Be aware of overfitting by hyperparameter optimization!
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DOI: 10.1186/s13321-024-00934-w
Abstract: Hyperparameter optimization is very frequently employed in machine learning. However, an optimization of a large space of parameters could result in overfitting of models. In recent studies on solubility prediction the authors collected seven thermodynamic… read more here.
Keywords: hyperparameter optimization; overfitting hyperparameter; transformer cnn; aware overfitting ... See more keywords