Hydrogen bonds (H-bonds) play a key role in both the formation and stabilization of protein structures. They form and break while a protein deforms, for instance during the transition from a non-functional to a functional state. The intrinsic strength of an individual H-bond has been studied from an energetic viewpoint, but energy alone may not be a very good predictor.

Traditional decision tree algorithms are susceptible to bias when certain classes dominate the dataset and prone to overfitting, particularly if they are not pruned. Previous studies have shown that combining several models can mitigate these issues by improving predictive accuracy and robustness. In this study, we propose a novel approach to address these challenges by constructing multiple selective decision trees using the entirety of the input dataset and employing a majority voting scheme for output forecasting. Our method outperforms competing algorithms, including KNN, Decision Trees, Random Forest, Bagging, XGB, Gradient Boost, and ExtraTrees, achieving superior accuracy in five out of ten datasets. This practical exploration highlights the effectiveness of our approach in enhancing decision tree performance across diverse datasets.

We study problems of optimization of decision and inhibitory trees for decision tables with many-valued decisions. As cost functions, we consider depth, average depth, number of nodes, and number of terminal/nonterminal nodes in trees. Decision tables with many-valued decisions (multi-label decision tables) are often more accurate models for real-life data sets than usual decision tables with single-valued decisions. Inhibitory trees can sometimes capture more information from decision tables than decision trees. In this paper, we create dynamic programming algorithms for multi-stage optimization of trees relative to a sequence of cost functions. We apply these algorithms to prove the existence of totally optimal (simultaneously optimal relative to a number of cost functions) decision and inhibitory trees for some modified decision tables from the UCI Machine Learning Repository

This paper is devoted to the study of bi-criteria optimization problems for decision trees. We consider different cost functions such as depth, average depth, and number of nodes. We design algorithms that allow us to construct the set of Pareto optimal points (POPs) for a given decision table and the corresponding bi-criteria optimization problem. These algorithms are suitable for investigation of medium-sized decision tables. We discuss three examples of applications of the created tools: the study of relationships among depth, average depth and number of nodes for decision trees for corner point detection (such trees are used in computer vision for object tracking), study of systems of decision rules derived from decision trees, and comparison of different greedy algorithms for decision tree construction as single- and bi-criteria optimization algorithms