arXiv:2510.05930cs.LGcs.AI2025-10被引 12

用几何感知噪声提升生成模型质量与泛化能力平衡

Carré du champ flow matching: better quality-generalisation tradeoff in generative models

  • 用局部数据流形结构设计非均匀各向异性噪声替代传统噪声
  • 在多类数据上均实现更优的质量-泛化权衡,尤其在数据稀疏时优势明显
  • 适用于科学计算等复杂场景,可无缝集成至现有生成模型流程

深度生成模型常面临质量与泛化之间的权衡:高样本质量可能伴随记忆训练数据而非泛化。本文提出几何感知的流匹配方法(Carré du champ flow matching, CDC-FM),通过引入基于数据几何的正则化噪声,改善该权衡。该方法将传统流匹配中的均匀各向同性噪声替换为随空间变化、各向异性的高斯噪声,其协方差矩阵捕捉潜在数据流形的局部几何特征。我们证明该几何噪声可从数据中最优估计且具备大规模可扩展性。在多种数据集(合成流形、点云、单细胞基因组学、动物运动捕捉和图像)及网络架构(MLPs、CNNs、Transformer)上的广泛实验表明,CDC-FM始终提供更优的质量-泛化性能。尤其在数据稀缺和采样高度不均的场景下,相比标准流匹配有显著提升,这类场景常见于科学领域的人工智能应用。本工作建立了研究数据几何、泛化与记忆之间关系的数学框架,并提供一个稳健可扩展的算法,可直接嵌入现有流匹配流水线。

原文摘要 · Abstract (English)

Deep generative models often face a fundamental tradeoff: high sample quality can come at the cost of memorisation, where the model reproduces training data rather than generalising across the underlying data geometry. We introduce Carré du champ flow matching (CDC-FM), a generalisation of flow matching (FM), that improves the quality-generalisation tradeoff by regularising the probability path with a geometry-aware noise. Our method replaces the homogeneous, isotropic noise in FM with a spatially varying, anisotropic Gaussian noise whose covariance captures the local geometry of the latent data manifold. We prove that this geometric noise can be optimally estimated from the data and is scalable to large data. Further, we provide an extensive experimental evaluation on diverse datasets (synthetic manifolds, point clouds, single-cell genomics, animal motion capture, and images) as well as various neural network architectures (MLPs, CNNs, and transformers). We demonstrate that CDC-FM consistently offers a better quality-generalisation tradeoff. We observe significant improvements over standard FM in data-scarce regimes and in highly non-uniformly sampled datasets, which are often encountered in AI for science applications. Our work provides a mathematical framework for studying the interplay between data geometry, generalisation and memorisation in generative models, as well as a robust and scalable algorithm that can be readily integrated into existing flow matching pipelines.

生成模型流匹配几何感知泛化能力

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