Low-Confidence Remasking Traps Flexibility: Realizing Arbitrary-Order Potential for Diverse Rollouts in Diffusion LLMs

Abstract

Masked diffusion language models support arbitrary-order generation, suggesting a natural way to produce diverse outputs. However, recent work argues that this flexibility reduces diversity by delaying high-uncertainty tokens that can lead to different generation paths. We trace this diversity loss not to arbitrary-order generation itself, but largely to low-confidence remasking (LCR), a widely used decoding rule. At each step, LCR samples a token at every masked position but commits only the sampled token with the highest probability, filtering out the rest. We show that this mechanism can exponentially suppress lower-probability tokens as more positions compete, and observe the same suppression in LLaDA. In contrast, top-probability position selection (TPP), which has often been conflated with LCR under the shared label confidence-based decoding, avoids this diversity loss. TPP first selects the position whose most likely token has the highest probability, then samples directly from that position's distribution. Replacing LCR with TPP restores diversity and yields Pass@$k$ comparable to left-to-right decoding, suggesting that the reported diversity loss stems largely from LCR's filtering rather than from generating high-confidence positions first. To further exploit order flexibility, we introduce Entropy-Guided Initialization (EGI), which samples the first token at the highest-entropy position and then follows TPP. This simple modification further improves rollout diversity and solution coverage beyond left-to-right decoding, with gains extending to downstream policy optimization, highlighting the potential of arbitrary-order generation for diverse rollouts.