扩散模型中预测目标的理解与学习
Understanding and Learning Prediction Targets in Diffusion Models
Qing Jin, Chaoyang Wang
AI 速读 基于摘要
该文提出广义预测形式 u=kx-(1-k)n 的理论框架,解释最优预测目标为何取决于数据几何,并提出从数据中学习参数 k 的 k-Diff 框架。
cs.LG · cs.CV
查看原文摘要
Recent advances in diffusion and flow matching models have highlighted a shift in the preferred prediction target -- moving from noise ($\varepsilon$) and velocity (v) to direct data (x) prediction -- particularly in high-dimensional settings. However, a formal explanation of why the optimal target depends on the specific properties of the data remains elusive. In this work, we provide a theoretical framework based on a generalized prediction formulation $u=kx-(1-k)n$, where $x$ represents clean data and $n$ denotes noise. This formulation accommodates arbitrary targets, of which $\varepsilon$-, v-, and x-prediction are special cases. We derive the analytical relationship between data's geometry and the optimal prediction target, offering a rigorous justification for why x-prediction becomes superior when the ambient dimension significantly exceeds the data's intrinsic dimension. Furthermore, our controlled analysis reveals how time conditioning and loss variations systematically modulate this optimal objective. While our theory identifies dimensionality as the governing factor for the optimal prediction target, the intrinsic dimension of manifold-bound data is typically intractable to estimate in practice. To bridge this gap, we propose k-Diff, a framework that employs a data-driven approach to learn the optimal prediction parameter k directly from data, bypassing the need for explicit dimension estimation. Extensive experiments in both latent-space and pixel-space image generation demonstrate that k-Diff consistently outperforms fixed-target baselines across varying architectures and data scales, providing a principled and automated approach to enhancing generative performance.