CliffSplit exposes at least 15% higher errors in cliff-heavy regions of QM9 while CliffLoss narrows the cliff-to-smooth error gap by up to 30% and improves overall MAE by 9.7% across several molecular tasks and backbones.
Neural message passing for quantum chemistry
3 Pith papers cite this work. Polarity classification is still indexing.
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Pith papers citing it
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PolyLM fine-tunes a 9B-parameter LLM on 185k papers to predict polymer properties from text alone, achieving median R² of 0.74 on 68k held-out samples.
M2D distillation augments input graphs with model-derived features and structure, letting simple student GNNs match teacher performance while exposing mechanisms such as attention and fairness directly in the data.
citing papers explorer
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When Molecular Similarity Works: Property Cliffs Reveal Hidden Errors
CliffSplit exposes at least 15% higher errors in cliff-heavy regions of QM9 while CliffLoss narrows the cliff-to-smooth error gap by up to 30% and improves overall MAE by 9.7% across several molecular tasks and backbones.
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Can LLMs Predict Polymer Physics Just by Reading Synthesis and Processing Prose?
PolyLM fine-tunes a 9B-parameter LLM on 185k papers to predict polymer properties from text alone, achieving median R² of 0.74 on 68k held-out samples.
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From Model to Data (M2D): Shifting Complexity from GNNs to Graphs for Transparent Graph Learning
M2D distillation augments input graphs with model-derived features and structure, letting simple student GNNs match teacher performance while exposing mechanisms such as attention and fairness directly in the data.