AutoML automates model evaluation and selection by systematically testing algorithms, tuning hyperparameters, and choosing the best-performing model based on predefined metrics. It handles this through three core steps: generating candidate models, evaluating their performance, and optimizing the selection process. This approach reduces manual effort while ensuring models meet performance, efficiency, and complexity requirements.
For evaluation, AutoML typically uses cross-validation to assess model performance reliably. For example, a 5-fold cross-validation splits the training data into five subsets, training the model on four and validating on the fifth, repeating this across all subsets. Metrics like accuracy (classification) or mean squared error (regression) are calculated for each fold and averaged to determine overall performance. AutoML tests multiple algorithms—such as logistic regression, random forests, or gradient-boosted trees—against these metrics. Some frameworks also incorporate holdout validation sets to detect overfitting. For instance, AutoML might evaluate a decision tree’s performance on a validation set after training, comparing it to a neural network’s results to identify which generalizes better.
Model selection combines hyperparameter tuning and performance trade-offs. AutoML uses search strategies like grid search (exhaustively testing predefined hyperparameter combinations) or Bayesian optimization (predicting promising hyperparameters based on past results) to refine models. For example, a support vector machine (SVM) might be tuned by testing kernel types (linear vs. RBF) and regularization parameters. Multi-objective optimization balances factors like inference speed and accuracy—a lightweight model like logistic regression might be chosen over a slower but slightly more accurate neural network for real-time applications. Some AutoML tools also employ ensemble methods, combining top-performing models (e.g., stacking a random forest’s predictions with XGBoost’s) to boost final performance. The selected model is typically the one with the highest validation score, ensuring it generalizes well to unseen data.