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Classification models

Although many of the regression modeling techniques can also be used for classification, the way we evaluate model performance is necessarily very different since metrics like RMSE and R2 are not appropriate in the context of classification. Therefore, I’m going to take an in-depth look at the different aspects of classification model predictions and how these relate to the question of interest. The two subsequent sections explore strategies for evaluating classification models using statistics and visualizations.

What does classification mean?

In machine learning and statistics, classification is the problem of identifying to which of a set of categories (sub-populations) a new observation belongs, on the basis of a training set of data containing observations (or instances) whose category membership is known. An example would be assigning a given email into “spam” or “non-spam” classes or assigning a diagnosis to a given patient as described by observed characteristics of the patient (gender, blood pressure, presence or absence of certain symptoms, etc.). Classification is an example of pattern recognition.

In the terminology of machine learning, classification is considered an instance of supervised learning, i.e. learning where a training set of correctly identified observations is available. The corresponding unsupervised procedure is known as clustering, and involves grouping data into categories based on some measure of inherent similarity or distance.

Often, the individual observations are analyzed into a set of quantifiable properties, known variously as explanatory variables or features. These properties may variously be categorical (e.g. “A”, “B”, “AB” or “O”, for blood type), ordinal (e.g. “large”, “medium” or “small”), integer-valued (e.g. the number of occurrences of a particular word in an email) or real-valued (e.g. a measurement of blood pressure). Other classifiers work by comparing observations to previous observations by means of a similarity or distance function.

An algorithm that implements classification, especially in a concrete implementation, is known as a classifier. The term “classifier” sometimes also refers to the mathematical function, implemented by a classification algorithm, that maps input data to a category.

Terminology across fields is quite varied. In statistics, where classification is often done with logistic regression or a similar procedure, the properties of observations are termed explanatory variables (or independent variables, regressors, etc.), and the categories to be predicted are known as outcomes, which are considered to be possible values of the dependent variable. In machine learning, the observations are often known as instances, the explanatory variables are termed features (grouped into a feature vector), and the possible categories to be predicted are classes. Other fields may use different terminology: e.g. in community ecology, the term “classification” normally refers to cluster analysis, i.e. a type of unsupervised learning, rather than the supervised learning described in this article.

How to determine class predictors?

Classification models usually generate two types of predictions. Like regression models, classification models produce a continuous valued prediction, which is usually in the form of a probability (i.e., the predicted values of class membership for any individual sample are between 0 and 1 and sum to 1). In addition to a continuous prediction, classification models generate a predicted class, which comes in the form of a discrete category. For most practical applications, a discrete category prediction is required in order to make a decision. Automated spam filtering, for example, requires a definitive judgement for each e-mail.

Although classification models produce both of these types of predictions, often the focus is on the discrete prediction rather than the continuous prediction. However, the probability estimates for each class can be very useful for gauging the model’s confidence about the predicted classification. Returning to the spam e-mail filter example, an e-mail message with a predicted probability of being spam of 0.51 would be classified the same as a message with a predicted probability of being spam of 0.99. While both messages would be treated the same by the filter, we would have more confidence that the second message was, in fact, truly spam. As a second example, consider building a model to classify molecules by their in-vivo safety status (i.e., non-toxic, weakly toxic, and strongly toxic; e.g., Piersma et al. 2004). A molecule with predicted probabilities in each respective toxicity category of 0.34, 0.33, and 0.33, would be classified the same as a molecule with respective predicted probabilities of 0.98, 0.01, and 0.01. However in this case, we are much more confident that the second molecule is non-toxic as compared to the first.

In some applications, the desired outcome is the predicted class probabilities which are then used as inputs for other calculations. Consider an insurance company that wants to uncover and prosecute fraudulent claims. Using historical claims data, a classification model could be built to predict the probability of claim fraud. This probability would then be combined with the company’s investigation costs and potential monetary loss to determine if pursuing the investigation is in the best financial interest of the insurance company. As another example of classification probabilities as inputs to a subsequent model, consider the customer lifetime value (CLV) calculation which is defined as the amount of profit associated with a customer over a period of time (Gupta et al. 2006). To estimate the CLV, several quantities are required, including the amount paid by a consumer over a given time frame, the cost of servicing the consumer, and the probability that the consumer will make a purchase in the time frame.

Do you need more information to evaluate a classification model? Do you need to compute it using based-on-R libraries or python libraries? Please, comment it.

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