Learning Transferable Reaction Mechanisms from Visual Chemical Knowledge

arXiv:2609.33608 · cs.CE, cs.AI · Submitted 2026-09-27 · Read on arXiv

cs.CE, cs.AI

Submitted: 2026-09-27

Updated: 2026-09-27

Terminology

• Benchmark — 32× in this paper · explained in 2 episodes
• Grounding — 28× in this paper · explained in 3 episodes
• Accuracy — 16× in this paper · explained in 1 episode
• Representation Learning — 10× in this paper · explained in 2 episodes
• Contrastive Learning — 9× in this paper · explained in 5 episodes
• Transferability — 8× in this paper · explained in 4 episodes
• Adaptation — 7× in this paper · explained in 1 episode
• Domain Adaptation — 7× in this paper · explained in 5 episodes
• Transformer — 6× in this paper · explained in 2 episodes
• Zero-Shot Transfer — 6× in this paper · explained in 4 episodes
• Distribution Shift — 5× in this paper · explained in 5 episodes
• Generalization — 5× in this paper · explained in 13 episodes
• Ablation — 4× in this paper · explained in 1 episode
• Generative AI — 4× in this paper · explained in 2 episodes
• Fine-Tuning — 3× in this paper · explained in 5 episodes
• Alignment — 2× in this paper · explained in 1 episode
• Cosine Similarity — 2× in this paper · explained in 3 episodes
• Organic Letters — 2× in this paper
• Adaptive Layout — 1× in this paper · explained in 1 episode
• Decode — 1× in this paper · explained in 2 episodes
• Flow Matching — 1× in this paper · explained in 8 episodes
• Generative Model — 1× in this paper · explained in 2 episodes
• Human-in-the-Loop — 1× in this paper · explained in 3 episodes
• Journal of Organic Chemistry — 1× in this paper
• Journal of the American Chemical Society — 1× in this paper
• Provenance — 1× in this paper · explained in 3 episodes
• Robustness — 1× in this paper · explained in 5 episodes
• alpha — 1× in this paper · explained in 1 episode

Sources

• Qwen2.5-VL Technical Report
• Learning Mechanistic Reasoning for Chemical Reactions with Large Language Models
• Qwen3 Technical Report
• ChemDFM-R: A Chemical Reasoning LLM Enhanced with Atomized Chemical Knowledge

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