Demystifying MaskGIT Sampler and Beyond: Adaptive Order Selection in Masked Diffusion

Masked diffusion models have shown promising performance in generating high-quality samples in a wide range of domains, but accelerating their sampling process remains relatively underexplored. To investigate efficient samplers for masked diffusion, this paper theoretically analyzes the MaskGIT sampler for image modeling, revealing its implicit temperature sampling mechanism. Through this analysis, we show that MaskGIT is asymptotically equivalent to a choose-then-sample (CTS) formulation, instantiated as the "moment sampler," which explicitly separates index selection from token sampling. This CTS reformulation is essential: it yields unbiased token sampling and exposes an algorithmic design space for index selection, both of which are inaccessible in MaskGIT's original formulation. Regarding token sampling, we reveal that MaskGIT implicitly adopts a low-temperature sampler, which explains why MaskGIT often degrades with more sampling steps. The CTS reformulation of MaskGIT allows us to fix the temperature sampling to ensure unbiasedness. We also improve the index selection in CTS through two key innovations: a partial caching technique for transformers that approximates longer sampling trajectories without proportional computational cost, and a hybrid approach formalizing the exploration-exploitation trade-off in adaptive unmasking. Experiments in image and text domains demonstrate our theory as well as the efficiency of our proposed methods, advancing both theoretical understanding and practical implementation of masked diffusion samplers.