Informatics and Applications
2023, Volume 17, Issue 2, pp 2-10
ON OPTIMIZATION PROBLEMS ARISING FROM THE APPLICATION OF TOPOLOGICAL DATA ANALYSIS TO THE SEARCH FOR FORECASTING ALGORITHMS WITH FIXED CORRECTORS
Abstract
Corrective operations (correctors) in multialgorithmic constructions of the algebraic approach can be based on known physical models and/or multilevel descriptions of physical objects. At the same time, within the framework of the topological approach to the analysis of poorly formalized problems, the search for algorithms included in the corrector can be considered as a combinatorial optimization problem or as a problem ofminimizing a certain loss function. The study of the neighborhoods of chains in the lattice of subsets of objects made it possible to obtain a number of rank optimization criteria that are promising for solving the problems of predicting numerical target variables. The formalism was tested on the problem of ligand-receptor interaction within the framework of the chemokine analysis of drug molecules (data from ProteomicsDB). The best results of predicting constants were observed when using the obtained rank criteria (correlation coefficient on a sliding control 0.86 ± 0.20 averaging over 300 biological activities).
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[+] About this article
Title
ON OPTIMIZATION PROBLEMS ARISING FROM THE APPLICATION OF TOPOLOGICAL DATA ANALYSIS TO THE SEARCH FOR FORECASTING ALGORITHMS WITH FIXED CORRECTORS
Journal
Informatics and Applications
2023, Volume 17, Issue 2, pp 2-10
Cover Date
2023-07-10
DOI
10.14357/19922264230201
Print ISSN
1992-2264
Publisher
Institute of Informatics Problems, Russian Academy of Sciences
Additional Links
Key words
topological data analysis; lattice theory; optimization problems; regression; chemoinformatics
Authors
I. Yu. Torshin 
Author Affiliations
Federal Research Center "Computer Science and Control" of the Russian Academy of Sciences, 44-2 Vavilov Str., Moscow 119333, Russian Federation
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