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

In this thesis we explore and extend the theory of persistent homology, which captures topological features of a function by pairing its critical values. The result is represented by a collection of points in the extended plane called persistence diagram. 
We start with the question of ridding the function of topological noise as suggested by its persistence diagram. We give an algorithm for hierarchically finding such e-simplifications on 2-manifolds as well as answer the question of when it is impossible to simplify a function in higher dimensions. We continue by examining time-varying functions. The original algorithm computes the persistence pairing from an ordering of the simplices in a triangulation and takes worst-case time cubic in the number of simplices. We describe how to maintain the pairing in linear time per transposition of consecutive simplices. A side effect of the update algorithm is an elementary proof of the stability of persistence diagrams. We introduce a parametrized family of persistence diagrams called persistence vineyards and illustrate the concept with a vineyard describing a folding of a small peptide. We also base a simple algorithm to compute the rank invariant of a collection of functions on the update procedure. 
Guided by the desire to reconstruct stratified spaces from noisy samples, we use the vineyard of the distance function restricted to a 1-parameter family of neighborhoods of a point to assess the local homology of a sampled stratified space at that point. We prove the correctness of this assessment under the assumption of a sufficiently dense sample. We also give an algorithm that constructs the vineyard and makes the local assessment in time at most cubic in the size of the Delaunay triangulation of the point sample. 
Finally, to refine the measurement of local homology the thesis extends the notion of persistent homology to sequences of kernels, images, and cokernels of maps induced by inclusions in a filtration of pairs of spaces. Specifically, we note that persistence in this context is well defined, we prove that the persistence diagrams are stable, and we explain how to compute them. Additionally, we use image persistence to cope with functions on noisy domains.

Homological illusions of persistence and stability

Lines in space - combinatorics, algorithms and applications

Protein-protein interactions, which form the basis for most cellular processes, result in the formation of protein interfaces. Believing that the local shape of proteins is crucial, we take a geometric approach and present a definition of an interface surface formed by two or more proteins. We also present an algorithm and study the geometric and topological properties of these surfaces, thus paving the way for future biochemical studies of protein-protein interactions.

Interface surfaces for protein-protein complexes

An X-ray probe through a polygon measures the length of intersection between a line and the polygon. This paper considers the properties of various classes of X-ray probes, and shows how they interact to give finite strategies for completely describing convex n-gons. It is shown that $({{3n} / 2}) + 6$ probes are sufficient to verify a specified n-gon, while for determining convex polygons ${{(3n - 1)} / 2}$ X-ray probes are necessary and $5n + O(1)$ sufficient, with $3n + O(1)$ sufficient given that a lower bound on the size of the smallest edge of P is known.

Probing convex polygons with X-rays

A plane geometric graph C in R2conforms to another such graph G if each edge of G is the union of some edges of C. It is proved that for every G with n vertices and m edges, there is a completion of a Delaunay triangulation of O(m2n) points that conforms to G. The algorithm that constructs the points is also described.

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Herbert Edelsbrunner

Papers

Homological illusions of persistence and stability

Lines in space - combinatorics, algorithms and applications

Interface surfaces for protein-protein complexes

Probing convex polygons with X-rays

An upper bound for conforming Delaunay triangulations