The Resolved Mutual Information Function as a Structural Fingerprint of Biomolecular Sequences for Interpretable Machine Learning Classifiers

Autor: Katrin Sophie Bohnsack, Marika Kaden, Julia Abel, Sascha Saralajew, Thomas Villmann
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Entropy, Vol 23, Iss 10, p 1357 (2021)
Druh dokumentu: article
ISSN: 1099-4300
DOI: 10.3390/e23101357
Popis: In the present article we propose the application of variants of the mutual information function as characteristic fingerprints of biomolecular sequences for classification analysis. In particular, we consider the resolved mutual information functions based on Shannon-, Rényi-, and Tsallis-entropy. In combination with interpretable machine learning classifier models based on generalized learning vector quantization, a powerful methodology for sequence classification is achieved which allows substantial knowledge extraction in addition to the high classification ability due to the model-inherent robustness. Any potential (slightly) inferior performance of the used classifier is compensated by the additional knowledge provided by interpretable models. This knowledge may assist the user in the analysis and understanding of the used data and considered task. After theoretical justification of the concepts, we demonstrate the approach for various example data sets covering different areas in biomolecular sequence analysis.
Databáze: Directory of Open Access Journals