arXiv AI By Mengdi Liu, Chenghao Jia, Hong Chang, Shiguang Shan

Masked Diffusion Language Agents for Tool-Integrated Chemical Reasoning

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The paper introduces ChemDiffAgent, a masked diffusion language agent designed for tool‑integrated chemical reasoning. Unlike traditional autoregressive agents, it treats reasoning as iterative denoising over interleaved reasoning and tool‑use trajectories, allowing joint decision making under full‑trajectory context. A two‑stage post‑training framework further refines tool use and reasoning, and the authors benchmark the model on six chemistry tasks, reporting a ~20% performance gain over autoregressive baselines and competitive results against larger models.

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