arXiv:2412.09726cs.LGcs.AI2024-12被引 38

发现扩散模型的得分函数可被高斯近似,从而加速采样过程。

The Unreasonable Effectiveness of Gaussian Score Approximation for Diffusion Models and its Applications

  • 用高斯近似替代神经网络学习的得分函数,简化采样计算。
  • 跳过前15-30%采样步骤仍保持高质量生成,CIFAR-10上FID达1.93。
  • 适用于多种现有采样器,可提升训练与推理效率,适合追求速度的研究者。

通过学习平滑数据分布的梯度,扩散模型可迭代生成复杂分布的样本。其学习到的得分函数赋予了模型泛化能力,但该得分与底层数据流形真实得分之间的关系尚不明确。本文通过对比神经得分与两类解析可处理分布(高斯与高斯混合)的得分,揭示其内在联系。高斯模型结构简单,具有闭式解,能准确预测采样动态的定性特征。我们发现,在中高噪声尺度下,神经得分主要由其线性(高斯)近似主导,并从理论和实证两方面支持这一观点。此外,高斯近似在更广的噪声范围内有效,且在训练初期优先被学习。在低噪声尺度下,得分更接近训练数据的粗粒度(高斯混合)近似,而非真实得分,这与泛化现象一致。由此可精确预测采样轨迹初始阶段,从而跳过前15%-30%采样步骤,仍保持高样本质量(在无条件生成上,CIFAR-10的FID接近顶尖水平,为1.93)。基于此,提出新型混合采样方法‘解析跃迁’,可无缝集成至DPM-Solver-v3与UniPC等现有采样器,显著加速采样过程。研究结果为改进扩散模型的设计与训练提供了新思路。

原文摘要 · Abstract (English)

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.

扩散模型采样加速得分近似高斯混合

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