Formalizing the Sampling Design Space of Diffusion-Based Generative Models via Adaptive Solvers and Wasserstein-Bounded Timesteps

Diffusion-based generative models have achieved remarkable performance across various domains, yet their practical deployment is often limited by high sampling costs. While prior work focuses on training objectives or individual solvers, the broader sampling design problem, specifically solver selection and scheduling, remains largely governed by static heuristics. We propose SDM, a principled, training-free sampling framework that adapts both the numerical solver and the timestep schedule to the intrinsic properties of the diffusion trajectory. By analyzing the PF-ODE dynamics, we show that velocity variation is small in high-noise stages and increases near the data manifold, identifying intervals where solver order is most consequential. In parallel, we introduce an offline-calibrated adaptive scheduling method that explicitly controls the local Wasserstein discretization error and projects the calibrated trajectory to a prescribed NFE budget. We further extend the formulation to a mixed-transition Wasserstein error bound, providing a unified error-propagation view of adaptive scheduling and solver selection within the overall SDM framework. Across standard benchmarks, with extensions to modern ODE samplers, high-resolution synthesis, and text-to-image generation, SDM achieves improved sample quality compared to baseline methods, attaining an FID of 1.93 on CIFAR-10, 2.41 on FFHQ, and 1.98 on AFHQv2, with a reduced number of function evaluations compared to existing samplers. Our code is available at https://github.com/aiimaginglab/sdm.