Domination and Decomposition in Multiobjective Programming

During the last few decades, multiobjective programming has received much attention for both its numerous theoretical advances as well as its continued success in modeling and solving real-life decision problems in business and engineering. In extension of the traditionally adopted concept of Pareto optimality, this research investigates the more general notion of domination and establishes various theoretical results that lead to new optimization methods and support decision making. After a preparatory discussion of some preliminaries and a review of the relevant literature, several new findings are presented that characterize the nondominated set of a general vector optimization problem for which the underlying domination structure is defined in terms of different cones. Using concepts from linear algebra and convex analysis, a well known result relating nondominated points for polyhedral cones with Pareto solutions is generalized to nonpolyhedral cones that are induced by positively homogeneous functions, and to translated polyhedral cones that are used to describe a notion of approximate nondominance. Pareto-oriented scalarization methods are modified and several new solution approaches are proposed for these two classes of cones. In addition, necessary and sufficient conditions for nondominance with respect to a variable domination cone are developed, and some more specific results for the case of Bishop-Phelps cones are derived. Based on the above findings, a decomposition framework is proposed for the solution of multi-scenario and large-scale multiobjective programs and analyzed in terms of the efficiency relationships between the original and the decomposed subproblems. Using the concept of approximate nondominance, an interactive decision making procedure is formulated to coordinate tradeoffs between these subproblems and applied to selected problems from portfolio optimization and engineering design. Some introductory remarks and concluding comments together with ideas and research directions for possible future work complete this dissertation

Large-Scale Linear Programming

During the week of June 2-6, 1980, the System and Decision Sciences Area of the International Institute for Applied Systems Analysis organized a workshop on large-scale linear programming in collaboration with the Systems Optimization Laboratory (SOL) of Stanford University, and co-sponsored by the Mathematical Programming Society (MPS). The participants in the meeting were invited from amongst those who actively contribute to research in large-scale linear programming methodology (including development of algorithms and software). The first volume of the Proceedings contains five chapters. The first is an historical review by George B. Dantzig of his own and related research in time-staged linear programming problems. Chapter 2 contains five papers which address various techniques for exploiting sparsity and degeneracy in the now standard LU decomposition of the basis used with the simplex algorithm for standard (unstructured) problems. The six papers of Chapter 3 concern aspects of variants of the simplex method which take into account through basis factorization the specific block-angular structure of constraint matrices generated by dynamic and/or stochastic linear programs. In Chapter 4, five papers address extensions of the original Dantzig-Wolfe procedure for utilizing the structure of planning problems by decomposing the original LP into LP subproblems coordinated by a relatively simple LP master problem of a certain type. Chapter 5 contains four papers which constitute a mini-symposium on the now famous Shor-Khachian ellipsoidal method applied to both real and integer linear programs. The first chapter of Volume 2 contains three papers on non-simplex methods for linear programming. The remaining chapters of Volume 2 concern topics of present interest in the field. A bibliography a large-scale linear programming research completes Volume 2

International Conference on Continuous Optimization (ICCOPT) 2019 Conference Book

The Sixth International Conference on Continuous Optimization took place on the campus of the Technical University of Berlin, August 3-8, 2019. The ICCOPT is a flagship conference of the Mathematical Optimization Society (MOS), organized every three years. ICCOPT 2019 was hosted by the Weierstrass Institute for Applied Analysis and Stochastics (WIAS) Berlin. It included a Summer School and a Conference with a series of plenary and semi-plenary talks, organized and contributed sessions, and poster sessions. This book comprises the full conference program. It contains, in particular, the scientific program in survey style as well as with all details, and information on the social program, the venue, special meetings, and more

Rigorous numerical approaches in electronic structure theory

Electronic structure theory concerns the description of molecular properties according to the postulates of quantum mechanics. For practical purposes, this is realized entirely through numerical computation, the scope of which is constrained by computational costs that increases rapidly with the size of the system. The significant progress made in this field over the past decades have been facilitated in part by the willingness of chemists to forego some mathematical rigour in exchange for greater efficiency. While such compromises allow large systems to be computed feasibly, there are lingering concerns over the impact that these compromises have on the quality of the results that are produced. This research is motivated by two key issues that contribute to this loss of quality, namely i) the numerical errors accumulated due to the use of finite precision arithmetic and the application of numerical approximations, and ii) the reliance on iterative methods that are not guaranteed to converge to the correct solution. Taking the above issues in consideration, the aim of this thesis is to explore ways to perform electronic structure calculations with greater mathematical rigour, through the application of rigorous numerical methods. Of which, we focus in particular on methods based on interval analysis and deterministic global optimization. The Hartree-Fock electronic structure method will be used as the subject of this study due to its ubiquity within this domain. We outline an approach for placing rigorous bounds on numerical error in Hartree-Fock computations. This is achieved through the application of interval analysis techniques, which are able to rigorously bound and propagate quantities affected by numerical errors. Using this approach, we implement a program called Interval Hartree-Fock. Given a closed-shell system and the current electronic state, this program is able to compute rigorous error bounds on quantities including i) the total energy, ii) molecular orbital energies, iii) molecular orbital coefficients, and iv) derived electronic properties. Interval Hartree-Fock is adapted as an error analysis tool for studying the impact of numerical error in Hartree-Fock computations. It is used to investigate the effect of input related factors such as system size and basis set types on the numerical accuracy of the Hartree-Fock total energy. Consideration is also given to the impact of various algorithm design decisions. Examples include the application of different integral screening thresholds, the variation between single and double precision arithmetic in two-electron integral evaluation, and the adjustment of interpolation table granularity. These factors are relevant to both the usage of conventional Hartree-Fock code, and the development of Hartree-Fock code optimized for novel computing devices such as graphics processing units. We then present an approach for solving the Hartree-Fock equations to within a guaranteed margin of error. This is achieved by treating the Hartree-Fock equations as a non-convex global optimization problem, which is then solved using deterministic global optimization. The main contribution of this work is the development of algorithms for handling quantum chemistry specific expressions such as the one and two-electron integrals within the deterministic global optimization framework. This approach was implemented as an extension to an existing open source solver. Proof of concept calculations are performed for a variety of problems within Hartree-Fock theory, including those in i) point energy calculation, ii) geometry optimization, iii) basis set optimization, and iv) excited state calculation. Performance analyses of these calculations are also presented and discussed

Mathematical Optimization Techniques

The papers collected in this volume were presented at the Symposium on Mathematical Optimization Techniques held in the Santa Monica Civic Auditorium, Santa Monica, California, on October 18-20, 1960. The objective of the symposium was to bring together, for the purpose of mutual education, mathematicians, scientists, and engineers interested in modern optimization techniques. Some 250 persons attended. The techniques discussed included recent developments in linear, integer, convex, and dynamic programming as well as the variational processes surrounding optimal guidance, flight trajectories, statistical decisions, structural configurations, and adaptive control systems. The symposium was sponsored jointly by the University of California, with assistance from the National Science Foundation, the Office of Naval Research, the National Aeronautics and Space Administration, and The RAND Corporation, through Air Force Project RAND