通过增加数据或训练消除,仅在等变架构下消失,确立了等变归纳偏置的精确理论优势。在群对称高斯混合模型上的数值实验验证了理论结果。
原文摘要 · Abstract (English)
We introduce a novel Wasserstein-1 ($W_1$) path-space divergence for stochastic and deterministic dynamics and establish a Wasserstein Uncertainty Propagation (WUP) theorem that bounds the $W_1$ distance between terminal distributions by the proposed divergence, equivalently characterized by a weighted $L^2$ discrepancy between the underlying drifts and the $W_1$ distance between their initial measures. A key ingredient is a probabilistic framework combining adjoint Feynman-Kac representations with synchronous coupling (and reflection coupling on bounded domains), yielding Wasserstein stability estimates beyond existing PDE- and Girsanov-based approaches. The framework accommodates time-varying and possibly degenerate diffusion coefficients, empirical and singular measures, and remains valid in the deterministic limit of flow matching. Unlike KL-based uncertainty quantification bounds, it does not require absolute continuity of path measures and therefore remains well-defined in singular settings. As consequences of the WUP theorem, we derive $W_1$ robustness and generalization bounds for score-based generative models and flow matching at both population and finite-sample levels. We further specialize the framework to group-symmetric targets, providing the first error analysis of equivariant flow-based models and the first quantitative comparison between data augmentation and equivariant inductive bias. Our analysis identifies a symmetry-aware Wasserstein path-space divergence that quantifies the model-form error induced by non-equivariant parametrizations. We prove that this error cannot be removed by additional data or training and vanishes only under equivariant architectures, establishing a precise theoretical advantage of equivariant inductive bias over data augmentation. Numerical experiments on group-symmetric Gaussian mixtures corroborate the theory.
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