MEIGO: an open-source software suite based on metaheuristics for global optimization in systems biology and bioinformatics

Abstract: Optimization is key to solve many problems in computational biology. Global optimization methods provide a robust methodology, and metaheuristics in particular have proven to be the most efficient methods for many applications. Despite their utility, there is limited availability of metaheuristic tools. We present MEIGO, an R and Matlab optimization toolbox (also available in Python via a wrapper of the R version), that implements metaheuristics capable of solving diverse problems arising in systems biology and bioinformatics: enhanced scatter search method (eSS) for continuous nonlinear programming (cNLP) and mixed-integer programming (MINLP) problems, and variable neighborhood search (VNS) for Integer Programming (IP) problems. Both methods can be run on a single-thread or in parallel using a cooperative strategy. The code is supplied under GPLv3 and is available at \url{http://www.iim.csic.es/~gingproc/meigo.html}. Documentation and examples are included. The R package has been submitted to Bioconductor. We evaluate MEIGO against optimization benchmarks, and illustrate its applicability to a series of case studies in bioinformatics and systems biology, outperforming other state-of-the-art methods. MEIGO provides a free, open-source platform for optimization, that can be applied to multiple domains of systems biology and bioinformatics. It includes efficient state of the art metaheuristics, and its open and modular structure allows the addition of further methods.