pDOS-augmented GNN node features reduce Tc and ε∞ prediction errors by 22.9% and 27.9% versus elemental baselines, matching roughly a 1.7–1.8× increase in training data.
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Machine Learning Materials Properties by Encoding Orbital-Projected Density of States
pDOS-augmented GNN node features reduce Tc and ε∞ prediction errors by 22.9% and 27.9% versus elemental baselines, matching roughly a 1.7–1.8× increase in training data.