The Protein Data Bank (PDB; http://www.rcsb.org/pdb/ ) is the single worldwide archive of structural data of biological macromolecules. This paper describes the goals of the PDB, the systems in place for data deposition and access, how to obtain further information, and near-term plans for the future development of the resource.

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The Protein Data Bank

The increasing volume of data in modern business and science calls for more complex and sophisticated tools. Although advances in data mining technology have made extensive data collection much easier, it's still always evolving and there is a constant need for new techniques and tools that can help us transform this data into useful information and knowledge. Since the previous edition's publication, great advances have been made in the field of data mining. Not only does the third of edition of Data Mining: Concepts and Techniques continue the tradition of equipping you with an understanding and application of the theory and practice of discovering patterns hidden in large data sets, it also focuses on new, important topics in the field: data warehouses and data cube technology, mining stream, mining social networks, and mining spatial, multimedia and other complex data. Each chapter is a stand-alone guide to a critical topic, presenting proven algorithms and sound implementations ready to be used directly or with strategic modification against live data. This is the resource you need if you want to apply today's most powerful data mining techniques to meet real business challenges. * Presents dozens of algorithms and implementation examples, all in pseudo-code and suitable for use in real-world, large-scale data mining projects. * Addresses advanced topics such as mining object-relational databases, spatial databases, multimedia databases, time-series databases, text databases, the World Wide Web, and applications in several fields. *Provides a comprehensive, practical look at the concepts and techniques you need to get the most out of real business data

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Data Mining: Concepts and Techniques

Data Mining: Practical Machine Learning Tools and Techniques offers a thorough grounding in machine learning concepts as well as practical advice on applying machine learning tools and techniques in real-world data mining situations. This highly anticipated third edition of the most acclaimed work on data mining and machine learning will teach you everything you need to know about preparing inputs, interpreting outputs, evaluating results, and the algorithmic methods at the heart of successful data mining. Thorough updates reflect the technical changes and modernizations that have taken place in the field since the last edition, including new material on Data Transformations, Ensemble Learning, Massive Data Sets, Multi-instance Learning, plus a new version of the popular Weka machine learning software developed by the authors. Witten, Frank, and Hall include both tried-and-true techniques of today as well as methods at the leading edge of contemporary research. *Provides a thorough grounding in machine learning concepts as well as practical advice on applying the tools and techniques to your data mining projects *Offers concrete tips and techniques for performance improvement that work by transforming the input or output in machine learning methods *Includes downloadable Weka software toolkit, a collection of machine learning algorithms for data mining tasks-in an updated, interactive interface. Algorithms in toolkit cover: data pre-processing, classification, regression, clustering, association rules, visualization

Data Mining: Practical Machine Learning Tools and Techniques

Planning algorithms are impacting technical disciplines and industries around the world, including robotics, computer-aided design, manufacturing, computer graphics, aerospace applications, drug design, and protein folding. This coherent and comprehensive book unifies material from several sources, including robotics, control theory, artificial intelligence, and algorithms. The treatment is centered on robot motion planning but integrates material on planning in discrete spaces. A major part of the book is devoted to planning under uncertainty, including decision theory, Markov decision processes, and information spaces, which are the “configuration spaces” of all sensor-based planning problems. The last part of the book delves into planning under differential constraints that arise when automating the motions of virtually any mechanical system. Developed from courses taught by the author, the book is intended for students, engineers, and researchers in robotics, artificial intelligence, and control theory as well as computer graphics, algorithms, and computational biology.

Planning Algorithms: Introductory Material

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Convex Analysisの二,三の進展について

Let B be a finite pseudodisk collection in the plane. By the principle of inclusion-exclusion, the area or any other measure of the union is $$\mu \left( { \cup B} \right) = \sum\limits_{\sigma \in 2^B - \left\{ {\not 0} \right\}} {( - 1)^{card \sigma - 1} \mu \left( { \cap \sigma } \right)} .$$ .

We show the existence of a two-dimensional abstract simplicial complex, ź ⊆ 2B, so the above relation holds even if ź is substituted for 2B. In addition, ź can be embedded in ź2 so its underlying space is homotopy equivalent to int ź B, and the frontier of ź is isomorphic to the nerve of the set of boundary contributions.

Inclusion-exclusion complexes for pseudodisk collections

We define the Morse complex of a Morse function over a 3manifold as the overlay of the stable and unstable manifolds of all critical points. In the generic case, its 3-dimensional cells are shaped like crystals and are separated by quadrangular faces. In this paper, we give a combinatorial algorithm for constructing such complexes for piecewise linear data.

Morse Complexes for Piecewise Linear 3-Manifolds

Using inclusion-exclusion, we can write the indicator function of a union of finitely many balls as an alternating sum of indicator functions of common intersections of balls. We exhibit abstract simplicial complexes that correspond to minimal inclusion-exclusion formulas. They include the dual complex, as defined in [3], and are characterized by the independence of their simplices and by geometric realizations with the same underlying space as the dual complex.

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Inclusion-Exclusion Formulas from Independent Complexes

Given a finite set in a metric space, the topological analysis generalizes hierarchical clustering using a 1-parameter family of homology groups to quantify connectivity in all dimensions. The connectivity is compactly described by the persistence diagram. One limitation of the current framework is the reliance on metric distances, whereas in many practical applications objects are compared by non-metric dissimilarity measures. Examples are the Kullback-Leibler divergence, which is commonly used for comparing text and images, and the Itakura-Saito divergence, popular for speech and sound. These are two members of the broad family of dissimilarities called Bregman divergences. 
We show that the framework of topological data analysis can be extended to general Bregman divergences, widening the scope of possible applications. In particular, we prove that appropriately generalized Cech and Delaunay (alpha) complexes capture the correct homotopy type, namely that of the corresponding union of Bregman balls. Consequently, their filtrations give the correct persistence diagram, namely the one generated by the uniformly growing Bregman balls. Moreover, we show that unlike the metric setting, the filtration of Vietoris-Rips complexes may fail to approximate the persistence diagram. We propose algorithms to compute the thus generalized Cech, Vietoris-Rips and Delaunay complexes and experimentally test their efficiency. Lastly, we explain their surprisingly good performance by making a connection with discrete Morse theory.

Topological Data Analysis with Bregman Divergences

Shape deformation refers to the continuous change of one geometric object to another. We develop a software tool for planning, analyzing and visualizing deformations between two shapes in R^2. The deformation is generated automatically without any user intervention or specification of feature correspondences. A unique property of the tool is the explicit availability of a two-dimensional shape space, which can be used for designing the deformation either automatically by following constraints and objectives or manually by drawing deformation paths.

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Herbert Edelsbrunner

Papers

Inclusion-exclusion complexes for pseudodisk collections

Morse Complexes for Piecewise Linear 3-Manifolds

Inclusion-Exclusion Formulas from Independent Complexes

Topological Data Analysis with Bregman Divergences

Design and analysis of planar shape deformation