Situo Zhang

Situo Zhang, Yifan Zhang, Zichen Zhu et al.

Speculative decoding (SD) is a powerful technique for accelerating the inference process of large language models (LLMs) without sacrificing accuracy. Typically, SD employs a small draft model to generate a fixed number of draft tokens, which are then verified in parallel by the target model. However, our experiments reveal that the optimal draft length varies significantly across different decoding steps. This variation suggests that using a fixed draft length limits the potential for further improvements in decoding speed. To address this challenge, we propose Pacer, a novel approach that dynamically controls draft length using a lightweight, trainable pre-verification layer. This layer pre-verifies draft tokens blockwise before they are sent to the target model, allowing the draft model to stop token generation if the blockwise pre-verification fails. We implement Pacer on multiple SD model pairs and evaluate its performance across various benchmarks. Our results demonstrate that Pacer achieves up to 2.66x Speedup over autoregressive decoding and consistently outperforms standard speculative decoding. Furthermore, when integrated with Ouroboros, Pacer attains up to 3.09x Speedup.

Situo Zhang, Hanqi Li, Lu Chen et al.

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability. Traditional graph-based and sequence-to-sequence models often lack generalized chemical knowledge, leading to predictions that are neither consistently accurate nor easily explainable. To address these challenges, we introduce RetroDFM-R, a reasoning-based large language model (LLM) designed specifically for chemical retrosynthesis. Leveraging large-scale reinforcement learning guided by chemically verifiable rewards, RetroDFM-R significantly enhances prediction accuracy and explainability. Comprehensive evaluations demonstrate that RetroDFM-R significantly outperforms state-of-the-art methods, achieving a top-1 accuracy of 65.0% on the USPTO-50K benchmark. Double-blind human assessments further validate the chemical plausibility and practical utility of RetroDFM-R's predictions. RetroDFM-R also accurately predicts multistep retrosynthetic routes reported in the literature for both real-world drug molecules and perovskite materials. Crucially, the model's explicit reasoning process provides human-interpretable insights, thereby enhancing trust and practical value in real-world retrosynthesis applications.