6 Training and test sets
Rafael Irizarry
Ultimately, a machine learning algorithm is evaluated on how it performs in the real world with completely new datasets. However, when developing an algorithm, we usually have a dataset for which we know the outcomes, as we do with the heights: we know the sex of every student in our dataset. Therefore, to mimic the ultimate evaluation process, we typically split the data into two parts and act as if we don’t know the outcome for one of these. We stop pretending we don’t know the outcome to evaluate the algorithm, but only after we are done constructing it. We refer to the group for which we know the outcome, and use to develop the algorithm, as the training set. We refer to the group for which we pretend we don’t know the outcome as the test set.
A standard way of generating the training and test sets is by randomly splitting the data. We will now develop an algorithm using only the training set. Once we are done developing the algorithm, we will freeze it and evaluate it using the test set. The simplest way to evaluate the algorithm when the outcomes are categorical is by simply reporting the proportion of cases that were correctly predicted in the test set. This metric is usually referred to as overall accuracy.
It is important that we optimize the cutoff using only the training set: the test set is only for evaluation. Although for this simplistic example it is not much of a problem, later we will learn that evaluating an algorithm on the training set can lead to overfitting, which often results in dangerously over-optimistic assessments.
Here we examine the accuracy of 10 different cutoffs and pick the one yielding the best result. We make a plot showing the accuracy obtained on the training set for males and females:
We see that the maximum value is 0.85.