Similarity-Based Predictive Models: Sensitivity Analysis and a Biological Application with Multi-Attributes

Biology (Basel). 2023 Jul 4;12(7):959. doi: 10.3390/biology12070959.

Abstract

Predictive models based on empirical similarity are instrumental in biology and data science, where the premise is to measure the likeness of one observation with others in the same dataset. Biological datasets often encompass data that can be categorized. When using empirical similarity-based predictive models, two strategies for handling categorical covariates exist. The first strategy retains categorical covariates in their original form, applying distance measures and allocating weights to each covariate. In contrast, the second strategy creates binary variables, representing each variable level independently, and computes similarity measures solely through the Euclidean distance. This study performs a sensitivity analysis of these two strategies using computational simulations, and applies the results to a biological context. We use a linear regression model as a reference point, and consider two methods for estimating the model parameters, alongside exponential and fractional inverse similarity functions. The sensitivity is evaluated by determining the coefficient of variation of the parameter estimators across the three models as a measure of relative variability. Our results suggest that the first strategy excels over the second one in effectively dealing with categorical variables, and offers greater parsimony due to the use of fewer parameters.

Keywords: Monte Carlo simulation; biological data; coefficient of variation; data science; distance measures; estimation methods; predictive modeling; similarity functions.

Grants and funding

This research was partially supported by the National Council for Scientific and Technological Development (CNPq) through the grant 303192/2022-4 (R.O.) and 308980/2021-2 (L.C.R.); by the Comissão de Aperfeiçoamento de Pessoal do Nível Superior (CAPES), from the Brazilian government; by FONDECYT, grant number 1200525 (V.L.), from the National Agency for Research and Development (ANID) of the Chilean government under the Ministry of Science and Technology, Knowledge, and Innovation; and by Portuguese funds through the CMAT-Research Centre of Mathematics, University of Minho—within projects UIDB/00013/2020 and UIDP/00013/2020 (C.C. (Cecilia Castro)).