12 Supervised Learning Modern Statistics for Modern Biology

In a supervised learning setting, we have a yardstick or plumbline to judge how well we are doing: the response itself. A frequent question in biological and biomedical applications is whether a property of interest (say, disease type, cell type, the prognosis of a patient) can be "predicted", given one or more other properties, called the predictors. Often we are motivated by a situation in which the property to be predicted is unknown (it lies in the future, or is hard to measure), while the predictors are known. The crucial point is that we learn the prediction rule from a set of training data in which the property of interest is also known. Once we have the rule, we can either apply it to new data, and make actual predictions of unknown outcomes; or we can dissect the rule with the aim of better understanding the underlying biology. Compared to unsupervised learning and what we have seen in Chapters 5, 7 and 9, where we do not know what we are looking for or how to decide whether our result is "right", we are on much more solid ground with supervised learning: the objective is clearly stated, and there are straightforward criteria to measure how well we are doing. The central issues in supervised learning151151 Sometimes the term statistical learning is used, more or less exchangeably. Or did our rule indeed pick up some of the pertinent patterns in the system being studied, which will also apply to yet unseen new data? An example for overfitting: two regression lines are fit to data in the \((x, y)\)-plane (black points). We can think of such a line as a rule that predicts the \(y\)-value, given an \(x\)-value. Both lines are smooth, but the fits differ in what is called their bandwidth, which intuitively can be interpreted their stiffness. The blue line seems overly keen to follow minor wiggles in the data, while the orange line captures the general trend but is less detailed. The effective number of parameters needed to describe the blue line is much higher than for the orange line. Also, if we were to obtain additional data, it is likely that the blue line would do a worse job than the orange line in modeling the new data. We'll formalize these concepts –training error and test set error– later in this chapter. Although exemplified here with line fitting, the concept applies more generally to prediction models. See exemplary applications that motivate the use of supervised learning methods.