Data Mining techniques often ask for the resolution of optimization problems. Supervised Classification, and, in particular, Support Vector Machines, can be seen as a paradigmatic instance. In this paper, some links between Mathematical Optimization methods and Supervised Classification are emphasized. It is shown that many different areas of Mathematical Optimization play a central role in off-the-shelf Supervised Classification methods. Moreover, Mathematical Optimization turns out to be extremely useful to address important issues in Classification, such as identifying relevant variables, improving the interpretability of classifiers or dealing with vagueness/noise in the data.
Classification and regression trees, as well as their variants, are off-the-shelf methods in Machine Learning. In this paper, we review recent contributions within the Continuous Optimization and the Mixed-Integer Linear Optimization paradigms to develop novel formulations in this research area. We compare those in terms of the nature of the decision variables and the constraints required, as well as the optimization algorithms proposed. We illustrate how these powerful formulations enhance the flexibility of tree models, being better suited to incorporate desirable properties such as cost-sensitivity, explainability, and fairness, and to deal with complex data, such as functional data.
Decision trees are popular Classification and Regression tools and, when small-sized, easy to interpret. Traditionally, a greedy approach has been used to build the trees, yielding a very fast training process; however, controlling sparsity (a proxy for interpretability) is challenging.In recent studies, optimal decision trees, where all decisions are optimized simultaneously, have shown a better learning performance, especially when oblique cuts are implemented. In this paper, we propose a continuous optimization approach to build sparse optimal classification trees, based on oblique cuts, with the aim of using fewer predictor variables in the cuts as well as along the whole tree. Both types of sparsity, namely local and global, are modeled by means of regularizations with polyhedral norms. The computational experience reported supports the usefulness of our methodology. In all our data sets, local and global sparsity can be improved without harming classification accuracy. Unlike greedy approaches, our ability to easily trade in some of our classification accuracy for a gain in global sparsity is shown.
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