Topological descriptors for 3D surface analysis

We investigate topological descriptors for 3D surface analysis, i.e. the classification of surfaces according to their geometric fine structure. On a dataset of high-resolution 3D surface reconstructions we compute persistence diagrams for a 2D cubical filtration. In the next step we investigate different topological descriptors and measure their ability to discriminate structurally different 3D surface patches. We evaluate their sensitivity to different parameters and compare the performance of the resulting topological descriptors to alternative (non-topological) descriptors. We present a comprehensive evaluation that shows that topological descriptors are (i) robust, (ii) yield state-of-the-art performance for the task of 3D surface analysis and (iii) improve classification performance when combined with non-topological descriptors.Comment: 12 pages, 3 figures, CTIC 201

Algebraic Topology

The chapter provides an introduction to the basic concepts of Algebraic Topology with an emphasis on motivation from applications in the physical sciences. It finishes with a brief review of computational work in algebraic topology, including persistent homology.Comment: This manuscript will be published as Chapter 5 in Wiley's textbook \emph{Mathematical Tools for Physicists}, 2nd edition, edited by Michael Grinfeld from the University of Strathclyd

Positive Alexander Duality for Pursuit and Evasion

Considered is a class of pursuit-evasion games, in which an evader tries to avoid detection. Such games can be formulated as the search for sections to the complement of a coverage region in a Euclidean space over a timeline. Prior results give homological criteria for evasion in the general case that are not necessary and sufficient. This paper provides a necessary and sufficient positive cohomological criterion for evasion in a general case. The principal tools are (1) a refinement of the Cech cohomology of a coverage region with a positive cone encoding spatial orientation, (2) a refinement of the Borel-Moore homology of the coverage gaps with a positive cone encoding time orientation, and (3) a positive variant of Alexander Duality. Positive cohomology decomposes as the global sections of a sheaf of local positive cohomology over the time axis; we show how this decomposition makes positive cohomology computable as a linear program.Comment: 19 pages, 6 figures; improvements made throughout: e.g. positive (co)homology generalized to arbitrary degrees; Positive Alexander Duality generalized from homological degrees 0,1; Morse and smoothness conditions generalized; illustrations of positive homology added. minor corrections in proofs, notation, organization, and language made throughout. variant of Borel-Moore homology now use

A topological approach for protein classification

Protein function and dynamics are closely related to its sequence and structure. However prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein classification, which is typically done through measuring the similarity be- tween proteins based on protein sequence or physical information, serves as a crucial step toward the understanding of protein function and dynamics. Persistent homology is a new branch of algebraic topology that has found its success in the topological data analysis in a variety of disciplines, including molecular biology. The present work explores the potential of using persistent homology as an indepen- dent tool for protein classification. To this end, we propose a molecular topological fingerprint based support vector machine (MTF-SVM) classifier. Specifically, we construct machine learning feature vectors solely from protein topological fingerprints, which are topological invariants generated during the filtration process. To validate the present MTF-SVM approach, we consider four types of problems. First, we study protein-drug binding by using the M2 channel protein of influenza A virus. We achieve 96% accuracy in discriminating drug bound and unbound M2 channels. Additionally, we examine the use of MTF-SVM for the classification of hemoglobin molecules in their relaxed and taut forms and obtain about 80% accuracy. The identification of all alpha, all beta, and alpha-beta protein domains is carried out in our next study using 900 proteins. We have found a 85% success in this identifica- tion. Finally, we apply the present technique to 55 classification tasks of protein superfamilies over 1357 samples. An average accuracy of 82% is attained. The present study establishes computational topology as an independent and effective alternative for protein classification