English(EN) Coverage Before Control: Route-Instruction Grounding and Steering for Controllable Retrosynthesis

新的RIGS框架增强了可控化学逆合成

作者 PulseAugur 编辑部 · [1 个来源] · 2026-10-01 04:00

研究人员开发了一个名为路线指令对齐与引导（RIGS）的新框架，以改进化学领域的可控逆合成。这种两阶段方法首先训练一个语言投影器来理解基于指令的先驱集偏好，然后使用该投影器来指导生成模型。实验表明，RIGS可以根据特定指令有效地引导化学替代品的生成，并且性能随着模型尺寸的不同而扩展。 AI

影响增强了AI执行复杂、指令驱动的化学合成任务的能力。

排序理由该集群包含一篇详细介绍可控逆合成新框架的研究论文。[lever_c_demoted from research: ic=1 ai=1.0]

AI 生成摘要 · Google Gemini · 来自 1 个来源。我们如何撰写摘要 →

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arXiv cs.AI TIER_1 English(EN) · Xuemin Chen, Xiaozhuang Song, Xinjian Zhao, Yaoyao Xu, Tianshu Yu · 2026-10-01 04:00

覆盖先于控制：用于可控逆合成的路径指令对齐与引导

arXiv:2609.39955v1 Announce Type: new Abstract: Single-step retrosynthesis models are commonly evaluated by their ability to recover recorded reactions. In practice, chemists may need to choose among several precursor sets for the same product, for example to preserve a particula…