Distillation, Self-Training, and the Fragility of Learned Chemical Reasoning

Key points

• We show that frontier supervision can serve as a one-time bootstrap for open models on forward reaction prediction.1
• Our models, Resonance, distill an open-weight teacher's reasoning traces and then learn from their own verified outputs, turning a small base model with near-zero accuracy into a capable reaction predictor, while a stronger student surpasses its teacher through distillation alone.1
• Accuracy, however, does not bring robust reasoning: the small student inherits its teacher's single-pass style, self-training mainly sharpens answers it could already reach, and it readily abandons correct answers under pushback, suggesting that chemical reasoning models should be evaluated on the robustness of their reasoning as well as on the accuracy of their answers.1

Sources (1)

• [1]Distillation, Self-Training, and the Fragility of Learned Chemical Reasoning
  arXiv (AI, ML, NLP, CV, robotics, multi-agent) · Oct 16, 08:19 PM

  Automating synthesis planning for small-molecule drug design requires chemical reasoners that are accurate as well as open to inspection and adaptation, yet frontier language models remain unreliable at predicting reaction outcomes and difficult to deploy, while small open-weight models lack the necessary domain reasoning.

  We show that frontier supervision can serve as a one-time bootstrap for open models on forward reaction prediction.

Extractive summary: sentences quoted from the sources.