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cond-mat.mtrl-sci2025★ 1 cited
Lessons from the trenches on evaluating machine-learning systems in materials science
Nawaf Alampara, Mara Schilling-Wilhelmi, Kevin Maik Jablonka
Measurements are fundamental to knowledge creation in science, enabling consistent sharing of findings and serving as the foundation for scientific discovery. As machine learning s…
cond-mat.mtrl-sci2024★ 13 cited
Less can be more for predicting properties with large language models
Nawaf Alampara, Santiago Miret, Kevin Maik Jablonka
Predicting properties from coordinate-category data -- sets of vectors paired with categorical information -- is fundamental to computational science. In materials science, this ch…