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In this chapter, we examine our first supervised learning problem, focusing on how to construct prediction functions and assess their performance. Given data consisting of predictor–response pairs, we can learn the parameters of a prediction function by minimising a loss, such as the residual sum of squares, which measures the discrepancy between actual and predicted responses. Using more flexible families of prediction functions typically reduces loss on the training data, but excessive flexibility can lead to overfitting: fitting to noise rather than the systematic component of the relationship. Overfitting results in poor prediction performance on new, unseen data. To estimate how a prediction method will perform on unseen data, we use cross-validation. However, when we compare many prediction methods using cross-validation, the best-performing method often appears better than it truly is; its apparent performance is an unreliable guide to its future accuracy. Prior knowledge is crucial for selecting plausible prediction methods to compare. Finally, we can use bootstrapping to quantify uncertainty in prediction functions and their predictions.
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