On the role of metaheuristic optimization in bioinformatics

Metaheuristic algorithms are employed to solve complex and large-scale optimization problems in many different fields, from transportation and smart cities to finance. This paper discusses how metaheuristic algorithms are being applied to solve different optimization problems in the area of bioinformatics. While the text provides references to many optimization problems in the area, it focuses on those that have attracted more interest from the optimization community. Among the problems analyzed, the paper discusses in more detail the molecular docking problem, the protein structure prediction, phylogenetic inference, and different string problems. In addition, references to other relevant optimization problems are also given, including those related to medical imaging or gene selection for classification. From the previous analysis, the paper generates insights on research opportunities for the Operations Research and Computer Science communities in the field of bioinformatics

Solving multiple sequence alignment problems by using a swarm intelligent optimization based approach

In this article, the alignment of multiple sequences is examined through swarm intelligence based an improved particle swarm optimization (PSO). A random heuristic technique for solving discrete optimization problems and realistic estimation was recently discovered in PSO. The PSO approach is a nature-inspired technique based on intelligence and swarm movement. Thus, each solution is encoded as “chromosomes” in the genetic algorithm (GA). Based on the optimization of the objective function, the fitness function is designed to maximize the suitable components of the sequence and reduce the unsuitable components of the sequence. The availability of a public benchmark data set such as the Bali base is seen as an assessment of the proposed system performance, with the potential for PSO to reveal problems in adapting to better performance. This proposed system is compared with few existing approaches such as deoxyribonucleic acid (DNA) or ribonucleic acid (RNA) alignment (DIALIGN), PILEUP8, hidden Markov model training (HMMT), rubber band technique-genetic algorithm (RBT-GA) and ML-PIMA. In many cases, the experimental results are well implemented in the proposed system compared to other existing approaches

A Review of the Family of Artificial Fish Swarm Algorithms: Recent Advances and Applications

The Artificial Fish Swarm Algorithm (AFSA) is inspired by the ecological behaviors of fish schooling in nature, viz., the preying, swarming, following and random behaviors. Owing to a number of salient properties, which include flexibility, fast convergence, and insensitivity to the initial parameter settings, the family of AFSA has emerged as an effective Swarm Intelligence (SI) methodology that has been widely applied to solve real-world optimization problems. Since its introduction in 2002, many improved and hybrid AFSA models have been developed to tackle continuous, binary, and combinatorial optimization problems. This paper aims to present a concise review of the family of AFSA, encompassing the original ASFA and its improvements, continuous, binary, discrete, and hybrid models, as well as the associated applications. A comprehensive survey on the AFSA from its introduction to 2012 can be found in [1]. As such, we focus on a total of {\color{blue}123} articles published in high-quality journals since 2013. We also discuss possible AFSA enhancements and highlight future research directions for the family of AFSA-based models.Comment: 37 pages, 3 figure

Evolutionary Computation and QSAR Research

[Abstract] The successful high throughput screening of molecule libraries for a specific biological property is one of the main improvements in drug discovery. The virtual molecular filtering and screening relies greatly on quantitative structure-activity relationship (QSAR) analysis, a mathematical model that correlates the activity of a molecule with molecular descriptors. QSAR models have the potential to reduce the costly failure of drug candidates in advanced (clinical) stages by filtering combinatorial libraries, eliminating candidates with a predicted toxic effect and poor pharmacokinetic profiles, and reducing the number of experiments. To obtain a predictive and reliable QSAR model, scientists use methods from various fields such as molecular modeling, pattern recognition, machine learning or artificial intelligence. QSAR modeling relies on three main steps: molecular structure codification into molecular descriptors, selection of relevant variables in the context of the analyzed activity, and search of the optimal mathematical model that correlates the molecular descriptors with a specific activity. Since a variety of techniques from statistics and artificial intelligence can aid variable selection and model building steps, this review focuses on the evolutionary computation methods supporting these tasks. Thus, this review explains the basic of the genetic algorithms and genetic programming as evolutionary computation approaches, the selection methods for high-dimensional data in QSAR, the methods to build QSAR models, the current evolutionary feature selection methods and applications in QSAR and the future trend on the joint or multi-task feature selection methods.Instituto de Salud Carlos III, PIO52048Instituto de Salud Carlos III, RD07/0067/0005Ministerio de Industria, Comercio y Turismo; TSI-020110-2009-53)Galicia. Consellería de Economía e Industria; 10SIN105004P

Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures

The protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. Different computational approaches have been developed by different researchers in order to foresee the threedimensional arrangement of atoms of proteins from their sequences. However, the computational complexity of this problem makes mandatory the search for new models, novel algorithmic strategies and hardware platforms that provide solutions in a reasonable time frame. We present in this revision work the past and last tendencies regarding protein folding simulations from both perspectives; hardware and software. Of particular interest to us are both the use of inexact solutions to this computationally hard problem as well as which hardware platforms have been used for running this kind of Soft Computing techniques.This work is jointly supported by the FundaciónSéneca (Agencia Regional de Ciencia y Tecnología, Región de Murcia) under grants 15290/PI/2010 and 18946/JLI/13, by the Spanish MEC and European Commission FEDER under grant with reference TEC2012-37945-C02-02 and TIN2012-31345, by the Nils Coordinated Mobility under grant 012-ABEL-CM-2014A, in part financed by the European Regional Development Fund (ERDF). We also thank NVIDIA for hardware donation within UCAM GPU educational and research centers.Ingeniería, Industria y Construcció

An Approach Based on Particle Swarm Optimization for Inspection of Spacecraft Hulls by a Swarm of Miniaturized Robots

The remoteness and hazards that are inherent to the operating environments of space infrastructures promote their need for automated robotic inspection. In particular, micrometeoroid and orbital debris impact and structural fatigue are common sources of damage to spacecraft hulls. Vibration sensing has been used to detect structural damage in spacecraft hulls as well as in structural health monitoring practices in industry by deploying static sensors. In this paper, we propose using a swarm of miniaturized vibration-sensing mobile robots realizing a network of mobile sensors. We present a distributed inspection algorithm based on the bio-inspired particle swarm optimization and evolutionary algorithm niching techniques to deliver the task of enumeration and localization of an a priori unknown number of vibration sources on a simplified 2.5D spacecraft surface. Our algorithm is deployed on a swarm of simulated cm-scale wheeled robots. These are guided in their inspection task by sensing vibrations arising from failure points on the surface which are detected by on-board accelerometers. We study three performance metrics: (1) proximity of the localized sources to the ground truth locations, (2) time to localize each source, and (3) time to finish the inspection task given a 75% inspection coverage threshold. We find that our swarm is able to successfully localize the present so

State of the Art in the Optimisation of Wind Turbine Performance Using CFD

Wind energy has received increasing attention in recent years due to its sustainability and geographically wide availability. The efficiency of wind energy utilisation highly depends on the performance of wind turbines, which convert the kinetic energy in wind into electrical energy. In order to optimise wind turbine performance and reduce the cost of next-generation wind turbines, it is crucial to have a view of the state of the art in the key aspects on the performance optimisation of wind turbines using Computational Fluid Dynamics (CFD), which has attracted enormous interest in the development of next-generation wind turbines in recent years. This paper presents a comprehensive review of the state-of-the-art progress on optimisation of wind turbine performance using CFD, reviewing the objective functions to judge the performance of wind turbine, CFD approaches applied in the simulation of wind turbines and optimisation algorithms for wind turbine performance. This paper has been written for both researchers new to this research area by summarising underlying theory whilst presenting a comprehensive review on the up-to-date studies, and experts in the field of study by collecting a comprehensive list of related references where the details of computational methods that have been employed lately can be obtained

Evolutionary Computation

This book presents several recent advances on Evolutionary Computation, specially evolution-based optimization methods and hybrid algorithms for several applications, from optimization and learning to pattern recognition and bioinformatics. This book also presents new algorithms based on several analogies and metafores, where one of them is based on philosophy, specifically on the philosophy of praxis and dialectics. In this book it is also presented interesting applications on bioinformatics, specially the use of particle swarms to discover gene expression patterns in DNA microarrays. Therefore, this book features representative work on the field of evolutionary computation and applied sciences. The intended audience is graduate, undergraduate, researchers, and anyone who wishes to become familiar with the latest research work on this field

Methodology for modified whale optimization algorithm for solving appliances scheduling problem

Whale Optimization Algorithm (WOA) is considered as one of the newest metaheuristic algorithms to be used for solving a type of NP-hard problems. WOA is known of having slow convergence and at the same time, the computation of the algorithm will also be increased exponentially with multiple objectives and huge request from n users. The current constraints surely limit for solving and optimizing the quality of Demand Side Management (DSM) case, such as the energy consumption of indoor comfort index parameters which consist of thermal comfort, air quality, humidity and vision comfort.To address these issues, this proposed work will firstly justify and validate the constraints related to the appliances scheduling problem, and later proposes a new model of the Cluster based Multi-Objective WOA with multiple restart strategy. In order to achieve the objectives, different initialization strategy and cluster-based approaches will be used for tuning the main parameter of WOA under different MapReduce application which helps to control exploration and exploitation, and the proposed model will be tested on a set of well-known test functions and finally, will be applied on a real case project i.e. appliances scheduling problem. It is anticipating that the approach can expedite the convergence of meta-heuristic technique with quality solution

Computational intelligence approaches to robotics, automation, and control [Volume guest editors]

No abstract available