Gen Li

Yuchen Jiao, Yuxin Chen, Gen Li

Guided or controlled data generation with diffusion models\blfootnote{Partial preliminary results of this work appeared in International Conference on Machine Learning 2025 \citep{li2025provable}.} has become a cornerstone of modern generative modeling. Despite substantial advances in diffusion model theory, the theoretical understanding of guided diffusion samplers remains severely limited. We make progress by developing a unified algorithmic and theoretical framework that accommodates both diffusion guidance and reward-guided diffusion. Aimed at fine-tuning diffusion models to improve certain rewards, we propose injecting a reward guidance term -- constructed from the difference between the original and reward-reweighted scores -- into the backward diffusion process, and rigorously quantify the resulting reward improvement over the unguided counterpart. As a key application, our framework shows that classifier-free guidance (CFG) decreases the expected reciprocal of the classifier probability, providing the first theoretical characterization of the specific performance metric that CFG improves for general target distributions. When applied to reward-guided diffusion, our framework yields a new sampler that is easy-to-train and requires no full diffusion trajectories during training. Numerical experiments further corroborate our theoretical findings.

Gen Li, Yuchen Zhou, Yuting Wei et al.

In this paper, we explore provable acceleration of diffusion models without any additional retraining. Focusing on the task of approximating a target data distribution in $\mathbb{R}^d$ to within $\varepsilon$ total-variation distance, we propose a principled, training-free sampling algorithm that requires only the order of $$ d^{1+2/K} \varepsilon^{-1/K} $$ score function evaluations (up to log factor) in the presence of accurate scores, where $K>0$ is an arbitrary fixed integer. This result applies to a broad class of target data distributions, without the need for assumptions such as smoothness or log-concavity. Our theory is robust vis-a-vis inexact score estimation, degrading gracefully as the score estimation error increases -- without demanding higher-order smoothness on the score estimates as assumed in previous work. The proposed algorithm draws insight from high-order ODE solvers, leveraging high-order Lagrange interpolation and successive refinement to approximate the integral derived from the probability flow ODE. More broadly, our work develops a theoretical framework towards understanding the efficacy of high-order methods for accelerated sampling.