Scientific discovery as a combinatorial optimisation problem: How best to navigate the landscape of possible experiments?

A considerable number of areas of bioscience, including gene and drug discovery, metabolic engineering for the biotechnological improvement of organisms, and the processes of natural and directed evolution, are best viewed in terms of a ‘landscape’ representing a large search space of possible solutions or experiments populated by a considerably smaller number of actual solutions that then emerge. This is what makes these problems ‘hard’, but as such these are to be seen as combinatorial optimisation problems that are best attacked by heuristic methods known from that field. Such landscapes, which may also represent or include multiple objectives, are effectively modelled in silico, with modern active learning algorithms such as those based on Darwinian evolution providing guidance, using existing knowledge, as to what is the ‘best’ experiment to do next. An awareness, and the application, of these methods can thereby enhance the scientific discovery process considerably. This analysis fits comfortably with an emerging epistemology that sees scientific reasoning, the search for solutions, and scientific discovery as Bayesian processes

Parameter Optimization of Genetic Algorithm Utilizing Taguchi Design for Gliding Trajectory Optimization of Missile

The present study aims to establish a genetic algorithm (GA) method to optimize gliding trajectory of a missile. The trajectory is optimized by discretizing the angle of attack (AOA) and solving optimal control problem to achieve maximum gliding range. GA is employed to resolve the optimal control problem to achieve optimized AOA. A Taguchi’s design of experiments was proposed contrary to full factorial method to ascertain the GA parameters. The experiments have been designed as per Taguchi’s design of experiments using L27 orthogonal array. Systematic reasoning ability of Taguchi method is exploited to obtain better selection, crossover and mutation operations and consequently, enhance the performance of GA for gliding trajectory optimization. The effects of GA parameters on gliding trajectory optimization are studied and analysis of variance (ANOVA) is carried out to evaluate significance factors on the results. Crossover function and population size are observed as highly impacting parameter in missile trajectory optimization accompanied by selection method, crossover fraction, mutation rate and number of generations. Artificial neural network (ANN) method was also applied to predict the significance of GA parameters. The results show that the gliding range is maximized after GA parameter tuning. Simulation results also portrayed that with optimal AOA, gliding distance of missile is improved compared to earlier one. The numerical simulation shows the efficiency of proposed procedure via various test scenarios

Mechanism and Behaviour Co-optimisation of High Performance Mobile Robots

Mobile robots do not display the level of physical performance one would expect, given the specifications of their hardware. This research is based on the idea that their poor performance is at least partly due to their design, and proposes an optimisation approach for the design of high-performance mobile robots. The aim is to facilitate the design process, and produce versatile and robust robots that can exploit the maximum potential of today's technology. This can be achieved by a systematic optimisation study that is based on careful modelling of the robot's dynamics and its limitations, and takes into consideration the performance requirements that the robot is designed to meet. The approach is divided into two parts: (1) an optimisation framework, and (2) an optimisation methodology. In the framework, designs that can perform a large set of tasks are sought, by simultaneously optimising the design and the behaviours to perform them. The optimisation methodology consists of several stages, where various techniques are used for determining the design's most important parameters, and for maximising the chances of finding the best possible design based on the designer's evaluation criteria. The effectiveness of the optimisation approach is proved via a specific case-study of a high-performance balancing and hopping monopedal robot. The outcome is a robot design and a set of optimal behaviours that can meet several performance requirements of conflicting nature, by pushing the hardware to its limits in a safe way. The findings of this research demonstrate the importance of using realistic models, and taking into consideration the tasks that the robot is meant to perform in the design process

Considerations in designing a cybernetic simple 'learning' model; and an overview of the problem of modelling learning

This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University.Learning is viewed as a central feature of living systems and must be manifested in any artifact that claims to exhibit general intelligence. The central aims of the thesis are twofold: (1) - To review and critically assess the empirical and theoretical aspects of learning as have been addressed in a multitude of disciplines, with the aim of extracting fundamental features and elements. (2) - To develop a more systematic approach to the cybernetic modelling of learning than has been achieved hitherto. In pursuit of aim (1) above the following discussions are included: Historical and Philosophical backgrounds; Natural learning, both physiological and psychological aspects; Hierarchies of learning identified in the evolutionary, functional and developmental senses; An extensive section on the general problem of modelling of learning and the formal tools, is included as a link between aims (1) and (2). Following this a systematic and historically oriented study of cybernetic and other related approaches to the problem of modelling of learning is presented. This then leads to the development of a state-of-the-art general purpose experimental cybernetic learning model. The programming and use of this model is also fully described, including an elaborate scheme for the manifestation of simple learning

Multi-Fidelity Active Learning with GFlowNets

In the last decades, the capacity to generate large amounts of data in science and engineering applications has been growing steadily. Meanwhile, the progress in machine learning has turned it into a suitable tool to process and utilise the available data. Nonetheless, many relevant scientific and engineering problems present challenges where current machine learning methods cannot yet efficiently leverage the available data and resources. For example, in scientific discovery, we are often faced with the problem of exploring very large, high-dimensional spaces, where querying a high fidelity, black-box objective function is very expensive. Progress in machine learning methods that can efficiently tackle such problems would help accelerate currently crucial areas such as drug and materials discovery. In this paper, we propose the use of GFlowNets for multi-fidelity active learning, where multiple approximations of the black-box function are available at lower fidelity and cost. GFlowNets are recently proposed methods for amortised probabilistic inference that have proven efficient for exploring large, high-dimensional spaces and can hence be practical in the multi-fidelity setting too. Here, we describe our algorithm for multi-fidelity active learning with GFlowNets and evaluate its performance in both well-studied synthetic tasks and practically relevant applications of molecular discovery. Our results show that multi-fidelity active learning with GFlowNets can efficiently leverage the availability of multiple oracles with different costs and fidelities to accelerate scientific discovery and engineering design.Comment: Code: https://github.com/nikita-0209/mf-al-gf

Distributed Control for Collective Behaviour in Micro-unmanned Aerial Vehicles

Full version unavailable due to 3rd party copyright restrictions.The work presented herein focuses on the design of distributed autonomous controllers for collective behaviour of Micro-unmanned Aerial Vehicles (MAVs). Two alternative approaches to this topic are introduced: one based upon the Evolutionary Robotics (ER) paradigm, the other one upon flocking principles. Three computer simulators have been developed in order to carry out the required experiments, all of them having their focus on the modelling of fixed-wing aircraft flight dynamics. The employment of fixed-wing aircraft rather than the omni-directional robots typically employed in collective robotics significantly increases the complexity of the challenges that an autonomous controller has to face. This is mostly due to the strict motion constraints associated with fixed-wing platforms, that require a high degree of accuracy by the controller. Concerning the ER approach, the experimental setups elaborated have resulted in controllers that have been evolved in simulation with the following capabilities: (1) navigation across unknown environments, (2) obstacle avoidance, (3) tracking of a moving target, and (4) execution of cooperative and coordinated behaviours based on implicit communication strategies. The design methodology based upon flocking principles has involved tests on computer simulations and subsequent experimentation on real-world robotic platforms. A customised implementation of Reynolds’ flocking algorithm has been developed and successfully validated through flight tests performed with the swinglet MAV. It has been notably demonstrated how the Evolutionary Robotics approach could be successfully extended to the domain of fixed-wing aerial robotics, which has never received a great deal of attention in the past. The investigations performed have also shown that complex and real physics-based computer simulators are not a compulsory requirement when approaching the domain of aerial robotics, as long as proper autopilot systems (taking care of the ”reality gap” issue) are used on the real robots.EOARD (European Office of Aerospace Research & Development), euCognitio

Enhanced Bees Algorithm with fuzzy logic and Kalman filtering

The Bees Algorithm is a new population-based optimisation procedure which employs a combination of global exploratory and local exploitatory search. This thesis introduces an enhanced version of the Bees Algorithm which implements a fuzzy logic system for greedy selection of local search sites. The proposed fuzzy greedy selection system reduces the number of parameters needed to run the Bees Algorithm. The proposed algorithm has been applied to a number of benchmark function optimisation problems to demonstrate its robustness and self-organising ability. The Bees Algorithm in both its basic and enhanced forms has been used to optimise the parameters of a fuzzy logic controller. The purpose of the controller is to stabilise and balance an under-actuated two-link acrobatic robot (ACROBOT) in the upright position. Kalman filtering, as a fast convergence gradient-based optimisation method, is introduced as an alternative to random neighbourhood search to guide worker bees speedily towards the optima of local search sites. The proposed method has been used to tune membership functions for a fuzzy logic system. Finally, the fuzzy greedy selection system is enhanced by using multiple independent criteria to select local search sites. The enhanced fuzzy selection system has again been used with Kalman filtering to speed up the Bees Algorithm. The resulting algorithm has been applied to train a Radial Basis Function (RBF) neural network for wood defect identification. The results obtained show that the changes made to the Bees Algorithm in this research have significantly improved its performance. This is because these enhancements maintain the robust global search attribute of the Bees Algorithm and improve its local search procedure.EThOS - Electronic Theses Online ServiceGBUnited Kingdo

The synthesis of artificial neural networks using single string evolutionary techniques.

The research presented in this thesis is concerned with optimising the structure of Artificial Neural Networks. These techniques are based on computer modelling of biological evolution or foetal development. They are known as Evolutionary, Genetic or Embryological methods. Specifically, Embryological techniques are used to grow Artificial Neural Network topologies. The Embryological Algorithm is an alternative to the popular Genetic Algorithm, which is widely used to achieve similar results. The algorithm grows in the sense that the network structure is added to incrementally and thus changes from a simple form to a more complex form. This is unlike the Genetic Algorithm, which causes the structure of the network to evolve in an unstructured or random way. The thesis outlines the following original work: The operation of the Embryological Algorithm is described and compared with the Genetic Algorithm. The results of an exhaustive literature search in the subject area are reported. The growth strategies which may be used to evolve Artificial Neural Network structure are listed. These growth strategies are integrated into an algorithm for network growth. Experimental results obtained from using such a system are described and there is a discussion of the applications of the approach. Consideration is given of the advantages and disadvantages of this technique and suggestions are made for future work in the area. A new learning algorithm based on Taguchi methods is also described. The report concludes that the method of incremental growth is a useful and powerful technique for defining neural network structures and is more efficient than its alternatives. Recommendations are also made with regard to the types of network to which this approach is best suited. Finally, the report contains a discussion of two important aspects of Genetic or Evolutionary techniques related to the above. These are Modular networks (and their synthesis) and the functionality of the network itself

Computational intelligence techniques for maximum energy efficiency of cogeneration processes based on internal combustion engines

153 p.El objeto de la tesis consiste en desarrollar estrategias de modelado y optimización del rendimiento energético de plantas de cogeneración basadas en motores de combustión interna (MCI), mediante el uso de las últimas tecnologías de inteligencia computacional. Con esta finalidad se cuenta con datos reales de una planta de cogeneración de energía, propiedad de la compañía EnergyWorks, situada en la localidad de Monzón (provincia de Huesca). La tesis se realiza en el marco de trabajo conjunto del Grupo de Diseño en Electrónica Digital (GDED) de la Universidad del País Vasco UPV/EHU y la empresa Optimitive S.L., empresa dedicada al software avanzado para la mejora en tiempo real de procesos industriale