Derivative-free hybrid methods in global optimization and their applications

In recent years large-scale global optimization (GO) problems have drawn considerable attention. These problems have many applications, in particular in data mining and biochemistry. Numerical methods for GO are often very time consuming and could not be applied for high-dimensional non-convex and / or non-smooth optimization problems. The thesis explores reasons why we need to develop and study new algorithms for solving large-scale GO problems .... The thesis presents several derivative-free hybrid methods for large scale GO problems. These methods do not guarantee the calculation of a global solution; however, results of numerical experiments presented in this thesis demonstrate that they, as a rule, calculate a solution which is a global one or close to it. Their applications to data mining problems and the protein folding problem are demonstrated.Doctor of Philosoph

X-Machines for Agent-Based Modeling

This book discusses various aspects of agent-based modeling and simulation using FLAME (Flexible Large-scale Agent-Based Modeling Environment) which is a popular agent-based modeling environment that enables automatic parallelization of models. Along with a focus on the software engineering principles in building agent-based models, the book comprehensively discusses how models can be written for various domains including biology, economics and social networks. The book also includes examples to guide readers on how to write their own models

Extensions of sampling-based approaches to path planning in complex cost spaces: applications to robotics and structural biology

Planifier le chemin d’un robot dans un environnement complexe est un problème crucial en robotique. Les méthodes de planification probabilistes peuvent résoudre des problèmes complexes aussi bien en robotique, qu’en animation graphique, ou en biologie structurale. En général, ces méthodes produisent un chemin évitant les collisions, sans considérer sa qualité. Récemment, de nouvelles approches ont été créées pour générer des chemins de bonne qualité : en robotique, cela peut être le chemin le plus court ou qui maximise la sécurité ; en biologie, il s’agit du mouvement minimisant la variation énergétique moléculaire. Dans cette thèse, nous proposons plusieurs extensions de ces méthodes, pour améliorer leurs performances et leur permettre de résoudre des problèmes toujours plus difficiles. Les applications que nous présentons viennent de la robotique (inspection industrielle et manipulation aérienne) et de la biologie structurale (mouvement moléculaire et conformations stables). ABSTRACT : Planning a path for a robot in a complex environment is a crucial issue in robotics. So-called probabilistic algorithms for path planning are very successful at solving difficult problems and are applied in various domains, such as aerospace, computer animation, and structural biology. However, these methods have traditionally focused on finding paths avoiding collisions, without considering the quality of these paths. In recent years, new approaches have been developed to generate high-quality paths: in robotics, this can mean finding paths maximizing safety or control; in biology, this means finding motions minimizing the energy variation of a molecule. In this thesis, we propose several extensions of these methods to improve their performance and allow them to solve ever more difficult problems. The applications we present stem from robotics (industrial inspection and aerial manipulation) and structural biology (simulation of molecular motions and exploration of energy landscapes)