Register Tokens for Bounded-State Reasoning in Diffusion Language Models

Reinforcement learning has proven effective for improving reasoning in large language models, but extending it to Masked Diffusion Language Models (MDLMs) remains challenging due to the intractability of the log-likelihood estimation. Existing approaches approximate this log-likelihood by modeling only the token predictions, ignoring the order in which positions are unmasked during generation. We observe that MDLM generation involves two decisions at each step: what tokens to place at each masked position and which positions to remask. We formalize this as a two-stage action MDP, showing that the policy gradient naturally decomposes into a token term and a masking term. Combining optimization of both terms leads to state-of-the-art outcomes on mathematical reasoning and coding benchmarks, with scores of 87.1% on GSM8K and 53.4% on MBPP.

Diffusion large language models (dLLMs) offer an efficient alternative to autoregressive models through parallel decoding, yet existing post-training methods largely rely on random masking strategies that overlook intrinsic token dependencies. In this work, we present an empirical analysis of attention in dLLMs and show that tokens attending more strongly to unmasked context exhibit greater generation stability and play a critical role in reasoning. Motivated by these findings, we propose AGDO, an attention-guided denoising and optimization framework that aligns both training and optimization with attention-derived dependencies. AGDO determines the denoising order based on attention structure and emphasizes attention-critical tokens during supervised fine-tuning and reinforcement learning. Experiments on mathematical and coding benchmarks demonstrate that AGDO consistently improves reasoning performance, outperforming state-of-the-art post-training methods for dLLMs.

Diffusion Large Language Models (dLLMs) have emerged as a promising alternative to auto-regressive (AR) models, offering greater expressive capacity and potential for parallel generation and faster inference. However, open-source dLLMs remain immature, lagging behind AR models in both efficiency and quality. We identify an underexplored property of dLLMs: token-wise redundancy in bi-directional self-attention. Self-attention activations are highly correlated across tokens, and temporal changes in query representations can predict redundancy in corresponding key, value, and output activations. We introduce DARE, with two complementary mechanisms: DARE-KV, which reuses cached key-value (KV) activations, and DARE-O, which reuses output activations to reduce redundant computation while preserving quality. DARE achieves up to 1.20x per-layer latency reduction and reuses up to 87% of attention activations, with negligible degradation on reasoning and code-generation benchmarks. DARE-KV and DARE-O incur average performance drops of only 2.0% and 1.2%, respectively. Combined with techniques such as prefix caching and Fast-dLLM, DARE provides additive gains without retraining. These results establish token-wise reuse as an effective strategy for improving the efficiency of diffusion-based LLMs while preserving generation fidelity. Code: https://github.com/enyac-group/DARE