A novelty-based multi-objective evolutionary algorithm for identifying functional dependencies in complex technical infrastructures from alarm data

In this work, a Multi-Objective Evolutionary Algorithm (MOEA) is developed to identify Functional Dependencies (FDEPs) in Complex Technical Infrastructures (CTIs) from alarm data. The objectives of the search are the maximization of a measure of novelty, which drives the exploration of the solution space avoiding to get trapped in local optima, and of a measure of dependency among alarms, which drives the uncovering of functional dependencies. The main contribution of the work is the direct identification of patterns of dependent alarms; this avoids going through the preliminary step of mining association rules, as typically done by state-of-the-art methods which, however, fail to identify rare functional dependencies due to the need of setting a balanced minimum occurrence threshold. The proposed framework for FDEPs identification is applied to a synthetic alarm database generated by a simulated CTI model and to a real large-scale database of alarms collected at the CTI of CERN (European Organization for Nuclear Research). The obtained results show that the framework enables the thorough exploration of the solution space and captures also rare functional dependencies.

LEADD: Lamarckian evolutionary algorithm for de novo drug design

Given an objective function that predicts key properties of a molecule, goal-directed de novo molecular design is a useful tool to identify molecules that maximize or minimize said objective function. Nonetheless, a common drawback of these methods is that they tend to design synthetically unfeasible molecules. In this paper we describe a Lamarckian evolutionary algorithm for de novo drug design (LEADD). LEADD attempts to strike a balance between optimization power, synthetic accessibility of designed molecules and computational efficiency. To increase the likelihood of designing synthetically accessible molecules, LEADD represents molecules as graphs of molecular fragments, and limits the bonds that can be formed between them through knowledge-based pairwise atom type compatibility rules. A reference library of drug-like molecules is used to extract fragments, fragment preferences and compatibility rules. A novel set of genetic operators that enforce these rules in a computationally efficient manner is presented. To sample chemical space more efficiently we also explore a Lamarckian evolutionary mechanism that adapts the reproductive behavior of molecules. LEADD has been compared to both standard virtual screening and a comparable evolutionary algorithm using a standardized benchmark suite and was shown to be able to identify fitter molecules more efficiently. Moreover, the designed molecules are predicted to be easier to synthesize than those designed by other evolutionary algorithms. Graphical Abstract

Chaos Driven Evolutionary Algorithm: a Novel Approach for Optimization

This research deals with the initial investigations on the concept of a chaos-driven evolutionary algorithm Differential evolution. This paper is aimed at the embedding of simple two-dimensional chaotic system, which is Lozi map, in the form of chaos pseudo random number generator for Differential Evolution. The chaotic system of interest is the discrete dissipative system. Repeated simulations were performed on standard benchmark Schwefel’s test function in higher dimensions. Finally, the obtained results are compared with canonical Differential Evolution.

A Hybrid Shuffled Frog Leaping Algorithm and Its Performance Assessment in Multi-Dimensional Symmetric Function

Ensemble learning of swarm intelligence evolutionary algorithm of artificial neural network (ANN) is one of the core research directions in the field of artificial intelligence (AI). As a representative member of swarm intelligence evolutionary algorithm, shuffled frog leaping algorithm (SFLA) has the advantages of simple structure, easy implementation, short operation time, and strong global optimization ability. However, SFLA is susceptible to fall into local optimas in the face of complex and multi-dimensional symmetric function optimization, which leads to the decline of convergence accuracy. This paper proposes an improved shuffled frog leaping algorithm of threshold oscillation based on simulated annealing (SA-TO-SFLA). In this algorithm, the threshold oscillation strategy and simulated annealing strategy are introduced into the SFLA, which makes the local search behavior more diversified and the ability to escape from the local optimas stronger. By using multi-dimensional symmetric function such as drop-wave function, Schaffer function N.2, Rastrigin function, and Griewank function, two groups (i: SFLA, SA-SFLA, TO-SFLA, and SA-TO-SFLA; ii: SFLA, ISFLA, MSFLA, DSFLA, and SA-TO-SFLA) of comparative experiments are designed to analyze the convergence accuracy and convergence time. The results show that the threshold oscillation strategy has strong robustness. Moreover, compared with SFLA, the convergence accuracy of SA-TO-SFLA algorithm is significantly improved, and the median of convergence time is greatly reduced as a whole. The convergence accuracy of SFLA algorithm on these four test functions are 90%, 100%, 78%, and 92.5%, respectively, and the median of convergence time is 63.67 s, 59.71 s, 12.93 s, and 8.74 s, respectively; The convergence accuracy of SA-TO-SFLA algorithm on these four test functions is 99%, 100%, 100%, and 97.5%, respectively, and the median of convergence time is 48.64 s, 32.07 s, 24.06 s, and 3.04 s, respectively.