@inbook{84,
abstract = {The advent of high-throughput technologies and the concurrent advances in information sciences have led to a data revolution in biology. This revolution is most significant in molecular biology, with an increase in the number and scale of the “omics” projects over the last decade. Genomics projects, for example, have produced impressive advances in our knowledge of the information concealed into genomes, from the many genes that encode for the proteins that are responsible for most if not all cellular functions, to the noncoding regions that are now known to provide regulatory functions. Proteomics initiatives help to decipher the role of post-translation modifications on the protein structures and provide maps of protein-protein interactions, while functional genomics is the field that attempts to make use of the data produced by these projects to understand protein functions. The biggest challenge today is to assimilate the wealth of information provided by these initiatives into a conceptual framework that will help us decipher life. For example, the current views of the relationship between protein structure and function remain fragmented. We know of their sequences, more and more about their structures, we have information on their biological activities, but we have difficulties connecting this dotted line into an informed whole. We lack the experimental and computational tools for directly studying protein structure, function, and dynamics at the molecular and supra-molecular levels. In this chapter, we review some of the current developments in building the computational tools that are needed, focusing on the role that geometry and topology play in these efforts. One of our goals is to raise the general awareness about the importance of geometric methods in elucidating the mysterious foundations of our very existence. Another goal is the broadening of what we consider a geometric algorithm. There is plenty of valuable no-man’s-land between combinatorial and numerical algorithms, and it seems opportune to explore this land with a computational-geometric frame of mind.},
author = {Edelsbrunner, Herbert and Koehl, Patrice},
booktitle = {Handbook of Discrete and Computational Geometry, Third Edition},
editor = {Toth, Csaba and O'Rourke, Joseph and Goodman, Jacob},
pages = {1709 -- 1735},
publisher = {CRC Press},
title = {{Computational topology for structural molecular biology}},
doi = {10.1201/9781315119601},
year = {2017},
}
@inproceedings{1237,
abstract = {Bitmap images of arbitrary dimension may be formally perceived as unions of m-dimensional boxes aligned with respect to a rectangular grid in ℝm. Cohomology and homology groups are well known topological invariants of such sets. Cohomological operations, such as the cup product, provide higher-order algebraic topological invariants, especially important for digital images of dimension higher than 3. If such an operation is determined at the level of simplicial chains [see e.g. González-Díaz, Real, Homology, Homotopy Appl, 2003, 83-93], then it is effectively computable. However, decomposing a cubical complex into a simplicial one deleteriously affects the efficiency of such an approach. In order to avoid this overhead, a direct cubical approach was applied in [Pilarczyk, Real, Adv. Comput. Math., 2015, 253-275] for the cup product in cohomology, and implemented in the ChainCon software package [http://www.pawelpilarczyk.com/chaincon/]. We establish a formula for the Steenrod square operations [see Steenrod, Annals of Mathematics. Second Series, 1947, 290-320] directly at the level of cubical chains, and we prove the correctness of this formula. An implementation of this formula is programmed in C++ within the ChainCon software framework. We provide a few examples and discuss the effectiveness of this approach. One specific application follows from the fact that Steenrod squares yield tests for the topological extension problem: Can a given map A → Sd to a sphere Sd be extended to a given super-complex X of A? In particular, the ROB-SAT problem, which is to decide for a given function f: X → ℝm and a value r > 0 whether every g: X → ℝm with ∥g - f ∥∞ ≤ r has a root, reduces to the extension problem.},
author = {Krcál, Marek and Pilarczyk, Pawel},
location = {Marseille, France},
pages = {140 -- 151},
publisher = {Springer},
title = {{Computation of cubical Steenrod squares}},
doi = {10.1007/978-3-319-39441-1_13},
volume = {9667},
year = {2016},
}
@article{1408,
abstract = {The concept of well group in a special but important case captures homological properties of the zero set of a continuous map (Formula presented.) on a compact space K that are invariant with respect to perturbations of f. The perturbations are arbitrary continuous maps within (Formula presented.) distance r from f for a given (Formula presented.). The main drawback of the approach is that the computability of well groups was shown only when (Formula presented.) or (Formula presented.). Our contribution to the theory of well groups is twofold: on the one hand we improve on the computability issue, but on the other hand we present a range of examples where the well groups are incomplete invariants, that is, fail to capture certain important robust properties of the zero set. For the first part, we identify a computable subgroup of the well group that is obtained by cap product with the pullback of the orientation of (Formula presented.) by f. In other words, well groups can be algorithmically approximated from below. When f is smooth and (Formula presented.), our approximation of the (Formula presented.)th well group is exact. For the second part, we find examples of maps (Formula presented.) with all well groups isomorphic but whose perturbations have different zero sets. We discuss on a possible replacement of the well groups of vector valued maps by an invariant of a better descriptive power and computability status.},
author = {Franek, Peter and Krcál, Marek},
journal = {Discrete & Computational Geometry},
number = {1},
pages = {126 -- 164},
publisher = {Springer},
title = {{On computability and triviality of well groups}},
doi = {10.1007/s00454-016-9794-2},
volume = {56},
year = {2016},
}
@article{1617,
abstract = {We study the discrepancy of jittered sampling sets: such a set P⊂ [0,1]d is generated for fixed m∈ℕ by partitioning [0,1]d into md axis aligned cubes of equal measure and placing a random point inside each of the N=md cubes. We prove that, for N sufficiently large, 1/10 d/N1/2+1/2d ≤EDN∗(P)≤ √d(log N) 1/2/N1/2+1/2d, where the upper bound with an unspecified constant Cd was proven earlier by Beck. Our proof makes crucial use of the sharp Dvoretzky-Kiefer-Wolfowitz inequality and a suitably taylored Bernstein inequality; we have reasons to believe that the upper bound has the sharp scaling in N. Additional heuristics suggest that jittered sampling should be able to improve known bounds on the inverse of the star-discrepancy in the regime N≳dd. We also prove a partition principle showing that every partition of [0,1]d combined with a jittered sampling construction gives rise to a set whose expected squared L2-discrepancy is smaller than that of purely random points.},
author = {Pausinger, Florian and Steinerberger, Stefan},
journal = {Journal of Complexity},
pages = {199 -- 216},
publisher = {Academic Press},
title = {{On the discrepancy of jittered sampling}},
doi = {10.1016/j.jco.2015.11.003},
volume = {33},
year = {2016},
}
@article{1662,
abstract = {We introduce a modification of the classic notion of intrinsic volume using persistence moments of height functions. Evaluating the modified first intrinsic volume on digital approximations of a compact body with smoothly embedded boundary in Rn, we prove convergence to the first intrinsic volume of the body as the resolution of the approximation improves. We have weaker results for the other modified intrinsic volumes, proving they converge to the corresponding intrinsic volumes of the n-dimensional unit ball.},
author = {Edelsbrunner, Herbert and Pausinger, Florian},
journal = {Advances in Mathematics},
pages = {674 -- 703},
publisher = {Academic Press},
title = {{Approximation and convergence of the intrinsic volume}},
doi = {10.1016/j.aim.2015.10.004},
volume = {287},
year = {2016},
}
@article{1149,
abstract = {We study the usefulness of two most prominent publicly available rigorous ODE integrators: one provided by the CAPD group (capd.ii.uj.edu.pl), the other based on the COSY Infinity project (cosyinfinity.org). Both integrators are capable of handling entire sets of initial conditions and provide tight rigorous outer enclosures of the images under a time-T map. We conduct extensive benchmark computations using the well-known Lorenz system, and compare the computation time against the final accuracy achieved. We also discuss the effect of a few technical parameters, such as the order of the numerical integration method, the value of T, and the phase space resolution. We conclude that COSY may provide more precise results due to its ability of avoiding the variable dependency problem. However, the overall cost of computations conducted using CAPD is typically lower, especially when intervals of parameters are involved. Moreover, access to COSY is limited (registration required) and the rigorous ODE integrators are not publicly available, while CAPD is an open source free software project. Therefore, we recommend the latter integrator for this kind of computations. Nevertheless, proper choice of the various integration parameters turns out to be of even greater importance than the choice of the integrator itself. © 2016 IMACS. Published by Elsevier B.V. All rights reserved.},
author = {Miyaji, Tomoyuki and Pilarczyk, Pawel and Gameiro, Marcio and Kokubu, Hiroshi and Mischaikow, Konstantin},
journal = {Applied Numerical Mathematics},
pages = {34 -- 47},
publisher = {Elsevier},
title = {{A study of rigorous ODE integrators for multi scale set oriented computations}},
doi = {10.1016/j.apnum.2016.04.005},
volume = {107},
year = {2016},
}
@article{1360,
abstract = {We apply the technique of Károly Bezdek and Daniel Bezdek to study billiard trajectories in convex bodies, when the length is measured with a (possibly asymmetric) norm. We prove a lower bound for the length of the shortest closed billiard trajectory, related to the non-symmetric Mahler problem. With this technique we are able to give short and elementary proofs to some known results. },
author = {Akopyan, Arseniy and Balitskiy, Alexey and Karasev, Roman and Sharipova, Anastasia},
journal = {Proceedings of the American Mathematical Society},
number = {10},
pages = {4501 -- 4513},
publisher = {American Mathematical Society},
title = {{Elementary approach to closed billiard trajectories in asymmetric normed spaces}},
doi = {10.1090/proc/13062 },
volume = {144},
year = {2016},
}
@article{1295,
abstract = {Voronoi diagrams and Delaunay triangulations have been extensively used to represent and compute geometric features of point configurations. We introduce a generalization to poset diagrams and poset complexes, which contain order-k and degree-k Voronoi diagrams and their duals as special cases. Extending a result of Aurenhammer from 1990, we show how to construct poset diagrams as weighted Voronoi diagrams of average balls.},
author = {Edelsbrunner, Herbert and Iglesias Ham, Mabel},
journal = {Electronic Notes in Discrete Mathematics},
pages = {169 -- 174},
publisher = {Elsevier},
title = {{Multiple covers with balls II: Weighted averages}},
doi = {10.1016/j.endm.2016.09.030},
volume = {54},
year = {2016},
}
@article{1252,
abstract = {We study the homomorphism induced in homology by a closed correspondence between topological spaces, using projections from the graph of the correspondence to its domain and codomain. We provide assumptions under which the homomorphism induced by an outer approximation of a continuous map coincides with the homomorphism induced in homology by the map. In contrast to more classical results we do not require that the projection to the domain have acyclic preimages. Moreover, we show that it is possible to retrieve correct homological information from a correspondence even if some data is missing or perturbed. Finally, we describe an application to combinatorial maps that are either outer approximations of continuous maps or reconstructions of such maps from a finite set of data points.},
author = {Harker, Shaun and Kokubu, Hiroshi and Mischaikow, Konstantin and Pilarczyk, Pawel},
journal = {Proceedings of the American Mathematical Society},
number = {4},
pages = {1787 -- 1801},
publisher = {American Mathematical Society},
title = {{Inducing a map on homology from a correspondence}},
doi = {10.1090/proc/12812},
volume = {144},
year = {2016},
}
@article{1222,
abstract = {We consider packings of congruent circles on a square flat torus, i.e., periodic (w.r.t. a square lattice) planar circle packings, with the maximal circle radius. This problem is interesting due to a practical reason—the problem of “super resolution of images.” We have found optimal arrangements for N=6, 7 and 8 circles. Surprisingly, for the case N=7 there are three different optimal arrangements. Our proof is based on a computer enumeration of toroidal irreducible contact graphs.},
author = {Musin, Oleg and Nikitenko, Anton},
journal = {Discrete & Computational Geometry},
number = {1},
pages = {1 -- 20},
publisher = {Springer},
title = {{Optimal packings of congruent circles on a square flat torus}},
doi = {10.1007/s00454-015-9742-6},
volume = {55},
year = {2016},
}
@article{1272,
abstract = {We study different means to extend offsetting based on skeletal structures beyond the well-known constant-radius and mitered offsets supported by Voronoi diagrams and straight skeletons, for which the orthogonal distance of offset elements to their respective input elements is constant and uniform over all input elements. Our main contribution is a new geometric structure, called variable-radius Voronoi diagram, which supports the computation of variable-radius offsets, i.e., offsets whose distance to the input is allowed to vary along the input. We discuss properties of this structure and sketch a prototype implementation that supports the computation of variable-radius offsets based on this new variant of Voronoi diagrams.},
author = {Held, Martin and Huber, Stefan and Palfrader, Peter},
journal = {Computer-Aided Design and Applications},
number = {5},
pages = {712 -- 721},
publisher = {Taylor and Francis},
title = {{Generalized offsetting of planar structures using skeletons}},
doi = {10.1080/16864360.2016.1150718},
volume = {13},
year = {2016},
}
@article{1330,
abstract = {In this paper we investigate the existence of closed billiard trajectories in not necessarily smooth convex bodies. In particular, we show that if a body K ⊂ Rd has the property that the tangent cone of every non-smooth point q ∉ ∂K is acute (in a certain sense), then there is a closed billiard trajectory in K.},
author = {Akopyan, Arseniy and Balitskiy, Alexey},
journal = {Israel Journal of Mathematics},
number = {2},
pages = {833 -- 845},
publisher = {Springer},
title = {{Billiards in convex bodies with acute angles}},
doi = {10.1007/s11856-016-1429-z},
volume = {216},
year = {2016},
}
@article{1289,
abstract = {Aiming at the automatic diagnosis of tumors using narrow band imaging (NBI) magnifying endoscopic (ME) images of the stomach, we combine methods from image processing, topology, geometry, and machine learning to classify patterns into three classes: oval, tubular and irregular. Training the algorithm on a small number of images of each type, we achieve a high rate of correct classifications. The analysis of the learning algorithm reveals that a handful of geometric and topological features are responsible for the overwhelming majority of decisions.},
author = {Dunaeva, Olga and Edelsbrunner, Herbert and Lukyanov, Anton and Machin, Michael and Malkova, Daria and Kuvaev, Roman and Kashin, Sergey},
journal = {Pattern Recognition Letters},
number = {1},
pages = {13 -- 22},
publisher = {Elsevier},
title = {{The classification of endoscopy images with persistent homology}},
doi = {10.1016/j.patrec.2015.12.012},
volume = {83},
year = {2016},
}
@article{1254,
abstract = {We use rigorous numerical techniques to compute a lower bound for the exponent of expansivity outside a neighborhood of the critical point for thousands of intervals of parameter values in the quadratic family. We first compute a radius of the critical neighborhood outside which the map is uniformly expanding. This radius is taken as small as possible, yet large enough for our numerical procedure to succeed in proving that the expansivity exponent outside this neighborhood is positive. Then, for each of the intervals, we compute a lower bound for this expansivity exponent, valid for all the parameters in that interval. We illustrate and study the distribution of the radii and the expansivity exponents. The results of our computations are mathematically rigorous. The source code of the software and the results of the computations are made publicly available at http://www.pawelpilarczyk.com/quadratic/.},
author = {Golmakani, Ali and Luzzatto, Stefano and Pilarczyk, Pawel},
journal = {Experimental Mathematics},
number = {2},
pages = {116 -- 124},
publisher = {Taylor and Francis},
title = {{Uniform expansivity outside a critical neighborhood in the quadratic family}},
doi = {10.1080/10586458.2015.1048011},
volume = {25},
year = {2016},
}
@article{1216,
abstract = {A framework fo r extracting features in 2D transient flows, based on the acceleration field to ensure Galilean invariance is proposed in this paper. The minima of the acceleration magnitude (a superset of acceleration zeros) are extracted and discriminated into vortices and saddle points, based on the spectral properties of the velocity Jacobian. The extraction of topological features is performed with purely combinatorial algorithms from discrete computational topology. The feature points are prioritized with persistence, as a physically meaningful importance measure. These feature points are tracked in time with a robust algorithm for tracking features. Thus, a space-time hierarchy of the minima is built and vortex merging events are detected. We apply the acceleration feature extraction strategy to three two-dimensional shear flows: (1) an incompressible periodic cylinder wake, (2) an incompressible planar mixing layer and (3) a weakly compressible planar jet. The vortex-like acceleration feature points are shown to be well aligned with acceleration zeros, maxima of the vorticity magnitude, minima of the pressure field and minima of λ2.},
author = {Kasten, Jens and Reininghaus, Jan and Hotz, Ingrid and Hege, Hans and Noack, Bernd and Daviller, Guillaume and Morzyński, Marek},
journal = {Archives of Mechanics},
number = {1},
pages = {55 -- 80},
publisher = {Polish Academy of Sciences Publishing House},
title = {{Acceleration feature points of unsteady shear flows}},
volume = {68},
year = {2016},
}
@article{1292,
abstract = {We give explicit formulas and algorithms for the computation of the Thurston–Bennequin invariant of a nullhomologous Legendrian knot on a page of a contact open book and on Heegaard surfaces in convex position. Furthermore, we extend the results to rationally nullhomologous knots in arbitrary 3-manifolds.},
author = {Durst, Sebastian and Kegel, Marc and Klukas, Mirko D},
journal = {Acta Mathematica Hungarica},
number = {2},
pages = {441 -- 455},
publisher = {Springer},
title = {{Computing the Thurston–Bennequin invariant in open books}},
doi = {10.1007/s10474-016-0648-4},
volume = {150},
year = {2016},
}
@inproceedings{1483,
abstract = {Topological data analysis offers a rich source of valuable information to study vision problems. Yet, so far we lack a theoretically sound connection to popular kernel-based learning techniques, such as kernel SVMs or kernel PCA. In this work, we establish such a connection by designing a multi-scale kernel for persistence diagrams, a stable summary representation of topological features in data. We show that this kernel is positive definite and prove its stability with respect to the 1-Wasserstein distance. Experiments on two benchmark datasets for 3D shape classification/retrieval and texture recognition show considerable performance gains of the proposed method compared to an alternative approach that is based on the recently introduced persistence landscapes.},
author = {Reininghaus, Jan and Huber, Stefan and Bauer, Ulrich and Kwitt, Roland},
location = {Boston, MA, USA},
pages = {4741 -- 4748},
publisher = {IEEE},
title = {{A stable multi-scale kernel for topological machine learning}},
doi = {10.1109/CVPR.2015.7299106},
year = {2015},
}
@inproceedings{1495,
abstract = {Motivated by biological questions, we study configurations of equal-sized disks in the Euclidean plane that neither pack nor cover. Measuring the quality by the probability that a random point lies in exactly one disk, we show that the regular hexagonal grid gives the maximum among lattice configurations. },
author = {Edelsbrunner, Herbert and Iglesias Ham, Mabel and Kurlin, Vitaliy},
booktitle = {Proceedings of the 27th Canadian Conference on Computational Geometry},
location = {Ontario, Canada},
pages = {128--135},
title = {{Relaxed disk packing}},
year = {2015},
}
@article{1584,
abstract = {We investigate weighted straight skeletons from a geometric, graph-theoretical, and combinatorial point of view. We start with a thorough definition and shed light on some ambiguity issues in the procedural definition. We investigate the geometry, combinatorics, and topology of faces and the roof model, and we discuss in which cases a weighted straight skeleton is connected. Finally, we show that the weighted straight skeleton of even a simple polygon may be non-planar and may contain cycles, and we discuss under which restrictions on the weights and/or the input polygon the weighted straight skeleton still behaves similar to its unweighted counterpart. In particular, we obtain a non-procedural description and a linear-time construction algorithm for the straight skeleton of strictly convex polygons with arbitrary weights.},
author = {Biedl, Therese and Held, Martin and Huber, Stefan and Kaaser, Dominik and Palfrader, Peter},
journal = {Computational Geometry: Theory and Applications},
number = {5},
pages = {429 -- 442},
publisher = {Elsevier},
title = {{Reprint of: Weighted straight skeletons in the plane}},
doi = {10.1016/j.comgeo.2015.01.004},
volume = {48},
year = {2015},
}
@inproceedings{1510,
abstract = {The concept of well group in a special but important case captures homological properties of the zero set of a continuous map f from K to R^n on a compact space K that are invariant with respect to perturbations of f. The perturbations are arbitrary continuous maps within L_infty distance r from f for a given r > 0. The main drawback of the approach is that the computability of well groups was shown only when dim K = n or n = 1. Our contribution to the theory of well groups is twofold: on the one hand we improve on the computability issue, but on the other hand we present a range of examples where the well groups are incomplete invariants, that is, fail to capture certain important robust properties of the zero set. For the first part, we identify a computable subgroup of the well group that is obtained by cap product with the pullback of the orientation of R^n by f. In other words, well groups can be algorithmically approximated from below. When f is smooth and dim K < 2n-2, our approximation of the (dim K-n)th well group is exact. For the second part, we find examples of maps f, f' from K to R^n with all well groups isomorphic but whose perturbations have different zero sets. We discuss on a possible replacement of the well groups of vector valued maps by an invariant of a better descriptive power and computability status. },
author = {Franek, Peter and Krcál, Marek},
location = {Eindhoven, Netherlands},
pages = {842 -- 856},
publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik},
title = {{On computability and triviality of well groups}},
doi = {10.4230/LIPIcs.SOCG.2015.842},
volume = {34},
year = {2015},
}