Foraging swarms as Nash equilibria of dynamic games

Cataloged from PDF version of article.The question of whether foraging swarms can form as a result of a noncooperative game played by individuals is shown here to have an affirmative answer. A dynamic game played by N agents in 1-D motion is introduced and models, for instance, a foraging ant colony. Each agent controls its velocity to minimize its total work done in a finite time interval. The game is shown to have a unique Nash equilibrium under two different foraging location specifications, and both equilibria display many features of a foraging swarm behavior observed in biological swarms. Explicit expressions are derived for pairwise distances between individuals of the swarm, swarm size, and swarm center location during foraging. © 2013 IEEE

Methods for the Analysis of Matched Molecular Pairs and Chemical Space Representations

Compound optimization is a complex process where different properties are optimized to increase the biological activity and therapeutic effects of a molecule. Frequently, the structure of molecules is modified in order to improve their property values. Therefore, computational analysis of the effects of structure modifications on property values is of great importance for the drug discovery process. It is also essential to analyze chemical space, i.e., the set of all chemically feasible molecules, in order to find subsets of molecules that display favorable property values. This thesis aims to expand the computational repertoire to analyze the effect of structure alterations and visualize chemical space. Matched molecular pairs are defined as pairs of compounds that share a large common substructure and only differ by a small chemical transformation. They have been frequently used to study property changes caused by structure modifications. These analyses are expanded in this thesis by studying the effect of chemical transformations on the ionization state and ligand efficiency, both measures of great importance in drug design. Additionally, novel matched molecular pairs based on retrosynthetic rules are developed to increase their utility for prospective use of chemical transformations in compound optimization. Further, new methods based on matched molecular pairs are described to obtain preliminary SAR information of screening hit compounds and predict the potency change caused by a chemical transformation. Visualizations of chemical space are introduced to aid compound optimization efforts. First, principal component plots are used to rationalize a matched molecular pair based multi-objective compound optimization procedure. Then, star coordinate and parallel coordinate plots are introduced to analyze drug-like subspaces, where compounds with favorable property values can be found. Finally, a novel network-based visualization of high-dimensional property space is developed. Concluding, the applications developed in this thesis expand the methodological spectrum of computer-aided compound optimization

Optimisation of Mobile Communication Networks - OMCO NET

The mini conference “Optimisation of Mobile Communication Networks” focuses on advanced methods for search and optimisation applied to wireless communication networks. It is sponsored by Research & Enterprise Fund Southampton Solent University. The conference strives to widen knowledge on advanced search methods capable of optimisation of wireless communications networks. The aim is to provide a forum for exchange of recent knowledge, new ideas and trends in this progressive and challenging area. The conference will popularise new successful approaches on resolving hard tasks such as minimisation of transmit power, cooperative and optimal routing

Swarm Robotics

Collectively working robot teams can solve a problem more efficiently than a single robot, while also providing robustness and flexibility to the group. Swarm robotics model is a key component of a cooperative algorithm that controls the behaviors and interactions of all individuals. The robots in the swarm should have some basic functions, such as sensing, communicating, and monitoring, and satisfy the following properties

Integration of Massive Plug-in Hybrid Electric Vehicles into Power Distribution Systems: Modeling, Optimization, and Impact Analysis

With the development of vehicle-to-grid (V2G) technology, it is highly promising to use plug-in hybrid electric vehicles (PHEVs) as a new form of distributed energy resources. However, the uncertainties in the power market and the conflicts among different stakeholders make the integration of PHEVs a highly challenging task. Moreover, the integration of PHEVs may lead to negative effects on the power grid performance if the PHEV fleets are not properly managed. This dissertation studies various aspects of the integration of PHEVs into power distribution systems, including the PHEV load demand modeling, smart charging algorithms, frequency regulation, reliability-differentiated service, charging navigation, and adequacy assessment of power distribution systems. This dissertation presents a comprehensive methodology for modeling the load demand of PHEVs. Based on this stochastic model of PHEV, a two-layer evolution strategy particle swarm optimization (ESPSO) algorithm is proposed to integrate PHEVs into a residential distribution grid. This dissertation also develops an innovative load frequency control system, and proposes a hierarchical game framework for PHEVs to optimize their charging process and participate in frequency regulation simultaneously. The potential of using PHEVs to enable reliability-differentiated service in residential distribution grids has been investigated in this dissertation. Further, an integrated electric vehicle (EV) charging navigation framework has been proposed in this dissertation which takes into consideration the impacts from both the power system and transportation system. Finally, this dissertation proposes a comprehensive framework for adequacy evaluation of power distribution networks with PHEVs penetration. This dissertation provides innovative, viable business models for enabling the integration of massive PHEVs into the power grid. It helps evolve the current power grid into a more reliable and efficient system

Particle Swarm Optimization

Particle swarm optimization (PSO) is a population based stochastic optimization technique influenced by the social behavior of bird flocking or fish schooling.PSO shares many similarities with evolutionary computation techniques such as Genetic Algorithms (GA). The system is initialized with a population of random solutions and searches for optima by updating generations. However, unlike GA, PSO has no evolution operators such as crossover and mutation. In PSO, the potential solutions, called particles, fly through the problem space by following the current optimum particles. This book represents the contributions of the top researchers in this field and will serve as a valuable tool for professionals in this interdisciplinary field

Exploring QSAR Models for Activity-Cliff Prediction

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.Comment: Submitted to Journal of Cheminformatic

Intelligent power system operation in an uncertain environment

This dissertation presents some challenging problems in power system operations. The efficacy of a heuristic method, namely, modified discrete particle swarm optimization (MDPSO) algorithm is illustrated and compared with other methods by solving the reliability based generator maintenance scheduling (GMS) optimization problem of a practical hydrothermal power system. The concept of multiple swarms is incorporated into the MDPSO algorithm to form a robust multiple swarms-modified particle swarm optimization (MS-MDPSO) algorithm and applied to solving the GMS problem on two power systems. Heuristic methods are proposed to circumvent the problems of imposed non-smooth assumptions common with the classical approaches in solving the challenging dynamic economic dispatch problem. The multi-objective combined economic and emission dispatch (MO-CEED) optimization problem for a wind-hydrothermal power system is formulated and solved in this dissertation. This MO-CEED problem formulation becomes a challenging problem because of the presence of uncertainty in wind power. A family of distributed optimal Pareto fronts for the MO-CEED problem has been generated for different scenarios of capacity credit of wind power. A real-time (RT) network stability index is formulated for determining a power system\u27s ability to continue to provide service (electric energy) in a RT manner in case of an unforeseen catastrophic contingency. Cascading stages of fuzzy inference system is applied to combine non real-time (NRT) and RT power system assessments. NRT analysis involves eigenvalue and transient energy analysis. RT analysis involves angle, voltage and frequency stability indices. RT Network status index is implemented in real-time on a practical power system --Abstract, page iv

Hybrid Advanced Optimization Methods with Evolutionary Computation Techniques in Energy Forecasting

More accurate and precise energy demand forecasts are required when energy decisions are made in a competitive environment. Particularly in the Big Data era, forecasting models are always based on a complex function combination, and energy data are always complicated. Examples include seasonality, cyclicity, fluctuation, dynamic nonlinearity, and so on. These forecasting models have resulted in an over-reliance on the use of informal judgment and higher expenses when lacking the ability to determine data characteristics and patterns. The hybridization of optimization methods and superior evolutionary algorithms can provide important improvements via good parameter determinations in the optimization process, which is of great assistance to actions taken by energy decision-makers. This book aimed to attract researchers with an interest in the research areas described above. Specifically, it sought contributions to the development of any hybrid optimization methods (e.g., quadratic programming techniques, chaotic mapping, fuzzy inference theory, quantum computing, etc.) with advanced algorithms (e.g., genetic algorithms, ant colony optimization, particle swarm optimization algorithm, etc.) that have superior capabilities over the traditional optimization approaches to overcome some embedded drawbacks, and the application of these advanced hybrid approaches to significantly improve forecasting accuracy