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Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems
by David D. O'ReganDensity functional theory (DFT) has become the standard workhorse for quantum mechanical simulations as it offers a good compromise between accuracy and computational cost. However, there are many important systems for which DFT performs very poorly, most notably strongly-correlated materials, resulting in a significant recent growth in interest in 'beyond DFT' methods. The widely used DFT+U technique, in particular, involves the addition of explicit Coulomb repulsion terms to reproduce the physics of spatially-localised electronic subspaces. The magnitude of these corrective terms, measured by the famous Hubbard U parameter, has received much attention but less so for the projections used to delineate these subspaces. The dependence on the choice of these projections is studied in detail here and a method to overcome this ambiguity in DFT+U, by self-consistently determining the projections, is introduced. The author shows how nonorthogonal representations for electronic states may be used to construct these projections and, furthermore, how DFT+U may be implemented with a linearly increasing cost with respect to system size. The use of nonorthogonal functions in the context of electronic structure calculations is extensively discussed and clarified, with new interpretations and results, and, on this topic, this work may serve as a reference for future workers in the field.
Optimization
by Kenneth LangeFinite-dimensional optimization problems occur throughout the mathematical sciences. The majority of these problems cannot be solved analytically. This introduction to optimization attempts to strike a balance between presentation of mathematical theory and development of numerical algorithms. Building on students' skills in calculus and linear algebra, the text provides a rigorous exposition without undue abstraction. Its stress on statistical applications will be especially appealing to graduate students of statistics and biostatistics. The intended audience also includes students in applied mathematics, computational biology, computer science, economics, and physics who want to see rigorous mathematics combined with real applications. In this second edition the emphasis remains on finite-dimensional optimization. New material has been added on the MM algorithm, block descent and ascent, and the calculus of variations. Convex calculus is now treated in much greater depth. Advanced topics such as the Fenchel conjugate, subdifferentials, duality, feasibility, alternating projections, projected gradient methods, exact penalty methods, and Bregman iteration will equip students with the essentials for understanding modern data mining techniques in high dimensions.
Optimization Algorithms for Distributed Machine Learning (Synthesis Lectures on Learning, Networks, and Algorithms)
by Gauri JoshiThis book discusses state-of-the-art stochastic optimization algorithms for distributed machine learning and analyzes their convergence speed. The book first introduces stochastic gradient descent (SGD) and its distributed version, synchronous SGD, where the task of computing gradients is divided across several worker nodes. The author discusses several algorithms that improve the scalability and communication efficiency of synchronous SGD, such as asynchronous SGD, local-update SGD, quantized and sparsified SGD, and decentralized SGD. For each of these algorithms, the book analyzes its error versus iterations convergence, and the runtime spent per iteration. The author shows that each of these strategies to reduce communication or synchronization delays encounters a fundamental trade-off between error and runtime.
Optimization Algorithms for Networks and Graphs
by James EvansA revised and expanded advanced-undergraduate/graduate text (first ed., 1978) about optimization algorithms for problems that can be formulated on graphs and networks. This edition provides many new applications and algorithms while maintaining the classic foundations on which contemporary algorithm
Optimization Algorithms in Machine Learning: A Meta-heuristics Perspective (Engineering Optimization: Methods and Applications)
by Seyedali Mirjalili Debashish Das Ali Safaa SadiqThis book explores the development of several new learning algorithms that utilize recent optimization techniques and meta-heuristics. It addresses well-known models such as particle swarm optimization, genetic algorithm, ant colony optimization, evolutionary strategy, population-based incremental learning, and grey wolf optimizer for training neural networks. Additionally, the book examines the challenges associated with these processes in detail. This volume will serve as a valuable reference for individuals in both academia and industry.
Optimization Approaches for Solving String Selection Problems
by Panos M. Pardalos Elisa Pappalardo Giovanni StracquadanioOptimization Approaches for Solving String Selection Problems provides an overview of optimization methods for a wide class of genomics-related problems in relation to the string selection problems. This class of problems addresses the recognition of similar characteristics or differences within biological sequences. Specifically, this book considers a large class of problems, ranging from the closest string and substring problems, to the farthest string and substring problems, to the far from most string problem. Each problem includes a detailed description, highlighting both biological and mathematical features and presents state-of-the-art approaches. This Brief provides a quick introduction of optimization methods for string selection problems for young scientists and a detailed description of the mathematical and computational methods developed for experts in the field of optimization who want to deepen their understanding of the string selection problems. Researchers, practitioners and graduate students in the field of Computer Science, Operation Research, Mathematics, Computational Biology and Biomedicine will find this book useful.
Optimization Based Model Using Fuzzy and Other Statistical Techniques Towards Environmental Sustainability
by Samsul Ariffin Abdul Karim Evizal Abdul Kadir Arbi Haza NasutionThis book explores key examples concerning the implementation of information technology and mathematical modeling to solve issues concerning environmental sustainability. The examples include using fuzzy weighted multivariate regression to predict the water quality index at Perak River in Malaysia; using wireless sensor networks (WSNs) for a remote river water pollution monitoring system; deriving biomass activated carbon from oil palm shell; and assessing the performance of a PV/T air solar collector. The book offers a valuable resource for all graduate students and researchers who are working in this rapidly growing area.
Optimization Essentials: Theory, Tools, and Applications (International Series in Operations Research & Management Science #353)
by Faiz HamidThis book explores recent developments and exciting challenges in operations research and mathematical optimization. It provides the following in a unified and carefully developed presentation: (a) novel problems that have arisen in the real-life optimization domain, highlighting the challenges in each problem; (b) significant methodological advances for solving existing optimization problems, with a special emphasis on large scale problems. The book assumes a decent understanding of matrix algebra, linear and integer programming, non-linear programming, computational complexity, and graph theory. Each chapter in this book starts with an introduction to the underlying optimization technique. It then explores a real-life case study to which the technique will be applied. The objective is to demonstrate how the underlying technique can be utilized to solve a challenging problem. The chapters offer details on how to formulate a research problem into a formal optimization model, reformulate or transform it (if required) to improve computational tractability, and apply necessary customizations to the optimization technique specific to the underlying problem to derive an optimal or near-optimal solution. The book covers various state-of-the-art methods (both exact and heuristics) and modelling approaches in sync with the current research trends, which are still not discussed in typical graduate-level textbooks. Applications covered in the book span the realms of resource planning, telecommunications, scheduling, logistics, education, environmental conservation, and many others. It is thus a valuable resource for post-graduate students of operations research and mathematical optimization. It also serves as a valuable reference for researchers who wish to explore various optimization techniques as part of their research methodologies. The learning from the book should enable the professionals to apply optimization theory and algorithms to their particular field of interest.
Optimization Methods
by Marco CavazzutiThis book is about optimization techniques and is subdivided into two parts. In the first part a wide overview on optimization theory is presented. Optimization is presented as being composed of five topics, namely: design of experiment, response surface modeling, deterministic optimization, stochastic optimization, and robust engineering design. Each chapter, after presenting the main techniques for each part, draws application oriented conclusions including didactic examples. In the second part some applications are presented to guide the reader through the process of setting up a few optimization exercises, analyzing critically the choices which are made step by step, and showing how the different topics that constitute the optimization theory can be used jointly in an optimization process. The applications which are presented are mainly in the field of thermodynamics and fluid dynamics due to the author's background.
Optimization Methods and Applications: In Honor Of Ivan V. Sergienko's 80th Birthday (Springer Optimization And Its Applications #130)
by Panos M. Pardalos Sergiy Butenko Volodymyr ShyloResearchers and practitioners in computer science, optimization, operations research and mathematics will find this book useful as it illustrates optimization models and solution methods in discrete, non-differentiable, stochastic, and nonlinear optimization. Contributions from experts in optimization are showcased in this book showcase a broad range of applications and topics detailed in this volume, including pattern and image recognition, computer vision, robust network design, and process control in nonlinear distributed systems. This book is dedicated to the 80th birthday of Ivan V. Sergienko, who is a member of the National Academy of Sciences (NAS) of Ukraine and the director of the V.M. Glushkov Institute of Cybernetics. His work has had a significant impact on several theoretical and applied aspects of discrete optimization, computational mathematics, systems analysis and mathematical modeling.
Optimization Methods for Gas and Power Markets: Theory and Cases (Applied Quantitative Finance)
by Stefano Fiorenzani Enrico Edoli Tiziano VargioluAs power and gas markets are becoming more and more mature and globally competitive, the importance of reaching maximum potential economic efficiency is fundamental in all the sectors of the value chain, from investments selection to asset optimization, trading and sales. Optimization techniques can be used in many different fields of the energy industry, in order to reduce production and financial costs, increase sales revenues and mitigate all kinds of risks potentially affecting the economic margin. For this reason the industry has now focused its attention on the general concept of optimization and to the different techniques (mainly mathematical techniques) to reach it.Optimization Methods for Gas and Power Markets presents both theoretical elements and practical examples for solving energy optimization issues in gas and power markets. Starting with the theoretical framework and the basic business and economics of power and gas optimization, it quickly moves on to review the mathematical optimization problems inherent to the industry, and their solutions – all supported with examples from the energy sector. Coverage ranges from very long-term (and capital intensive) optimization problems such as investment valuation/diversification to asset (gas and power) optimization/hedging problems, and pure trading decisions.This book first presents the readers with various examples of optimization problems arising in power and gas markets, then deals with general optimization problems and describes the mathematical tools useful for their solution. The remainder of the book is dedicated to presenting a number of key business cases which apply the proposed techniques to concrete market problems. Topics include static asset optimization, real option evaluation, dynamic optimization of structured products like swing, virtual storage or virtual power plant contracts and optimal trading in intra-day power markets. As the book progresses, so too does the level of mathematical complexity, providing readers with an appreciation of the growing sophistication of even common problems in current market practice.Optimization Methods for Gas and Power Markets provides a valuable quantitative guide to the technicalities of optimization methodologies in gas and power markets; it is essential reading for practitioners in the energy industry and financial sector who work in trading, quantitative analysis and energy risk modeling.
Optimization Methods, Theory and Applications
by Honglei Xu Song Wang Soon-Yi WuThis book presents the latest research findings and state-of-the-art solutions on optimization techniques and provides new research direction and developments. Both the theoretical and practical aspects of the book will be much beneficial to experts and students in optimization and operation research community. It selects high quality papers from The International Conference on Optimization: Techniques and Applications (ICOTA2013). The conference is an official conference series of POP (The Pacific Optimization Research Activity Group; there are over 500 active members). These state-of-the-art works in this book authored by recognized experts will make contributions to the development of optimization with its applications.
Optimization Modelling Using R (Chapman & Hall/CRC Series in Operations Research)
by Timothy R. AndersonThis book covers using R for doing optimization, a key area of operations research, which has been applied to virtually every industry. The focus is on linear and mixed integer optimization. It uses an algebraic modeling approach for creating formulations that pairs naturally with an algebraic implementation in R. With the rapid rise of interest in data analytics, a data analytics platform is key. Working technology and business professionals need an awareness of the tools and language of data analysis. R reduces the barrier to entry for people to start using data analytics tools. Philosophically, the book emphasizes creating formulations before going intoimplementation. Algebraic representation allows for clear understanding and generalizationof large applications, and writing formulations is necessary to explain and convey the modeling decisions made. Appendix A introduces R. Mathematics is used at the level of subscripts and summations Refreshers are provided in Appendix B. This book: • Provides and explains code so examples are relatively clear and self-contained.• Emphasizes creating algebraic formulations before implementing.• Focuses on application rather than algorithmic details.• Embodies the philosophy of reproducible research.• Uses open-source tools to ensure access to powerful optimization tools.• Promotes open-source: all materials are available on the author’s github repository.• Demonstrates common debugging practices with a troubleshooting emphasis specific to optimization modeling using R.• Provides code readers can adapt to their own applications.This book can be used for graduate and undergraduate courses for students without a background in optimization and with varying mathematical backgrounds.
Optimization Models
by Giuseppe C. Calafiore Laurent El GhaouiEmphasizing practical understanding over the technicalities of specific algorithms, this elegant textbook is an accessible introduction to the field of optimization, focusing on powerful and reliable convex optimization techniques. Students and practitioners will learn how to recognize, simplify, model and solve optimization problems - and apply these principles to their own projects. A clear and self-contained introduction to linear algebra demonstrates core mathematical concepts in a way that is easy to follow, and helps students to understand their practical relevance. Requiring only a basic understanding of geometry, calculus, probability and statistics, and striking a careful balance between accessibility and rigor, it enables students to quickly understand the material, without being overwhelmed by complex mathematics. Accompanied by numerous end-of-chapter problems, an online solutions manual for instructors, and relevant examples from diverse fields including engineering, data science, economics, finance, and management, this is the perfect introduction to optimization for undergraduate and graduate students.
Optimization Models and Methods for Equilibrium Traffic Assignment (Springer Tracts on Transportation and Traffic #15)
by Tero Tuovinen Victor Zakharov Alexander KrylatovThis book is focused on the discussion of the traffic assignment problem, the mathematical and practical meaning of variables, functions and basic principles. This work gives information about new approaches, methods and algorithms based on original methodological technique, developed by authors in their publications for the past several years, as well as corresponding prospective implementations. The book may be of interest to a wide range of readers, such as civil engineering students, traffic engineers, developers of traffic assignment algorithms etc. The obtained results here are to be used in both practice and theory. This book is devoted to the traffic assignment problem, formulated in a form of nonlinear optimization program. The most efficient solution algorithms related to the problem are based on its structural features and practical meaning rather than on standard nonlinear optimization techniques or approaches. The authors have carefully considered the meaning of the traffic assignment problem for efficient algorithms development.
Optimization Models in a Transition Economy
by Ivan V. Sergienko Mikhail Mikhalevich Ludmilla KoshlaiThis book opens new avenues in understanding mathematical models within the context of a transition economy. The exposition lays out the methods for combining different mathematical structures and tools to effectively build the next model that will accurately reflect real world economic processes. Mathematical modeling of weather phenomena allows us to forecast certain essential weather parameters without any possibility of changing them. By contrast, modeling of transition economies gives us the freedom to not only predict changes in important indexes of all types of economies, but also to influence them more effectively in the desired direction. Simply put: any economy, including a transitional one, can be controlled. This book is useful to anyone who wants to increase profits within their business, or improve the quality of their family life and the economic area they live in. It is beneficial for undergraduate and graduate students specializing in the fields of Economic Informatics, Economic Cybernetics, Applied Mathematics and Large Information Systems, as well as for professional economists, and employees of state planning and statistical organizations.
Optimization Problems in Graph Theory: In Honor of Gregory Z. Gutin's 60th Birthday (Springer Optimization and Its Applications #139)
by Boris GoldengorinThis book presents open optimization problems in graph theory and networks. Each chapter reflects developments in theory and applications based on Gregory Gutin’s fundamental contributions to advanced methods and techniques in combinatorial optimization. Researchers, students, and engineers in computer science, big data, applied mathematics, operations research, algorithm design, artificial intelligence, software engineering, data analysis, industrial and systems engineering will benefit from the state-of-the-art results presented in modern graph theory and its applications to the design of efficient algorithms for optimization problems. Topics covered in this work include:· Algorithmic aspects of problems with disjoint cycles in graphs· Graphs where maximal cliques and stable sets intersect· The maximum independent set problem with special classes· A general technique for heuristic algorithms for optimization problems · The network design problem with cut constraints· Algorithms for computing the frustration index of a signed graph· A heuristic approach for studying the patrol problem on a graph· Minimum possible sum and product of the proper connection number· Structural and algorithmic results on branchings in digraphs · Improved upper bounds for Korkel--Ghosh benchmark SPLP instances
Optimization Techniques and Applications with Examples
by Xin-She YangA guide to modern optimization applications and techniques in newly emerging areas spanning optimization, data science, machine intelligence, engineering, and computer sciences Optimization Techniques and Applications with Examples introduces the fundamentals of all the commonly used techniques in optimization that encompass the broadness and diversity of the methods (traditional and new) and algorithms. <p><p> The author—a noted expert in the field—covers a wide range of topics including mathematical foundations, optimization formulation, optimality conditions, algorithmic complexity, linear programming, convex optimization, and integer programming. In addition, the book discusses artificial neural network, clustering and classifications, constraint-handling, queueing theory, support vector machine and multi-objective optimization, evolutionary computation, nature-inspired algorithms and many other topics. <p> Designed as a practical resource, all topics are explained in detail with step-by-step examples to show how each method works. The book’s exercises test the acquired knowledge that can be potentially applied to real problem solving. By taking an informal approach to the subject, the author helps readers to rapidly acquire the basic knowledge in optimization, operational research, and applied data mining.
Optimization Techniques for Sustainable Environment Under Uncertainty (Engineering Optimization: Methods and Applications)
by Ritu Arora Shalini AroraThe book's objective is to develop mathematical structures that can be applied to real-life problems with sustainable goals. It focuses on the impact of sustainable living on social, economic, and environmental aspects, aiming to create optimization techniques that minimize emissions and maximize green energy. These optimization problems may include sustainable transport, cities, economic development, living, and tourism. The book brings together researchers, academics, and professionals from various fields to find optimal or satisfactory solutions for various environmentally friendly sustainable problems. It aims to achieve this not only with existing optimization techniques, but also with novel approaches such as lexicographic optimization, heuristic approaches, DEA, and genetic algorithms. The goal is to develop practical algorithms and methods applicable to these problems under uncertain circumstances and explore the potential for improving the efficiency of existing algorithms.
Optimization Theory for Large Systems (Dover Books on Mathematics)
by Leon S. LasdonImportant text examines most significant algorithms for optimizing large systems and clarifying relations between optimization procedures. Much data appear as charts and graphs and will be highly valuable to readers in selecting a method and estimating computer time and cost in problem-solving. Initial chapter on linear and nonlinear programming presents all necessary background for subjects covered in rest of book. Second chapter illustrates how large-scale mathematical programs arise from real-world problems. Appendixes. List of Symbols.
Optimization Theory with Applications
by Donald A. PierreOptimization principles are of undisputed importance in modern design and system operation. They can be used for many purposes: optimal design of systems, optimal operation of systems, determination of performance limitations of systems, or simply the solution of sets of equations. While most books on optimization are limited to essentially one approach, this volume offers a broad spectrum of approaches, with emphasis on basic techniques from both classical and modern work.After an introductory chapter introducing those system concepts that prevail throughout optimization problems of all types, the author discusses the classical theory of minima and maxima (Chapter 2). In Chapter 3, necessary and sufficient conditions for relative extrema of functionals are developed from the viewpoint of the Euler-Lagrange formalism of the calculus of variations. Chapter 4 is restricted to linear time-invariant systems for which significant results can be obtained via transform methods with a minimum of computational difficulty. In Chapter 5, emphasis is placed on applied problems which can be converted to a standard problem form for linear programming solutions, with the fundamentals of convex sets and simplex technique for solution given detailed attention. Chapter 6 examines search techniques and nonlinear programming. Chapter 7 covers Bellman's principle of optimality, and finally, Chapter 8 gives valuable insight into the maximum principle extension of the classical calculus of variations.Designed for use in a first course in optimization for advanced undergraduates, graduate students, practicing engineers, and systems designers, this carefully written text is accessible to anyone with a background in basic differential equation theory and matrix operations. To help students grasp the material, the book contains many detailed examples and problems, and also includes reference sections for additional reading.
Optimization Under Stochastic Uncertainty: Methods, Control and Random Search Methods (International Series in Operations Research & Management Science #296)
by Kurt MartiThis book examines application and methods to incorporating stochastic parameter variations into the optimization process to decrease expense in corrective measures. Basic types of deterministic substitute problems occurring mostly in practice involve i) minimization of the expected primary costs subject to expected recourse cost constraints (reliability constraints) and remaining deterministic constraints, e.g. box constraints, as well as ii) minimization of the expected total costs (costs of construction, design, recourse costs, etc.) subject to the remaining deterministic constraints.After an introduction into the theory of dynamic control systems with random parameters, the major control laws are described, as open-loop control, closed-loop, feedback control and open-loop feedback control, used for iterative construction of feedback controls. For approximate solution of optimization and control problems with random parameters and involving expected cost/loss-type objective, constraint functions, Taylor expansion procedures, and Homotopy methods are considered, Examples and applications to stochastic optimization of regulators are given. Moreover, for reliability-based analysis and optimal design problems, corresponding optimization-based limit state functions are constructed. Because of the complexity of concrete optimization/control problems and their lack of the mathematical regularity as required of Mathematical Programming (MP) techniques, other optimization techniques, like random search methods (RSM) became increasingly important.Basic results on the convergence and convergence rates of random search methods are presented. Moreover, for the improvement of the – sometimes very low – convergence rate of RSM, search methods based on optimal stochastic decision processes are presented. In order to improve the convergence behavior of RSM, the random search procedure is embedded into a stochastic decision process for an optimal control of the probability distributions of the search variates (mutation random variables).
Optimization Using Evolutionary Algorithms and Metaheuristics: Applications in Engineering (Science, Technology, and Management)
by J. Paulo Davim Kaushik KumarMetaheuristic optimization is a higher-level procedure or heuristic designed to find, generate, or select a heuristic (partial search algorithm) that may provide a sufficiently good solution to an optimization problem, especially with incomplete or imperfect information or limited computation capacity. This is usually applied when two or more objectives are to be optimized simultaneously. This book is presented with two major objectives. Firstly, it features chapters by eminent researchers in the field providing the readers about the current status of the subject. Secondly, algorithm-based optimization or advanced optimization techniques, which are applied to mostly non-engineering problems, are applied to engineering problems. This book will also serve as an aid to both research and industry. Usage of these methodologies would enable the improvement in engineering and manufacturing technology and support an organization in this era of low product life cycle. Features: Covers the application of recent and new algorithms Focuses on the development aspects such as including surrogate modeling, parallelization, game theory, and hybridization Presents the advances of engineering applications for both single-objective and multi-objective optimization problems Offers recent developments from a variety of engineering fields Discusses Optimization using Evolutionary Algorithms and Metaheuristics applications in engineering
Optimization and Applications: 11th International Conference, OPTIMA 2020, Moscow, Russia, September 28 – October 2, 2020, Proceedings (Lecture Notes in Computer Science #12422)
by Michael Khachay Vlasta Malkova Nicholas Olenev Yuri EvtushenkoThis book constitutes the refereed proceedings of the 11th International Conference on Optimization and Applications, OPTIMA 2020, held in Moscow, Russia, in September-October 2020.*The 21 full and 2 short papers presented were carefully reviewed and selected from 60 submissions. The papers cover such topics as mathematical programming, combinatorial and discrete optimization, optimal control, optimization in economics, finance, and social sciences, global optimization, and applications. * The conference was held virtually due to the COVID-19 pandemic.
Optimization and Applications: 14th International Conference, OPTIMA 2023, Petrovac, Montenegro, September 18–22, 2023, Revised Selected Papers (Lecture Notes in Computer Science #14395)
by Michael Khachay Milojica Jaćimović Vlasta Malkova Nicholas Olenev Yuri EvtushenkoThis book constitutes the refereed proceedings of the 14th International Conference on Optimization and Applications, OPTIMA 2023, held in Petrovac, Montenegro, during September 18–22, 2023.The 27 full papers included in this book were carefully reviewed and selected from 68 submissions. They were organized in topical sections as follows: mathematical programming; global optimization; discrete and combinatorial optimization; game theory and mathematical economics; optimization in economics and finance; and applications.