{"type":"rich","version":"1.0","provider_name":"Transistor","provider_url":"https://transistor.fm","author_name":"Daily Paper Cast","title":"Mol-R1: Towards Explicit Long-CoT Reasoning in Molecule Discovery","html":"","width":"100%","height":180,"duration":1386,"description":"\n 🤗 Upvotes: 29 | cs.CL\n\n Authors:\n Jiatong Li, Weida Wang, Qinggang Zhang, Junxian Li, Di Zhang, Changmeng Zheng, Shufei Zhang, Xiaoyong Wei, Qing Li\n\n Title:\n Mol-R1: Towards Explicit Long-CoT Reasoning in Molecule Discovery\n\n Arxiv:\n http://arxiv.org/abs/2508.08401v1\n\n Abstract:\n Large language models (LLMs), especially Explicit Long Chain-of-Thought (CoT) reasoning models like DeepSeek-R1 and QWQ, have demonstrated powerful reasoning capabilities, achieving impressive performance in commonsense reasoning and mathematical inference. Despite their effectiveness, Long-CoT reasoning models are often criticized for their limited ability and low efficiency in knowledge-intensive domains such as molecule discovery. Success in this field requires a precise understanding of domain knowledge, including molecular structures and chemical principles, which is challenging due to the inherent complexity of molecular data and the scarcity of high-quality expert annotations. To bridge this gap, we introduce Mol-R1, a novel framework designed to improve explainability and reasoning performance of R1-like Explicit Long-CoT reasoning LLMs in text-based molecule generation. Our approach begins with a high-quality reasoning dataset curated through Prior Regulation via In-context Distillation (PRID), a dedicated distillation strategy to effectively generate paired reasoning traces guided by prior regulations. Building upon this, we introduce MoIA, Molecular Iterative Adaptation, a sophisticated training strategy that iteratively combines Supervised Fine-tuning (SFT) with Reinforced Policy Optimization (RPO), tailored to boost the reasoning performance of R1-like reasoning models for molecule discovery. Finally, we examine the performance of Mol-R1 in the text-based molecule reasoning generation task, showing superior performance against existing baselines.\n ","thumbnail_url":"https://img.transistorcdn.com/8lOVNnuwhrA3rxrDMv7Osu4j_t1-jORooO6NfGcQhcw/rs:fill:0:0:1/w:400/h:400/q:60/mb:500000/aHR0cHM6Ly9pbWct/dXBsb2FkLXByb2R1/Y3Rpb24udHJhbnNp/c3Rvci5mbS81Zjg1/YzRhODczMDU4MmE4/OGMwN2FiNDlmYzI2/MDliMi5qcGVn.webp","thumbnail_width":300,"thumbnail_height":300}