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cond-mat.mtrl-sci2024★ 2 cited
Out-of-distribution materials property prediction using adversarial learning based fine-tuning
Qinyang Li, Nicholas Miklaucic, Jianjun Hu
The accurate prediction of material properties is crucial in a wide range of scientific and engineering disciplines. Machine learning (ML) has advanced the state of the art in this…
cond-mat.mtrl-sci2024
Physical Encoding Improves OOD Performance in Deep Learning Materials Property Prediction
Nihang Fu, Sadman Sadeed Omee, Jianjun Hu
Deep learning (DL) models have been widely used in materials property prediction with great success, especially for properties with large datasets. However, the out-of-distribution…