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Author: Antonio Mucherino
Publisher: Springer
ISBN: 9781489985781
Category : Mathematics
Languages : en
Pages : 0
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Book Description
This volume is a collection of research surveys on the Distance Geometry Problem (DGP) and its applications. It will be divided into three parts: Theory, Methods and Applications. Each part will contain at least one survey and several research papers. The first part, Theory, will deal with theoretical aspects of the DGP, including a new class of problems and the study of its complexities as well as the relation between DGP and other related topics, such as: distance matrix theory, Euclidean distance matrix completion problem, multispherical structure of distance matrices, distance geometry and geometric algebra, algebraic distance geometry theory, visualization of K-dimensional structures in the plane, graph rigidity, and theory of discretizable DGP: symmetry and complexity. The second part, Methods, will discuss mathematical and computational properties of methods developed to the problems considered in the first chapter including continuous methods (based on Gaussian and hyperbolic smoothing, difference of convex functions, semidefinite programming, branch-and-bound), discrete methods (based on branch-and-prune, geometric build-up, graph rigidity), and also heuristics methods (based on simulated annealing, genetic algorithms, tabu search, variable neighborhood search). Applications will comprise the third part and will consider applications of DGP to NMR structure calculation, rational drug design, molecular dynamics simulations, graph drawing and sensor network localization. This volume will be the first edited book on distance geometry and applications. The editors are in correspondence with the major contributors to the field of distance geometry, including important research centers in molecular biology such as Institut Pasteur in Paris.
Author: Antonio Mucherino
Publisher: Springer
ISBN: 9781489985781
Category : Mathematics
Languages : en
Pages : 0
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Book Description
This volume is a collection of research surveys on the Distance Geometry Problem (DGP) and its applications. It will be divided into three parts: Theory, Methods and Applications. Each part will contain at least one survey and several research papers. The first part, Theory, will deal with theoretical aspects of the DGP, including a new class of problems and the study of its complexities as well as the relation between DGP and other related topics, such as: distance matrix theory, Euclidean distance matrix completion problem, multispherical structure of distance matrices, distance geometry and geometric algebra, algebraic distance geometry theory, visualization of K-dimensional structures in the plane, graph rigidity, and theory of discretizable DGP: symmetry and complexity. The second part, Methods, will discuss mathematical and computational properties of methods developed to the problems considered in the first chapter including continuous methods (based on Gaussian and hyperbolic smoothing, difference of convex functions, semidefinite programming, branch-and-bound), discrete methods (based on branch-and-prune, geometric build-up, graph rigidity), and also heuristics methods (based on simulated annealing, genetic algorithms, tabu search, variable neighborhood search). Applications will comprise the third part and will consider applications of DGP to NMR structure calculation, rational drug design, molecular dynamics simulations, graph drawing and sensor network localization. This volume will be the first edited book on distance geometry and applications. The editors are in correspondence with the major contributors to the field of distance geometry, including important research centers in molecular biology such as Institut Pasteur in Paris.
Author: Leo Liberti
Publisher: Springer
ISBN: 3319607928
Category : Mathematics
Languages : en
Pages : 141
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Book Description
This textbook, the first of its kind, presents the fundamentals of distance geometry: theory, useful methodologies for obtaining solutions, and real world applications. Concise proofs are given and step-by-step algorithms for solving fundamental problems efficiently and precisely are presented in Mathematica®, enabling the reader to experiment with concepts and methods as they are introduced. Descriptive graphics, examples, and problems, accompany the real gems of the text, namely the applications in visualization of graphs, localization of sensor networks, protein conformation from distance data, clock synchronization protocols, robotics, and control of unmanned underwater vehicles, to name several. Aimed at intermediate undergraduates, beginning graduate students, researchers, and practitioners, the reader with a basic knowledge of linear algebra will gain an understanding of the basic theories of distance geometry and why they work in real life.
Author: Carlile Lavor
Publisher: Springer
ISBN: 3319571834
Category : Computers
Languages : en
Pages : 59
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Book Description
This book is a pedagogical presentation aimed at advanced undergraduate students, beginning graduate students and professionals who are looking for an introductory text to the field of Distance Geometry, and some of its applications. This versions profits from feedback acquired at undergraduate/graduate courses in seminars and a number of workshops.
Author: Jon Dattorro
Publisher: Meboo Publishing USA
ISBN: 0976401304
Category : Mathematics
Languages : en
Pages : 776
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Book Description
The study of Euclidean distance matrices (EDMs) fundamentally asks what can be known geometrically given onlydistance information between points in Euclidean space. Each point may represent simply locationor, abstractly, any entity expressible as a vector in finite-dimensional Euclidean space.The answer to the question posed is that very much can be known about the points;the mathematics of this combined study of geometry and optimization is rich and deep.Throughout we cite beacons of historical accomplishment.The application of EDMs has already proven invaluable in discerning biological molecular conformation.The emerging practice of localization in wireless sensor networks, the global positioning system (GPS), and distance-based pattern recognitionwill certainly simplify and benefit from this theory.We study the pervasive convex Euclidean bodies and their various representations.In particular, we make convex polyhedra, cones, and dual cones more visceral through illustration, andwe study the geometric relation of polyhedral cones to nonorthogonal bases biorthogonal expansion.We explain conversion between halfspace- and vertex-descriptions of convex cones,we provide formulae for determining dual cones,and we show how classic alternative systems of linear inequalities or linear matrix inequalities and optimality conditions can be explained by generalized inequalities in terms of convex cones and their duals.The conic analogue to linear independence, called conic independence, is introducedas a new tool in the study of classical cone theory; the logical next step in the progression:linear, affine, conic.Any convex optimization problem has geometric interpretation.This is a powerful attraction: the ability to visualize geometry of an optimization problem.We provide tools to make visualization easier.The concept of faces, extreme points, and extreme directions of convex Euclidean bodiesis explained here, crucial to understanding convex optimization.The convex cone of positive semidefinite matrices, in particular, is studied in depth.We mathematically interpret, for example,its inverse image under affine transformation, and we explainhow higher-rank subsets of its boundary united with its interior are convex.The Chapter on "Geometry of convex functions",observes analogies between convex sets and functions:The set of all vector-valued convex functions is a closed convex cone.Included among the examples in this chapter, we show how the real affinefunction relates to convex functions as the hyperplane relates to convex sets.Here, also, pertinent results formultidimensional convex functions are presented that are largely ignored in the literature;tricks and tips for determining their convexityand discerning their geometry, particularly with regard to matrix calculus which remains largely unsystematizedwhen compared with the traditional practice of ordinary calculus.Consequently, we collect some results of matrix differentiation in the appendices.The Euclidean distance matrix (EDM) is studied,its properties and relationship to both positive semidefinite and Gram matrices.We relate the EDM to the four classical axioms of the Euclidean metric;thereby, observing the existence of an infinity of axioms of the Euclidean metric beyondthe triangle inequality. We proceed byderiving the fifth Euclidean axiom and then explain why furthering this endeavoris inefficient because the ensuing criteria (while describing polyhedra)grow linearly in complexity and number.Some geometrical problems solvable via EDMs,EDM problems posed as convex optimization, and methods of solution arepresented;\eg, we generate a recognizable isotonic map of the United States usingonly comparative distance information (no distance information, only distance inequalities).We offer a new proof of the classic Schoenberg criterion, that determines whether a candidate matrix is an EDM. Our proofrelies on fundamental geometry; assuming, any EDM must correspond to a list of points contained in some polyhedron(possibly at its vertices) and vice versa.It is not widely known that the Schoenberg criterion implies nonnegativity of the EDM entries; proved here.We characterize the eigenvalues of an EDM matrix and then devisea polyhedral cone required for determining membership of a candidate matrix(in Cayley-Menger form) to the convex cone of Euclidean distance matrices (EDM cone); \ie,a candidate is an EDM if and only if its eigenspectrum belongs to a spectral cone for EDM^N.We will see spectral cones are not unique.In the chapter "EDM cone", we explain the geometric relationship betweenthe EDM cone, two positive semidefinite cones, and the elliptope.We illustrate geometric requirements, in particular, for projection of a candidate matrixon a positive semidefinite cone that establish its membership to the EDM cone. The faces of the EDM cone are described,but still open is the question whether all its faces are exposed as they are for the positive semidefinite cone.The classic Schoenberg criterion, relating EDM and positive semidefinite cones, isrevealed to be a discretized membership relation (a generalized inequality, a new Farkas''''''''-like lemma)between the EDM cone and its ordinary dual. A matrix criterion for membership to the dual EDM cone is derived thatis simpler than the Schoenberg criterion.We derive a new concise expression for the EDM cone and its dual involvingtwo subspaces and a positive semidefinite cone."Semidefinite programming" is reviewedwith particular attention to optimality conditionsof prototypical primal and dual conic programs,their interplay, and the perturbation method of rank reduction of optimal solutions(extant but not well-known).We show how to solve a ubiquitous platonic combinatorial optimization problem from linear algebra(the optimal Boolean solution x to Ax=b)via semidefinite program relaxation.A three-dimensional polyhedral analogue for the positive semidefinite cone of 3X3 symmetricmatrices is introduced; a tool for visualizing in 6 dimensions.In "EDM proximity"we explore methods of solution to a few fundamental and prevalentEuclidean distance matrix proximity problems; the problem of finding that Euclidean distance matrix closestto a given matrix in the Euclidean sense.We pay particular attention to the problem when compounded with rank minimization.We offer a new geometrical proof of a famous result discovered by Eckart \& Young in 1936 regarding Euclideanprojection of a point on a subset of the positive semidefinite cone comprising all positive semidefinite matriceshaving rank not exceeding a prescribed limit rho.We explain how this problem is transformed to a convex optimization for any rank rho.
Author: Eugene F. Krause
Publisher: Courier Corporation
ISBN: 048613606X
Category : Mathematics
Languages : en
Pages : 99
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Book Description
Fascinating, accessible introduction to unusual mathematical system in which distance is not measured by straight lines. Illustrated topics include applications to urban geography and comparisons to Euclidean geometry. Selected answers to problems.
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0470126094
Category : Science
Languages : en
Pages : 482
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Book Description
Führende Experten auf dem Gebiet der Computer-Chemie präsentieren in dem fünften Band der erfolgreichen Reihe 'Reviews in Computational Chemistry' die neuesten Entwicklungen. Um den interessierten Chemiker auf dem aktuellen Stand zu halten, ist der Reihe im Anhang eine Liste mit der Software zum Thema beigefügt
Author: G.E. Martin
Publisher: Springer Science & Business Media
ISBN: 1461257255
Category : Mathematics
Languages : en
Pages : 525
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Book Description
This book is a text for junior, senior, or first-year graduate courses traditionally titled Foundations of Geometry and/or Non Euclidean Geometry. The first 29 chapters are for a semester or year course on the foundations of geometry. The remaining chap ters may then be used for either a regular course or independent study courses. Another possibility, which is also especially suited for in-service teachers of high school geometry, is to survey the the fundamentals of absolute geometry (Chapters 1 -20) very quickly and begin earnest study with the theory of parallels and isometries (Chapters 21 -30). The text is self-contained, except that the elementary calculus is assumed for some parts of the material on advanced hyperbolic geometry (Chapters 31 -34). There are over 650 exercises, 30 of which are 10-part true-or-false questions. A rigorous ruler-and-protractor axiomatic development of the Euclidean and hyperbolic planes, including the classification of the isometries of these planes, is balanced by the discussion about this development. Models, such as Taxicab Geometry, are used exten sively to illustrate theory. Historical aspects and alternatives to the selected axioms are prominent. The classical axiom systems of Euclid and Hilbert are discussed, as are axiom systems for three and four-dimensional absolute geometry and Pieri's system based on rigid motions. The text is divided into three parts. The Introduction (Chapters 1 -4) is to be read as quickly as possible and then used for ref erence if necessary.
Author: Frank Nielsen
Publisher: Springer
ISBN: 3642400205
Category : Computers
Languages : en
Pages : 863
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Book Description
This book constitutes the refereed proceedings of the First International Conference on Geometric Science of Information, GSI 2013, held in Paris, France, in August 2013. The nearly 100 papers presented were carefully reviewed and selected from numerous submissions and are organized into the following thematic sessions: Geometric Statistics on Manifolds and Lie Groups, Deformations in Shape Spaces, Differential Geometry in Signal Processing, Relational Metric, Discrete Metric Spaces, Computational Information Geometry, Hessian Information Geometry I and II, Computational Aspects of Information Geometry in Statistics, Optimization on Matrix Manifolds, Optimal Transport Theory, Probability on Manifolds, Divergence Geometry and Ancillarity, Entropic Geometry, Tensor-Valued Mathematical Morphology, Machine/Manifold/Topology Learning, Geometry of Audio Processing, Geometry of Inverse Problems, Algebraic/Infinite dimensional/Banach Information Manifolds, Information Geometry Manifolds, and Algorithms on Manifolds.
Author: Dmitri Burago
Publisher: American Mathematical Society
ISBN: 1470468530
Category : Mathematics
Languages : en
Pages : 415
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Book Description
“Metric geometry” is an approach to geometry based on the notion of length on a topological space. This approach experienced a very fast development in the last few decades and penetrated into many other mathematical disciplines, such as group theory, dynamical systems, and partial differential equations. The objective of this graduate textbook is twofold: to give a detailed exposition of basic notions and techniques used in the theory of length spaces, and, more generally, to offer an elementary introduction into a broad variety of geometrical topics related to the notion of distance, including Riemannian and Carnot-Carathéodory metrics, the hyperbolic plane, distance-volume inequalities, asymptotic geometry (large scale, coarse), Gromov hyperbolic spaces, convergence of metric spaces, and Alexandrov spaces (non-positively and non-negatively curved spaces). The authors tend to work with “easy-to-touch” mathematical objects using “easy-to-visualize” methods. The authors set a challenging goal of making the core parts of the book accessible to first-year graduate students. Most new concepts and methods are introduced and illustrated using simplest cases and avoiding technicalities. The book contains many exercises, which form a vital part of the exposition.
Author: G. M. Crippen
Publisher: John Wiley & Sons
ISBN:
Category : Conformational analysis
Languages : en
Pages : 564
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Book Description
