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cs.LG2026
UNATE: UNsupervised ATomic Embedding for crystal structures property prediction
Laura Solà-Garcia, Àlex Solé, Javier Ruiz-Hidalgo
Accurately predicting crystal properties is critical for accelerating materials discovery, but it is often limited by scarce labeled data and costly theoretical calculations. To al…
cs.LG2021★ 4 cited
Channel-Wise Early Stopping without a Validation Set via NNK Polytope Interpolation
David Bonet, Antonio Ortega, Javier Ruiz-Hidalgo +1
State-of-the-art neural network architectures continue to scale in size and deliver impressive generalization results, although this comes at the expense of limited interpretabilit…