Overview Training and Tuning

We will train several regression models to predict the hydrogen bond energy and will also introduce concepts like cross-validation to optimize hyperparameter. The list below provides the information where a detailed explanation of these concepts can be found in subsequent sections:

1. Metrics to validate the model: linear regression

2. Cross-validation: linear regression

3. Optimization of hyperparameters by grid search: polynomial regression

4. Optimization of hyperparameters by randomized search: regularized linear models

5. Learning curve: polynomial regression

6. Identify important features: random forests