Larger LLMs handle detailed crystal descriptions better than small ones, and mean negative log-likelihood of predicted numbers tracks prediction error after fine-tuning.
Materials property prediction with uncertainty quantification: A benchmark study,
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Scale-Dependent Input Representation and Confidence Estimation for LLMs in Materials Property Prediction
Larger LLMs handle detailed crystal descriptions better than small ones, and mean negative log-likelihood of predicted numbers tracks prediction error after fine-tuning.