Calibrated simplex-mapping classification

PLoS One. 2023 Jan 17;18(1):e0279876. doi: 10.1371/journal.pone.0279876. eCollection 2023.

Abstract

We propose a novel methodology for general multi-class classification in arbitrary feature spaces, which results in a potentially well-calibrated classifier. Calibrated classifiers are important in many applications because, in addition to the prediction of mere class labels, they also yield a confidence level for each of their predictions. In essence, the training of our classifier proceeds in two steps. In a first step, the training data is represented in a latent space whose geometry is induced by a regular (n - 1)-dimensional simplex, n being the number of classes. We design this representation in such a way that it well reflects the feature space distances of the datapoints to their own- and foreign-class neighbors. In a second step, the latent space representation of the training data is extended to the whole feature space by fitting a regression model to the transformed data. With this latent-space representation, our calibrated classifier is readily defined. We rigorously establish its core theoretical properties and benchmark its prediction and calibration properties by means of various synthetic and real-world data sets from different application domains.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Calibration*
  • Datasets as Topic*

Grants and funding

This work was funded by the Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (Fraunhofer Society, Hansastraße 27c, 80686 München, Germany) via two of its institutes, namely the Fraunhofer Institute for Industrial Mathematics (Fraunhofer ITWM, Fraunhofer-Platz 1, 67663 Kaiserslautern, Germany) and Fraunhofer Center for Machine Learning. Additional funding was provided by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) within the Priority Programme “SPP 2331: Machine Learning in Chemical Engineering”. These funders provided support in the form of salaries for the authors, but did not have any additional role in the study design, data collection and analysis, decision to publish, or preparation of the manuscript.