@article{14345, abstract = {For a locally finite set in R2, the order-k Brillouin tessellations form an infinite sequence of convex face-to-face tilings of the plane. If the set is coarsely dense and generic, then the corresponding infinite sequences of minimum and maximum angles are both monotonic in k. As an example, a stationary Poisson point process in R2 is locally finite, coarsely dense, and generic with probability one. For such a set, the distributions of angles in the Voronoi tessellations, Delaunay mosaics, and Brillouin tessellations are independent of the order and can be derived from the formula for angles in order-1 Delaunay mosaics given by Miles (Math. Biosci. 6, 85–127 (1970)).}, author = {Edelsbrunner, Herbert and Garber, Alexey and Ghafari, Mohadese and Heiss, Teresa and Saghafian, Morteza}, issn = {1432-0444}, journal = {Discrete and Computational Geometry}, publisher = {Springer Nature}, title = {{On angles in higher order Brillouin tessellations and related tilings in the plane}}, doi = {10.1007/s00454-023-00566-1}, year = {2023}, } @article{13134, abstract = {We propose a characterization of discrete analytical spheres, planes and lines in the body-centered cubic (BCC) grid, both in the Cartesian and in the recently proposed alternative compact coordinate system, in which each integer triplet addresses some voxel in the grid. We define spheres and planes through double Diophantine inequalities and investigate their relevant topological features, such as functionality or the interrelation between the thickness of the objects and their connectivity and separation properties. We define lines as the intersection of planes. The number of the planes (up to six) is equal to the number of the pairs of faces of a BCC voxel that are parallel to the line.}, author = {Čomić, Lidija and Largeteau-Skapin, Gaëlle and Zrour, Rita and Biswas, Ranita and Andres, Eric}, issn = {0031-3203}, journal = {Pattern Recognition}, number = {10}, publisher = {Elsevier}, title = {{Discrete analytical objects in the body-centered cubic grid}}, doi = {10.1016/j.patcog.2023.109693}, volume = {142}, year = {2023}, } @article{12086, abstract = {We present a simple algorithm for computing higher-order Delaunay mosaics that works in Euclidean spaces of any finite dimensions. The algorithm selects the vertices of the order-k mosaic from incrementally constructed lower-order mosaics and uses an algorithm for weighted first-order Delaunay mosaics as a black-box to construct the order-k mosaic from its vertices. Beyond this black-box, the algorithm uses only combinatorial operations, thus facilitating easy implementation. We extend this algorithm to compute higher-order α-shapes and provide open-source implementations. We present experimental results for properties of higher-order Delaunay mosaics of random point sets.}, author = {Edelsbrunner, Herbert and Osang, Georg F}, issn = {1432-0541}, journal = {Algorithmica}, pages = {277--295}, publisher = {Springer Nature}, title = {{A simple algorithm for higher-order Delaunay mosaics and alpha shapes}}, doi = {10.1007/s00453-022-01027-6}, volume = {85}, year = {2023}, } @article{12544, abstract = {Geometry is crucial in our efforts to comprehend the structures and dynamics of biomolecules. For example, volume, surface area, and integrated mean and Gaussian curvature of the union of balls representing a molecule are used to quantify its interactions with the water surrounding it in the morphometric implicit solvent models. The Alpha Shape theory provides an accurate and reliable method for computing these geometric measures. In this paper, we derive homogeneous formulas for the expressions of these measures and their derivatives with respect to the atomic coordinates, and we provide algorithms that implement them into a new software package, AlphaMol. The only variables in these formulas are the interatomic distances, making them insensitive to translations and rotations. AlphaMol includes a sequential algorithm and a parallel algorithm. In the parallel version, we partition the atoms of the molecule of interest into 3D rectangular blocks, using a kd-tree algorithm. We then apply the sequential algorithm of AlphaMol to each block, augmented by a buffer zone to account for atoms whose ball representations may partially cover the block. The current parallel version of AlphaMol leads to a 20-fold speed-up compared to an independent serial implementation when using 32 processors. For instance, it takes 31 s to compute the geometric measures and derivatives of each atom in a viral capsid with more than 26 million atoms on 32 Intel processors running at 2.7 GHz. The presence of the buffer zones, however, leads to redundant computations, which ultimately limit the impact of using multiple processors. AlphaMol is available as an OpenSource software.}, author = {Koehl, Patrice and Akopyan, Arseniy and Edelsbrunner, Herbert}, issn = {1549-960X}, journal = {Journal of Chemical Information and Modeling}, number = {3}, pages = {973--985}, publisher = {American Chemical Society}, title = {{Computing the volume, surface area, mean, and Gaussian curvatures of molecules and their derivatives}}, doi = {10.1021/acs.jcim.2c01346}, volume = {63}, year = {2023}, } @article{11658, abstract = {The depth of a cell in an arrangement of n (non-vertical) great-spheres in Sd is the number of great-spheres that pass above the cell. We prove Euler-type relations, which imply extensions of the classic Dehn–Sommerville relations for convex polytopes to sublevel sets of the depth function, and we use the relations to extend the expressions for the number of faces of neighborly polytopes to the number of cells of levels in neighborly arrangements.}, author = {Biswas, Ranita and Cultrera di Montesano, Sebastiano and Edelsbrunner, Herbert and Saghafian, Morteza}, journal = {Leibniz International Proceedings on Mathematics}, publisher = {Schloss Dagstuhl - Leibniz Zentrum für Informatik}, title = {{Depth in arrangements: Dehn–Sommerville–Euler relations with applications}}, year = {2022}, } @article{11660, abstract = {We characterize critical points of 1-dimensional maps paired in persistent homology geometrically and this way get elementary proofs of theorems about the symmetry of persistence diagrams and the variation of such maps. In particular, we identify branching points and endpoints of networks as the sole source of asymmetry and relate the cycle basis in persistent homology with a version of the stable marriage problem. Our analysis provides the foundations of fast algorithms for maintaining collections of interrelated sorted lists together with their persistence diagrams. }, author = {Biswas, Ranita and Cultrera di Montesano, Sebastiano and Edelsbrunner, Herbert and Saghafian, Morteza}, journal = {LIPIcs}, publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik}, title = {{A window to the persistence of 1D maps. I: Geometric characterization of critical point pairs}}, year = {2022}, } @article{9317, abstract = {Given a locally finite X⊆Rd and a radius r≥0, the k-fold cover of X and r consists of all points in Rd that have k or more points of X within distance r. We consider two filtrations—one in scale obtained by fixing k and increasing r, and the other in depth obtained by fixing r and decreasing k—and we compute the persistence diagrams of both. While standard methods suffice for the filtration in scale, we need novel geometric and topological concepts for the filtration in depth. In particular, we introduce a rhomboid tiling in Rd+1 whose horizontal integer slices are the order-k Delaunay mosaics of X, and construct a zigzag module of Delaunay mosaics that is isomorphic to the persistence module of the multi-covers.}, author = {Edelsbrunner, Herbert and Osang, Georg F}, issn = {1432-0444}, journal = {Discrete and Computational Geometry}, pages = {1296–1313}, publisher = {Springer Nature}, title = {{The multi-cover persistence of Euclidean balls}}, doi = {10.1007/s00454-021-00281-9}, volume = {65}, year = {2021}, } @article{10222, abstract = {Consider a random set of points on the unit sphere in ℝd, which can be either uniformly sampled or a Poisson point process. Its convex hull is a random inscribed polytope, whose boundary approximates the sphere. We focus on the case d = 3, for which there are elementary proofs and fascinating formulas for metric properties. In particular, we study the fraction of acute facets, the expected intrinsic volumes, the total edge length, and the distance to a fixed point. Finally we generalize the results to the ellipsoid with homeoid density.}, author = {Akopyan, Arseniy and Edelsbrunner, Herbert and Nikitenko, Anton}, issn = {1944-950X}, journal = {Experimental Mathematics}, pages = {1--15}, publisher = {Taylor and Francis}, title = {{The beauty of random polytopes inscribed in the 2-sphere}}, doi = {10.1080/10586458.2021.1980459}, year = {2021}, } @inproceedings{9824, abstract = {We define a new compact coordinate system in which each integer triplet addresses a voxel in the BCC grid, and we investigate some of its properties. We propose a characterization of 3D discrete analytical planes with their topological features (in the Cartesian and in the new coordinate system) such as the interrelation between the thickness of the plane and the separability constraint we aim to obtain.}, author = {Čomić, Lidija and Zrour, Rita and Largeteau-Skapin, Gaëlle and Biswas, Ranita and Andres, Eric}, booktitle = {Discrete Geometry and Mathematical Morphology}, isbn = {9783030766566}, issn = {16113349}, location = {Uppsala, Sweden}, pages = {152--163}, publisher = {Springer Nature}, title = {{Body centered cubic grid - coordinate system and discrete analytical plane definition}}, doi = {10.1007/978-3-030-76657-3_10}, volume = {12708}, year = {2021}, } @inproceedings{8135, abstract = {Discrete Morse theory has recently lead to new developments in the theory of random geometric complexes. This article surveys the methods and results obtained with this new approach, and discusses some of its shortcomings. It uses simulations to illustrate the results and to form conjectures, getting numerical estimates for combinatorial, topological, and geometric properties of weighted and unweighted Delaunay mosaics, their dual Voronoi tessellations, and the Alpha and Wrap complexes contained in the mosaics.}, author = {Edelsbrunner, Herbert and Nikitenko, Anton and Ölsböck, Katharina and Synak, Peter}, booktitle = {Topological Data Analysis}, isbn = {9783030434076}, issn = {21978549}, pages = {181--218}, publisher = {Springer Nature}, title = {{Radius functions on Poisson–Delaunay mosaics and related complexes experimentally}}, doi = {10.1007/978-3-030-43408-3_8}, volume = {15}, year = {2020}, } @article{7554, abstract = {Slicing a Voronoi tessellation in ${R}^n$ with a $k$-plane gives a $k$-dimensional weighted Voronoi tessellation, also known as a power diagram or Laguerre tessellation. Mapping every simplex of the dual weighted Delaunay mosaic to the radius of the smallest empty circumscribed sphere whose center lies in the $k$-plane gives a generalized discrete Morse function. Assuming the Voronoi tessellation is generated by a Poisson point process in ${R}^n$, we study the expected number of simplices in the $k$-dimensional weighted Delaunay mosaic as well as the expected number of intervals of the Morse function, both as functions of a radius threshold. As a by-product, we obtain a new proof for the expected number of connected components (clumps) in a line section of a circular Boolean model in ${R}^n$.}, author = {Edelsbrunner, Herbert and Nikitenko, Anton}, issn = {10957219}, journal = {Theory of Probability and its Applications}, number = {4}, pages = {595--614}, publisher = {SIAM}, title = {{Weighted Poisson–Delaunay mosaics}}, doi = {10.1137/S0040585X97T989726}, volume = {64}, year = {2020}, } @article{7666, abstract = {Generalizing the decomposition of a connected planar graph into a tree and a dual tree, we prove a combinatorial analog of the classic Helmholtz–Hodge decomposition of a smooth vector field. Specifically, we show that for every polyhedral complex, K, and every dimension, p, there is a partition of the set of p-cells into a maximal p-tree, a maximal p-cotree, and a collection of p-cells whose cardinality is the p-th reduced Betti number of K. Given an ordering of the p-cells, this tri-partition is unique, and it can be computed by a matrix reduction algorithm that also constructs canonical bases of cycle and boundary groups.}, author = {Edelsbrunner, Herbert and Ölsböck, Katharina}, issn = {14320444}, journal = {Discrete and Computational Geometry}, pages = {759--775}, publisher = {Springer Nature}, title = {{Tri-partitions and bases of an ordered complex}}, doi = {10.1007/s00454-020-00188-x}, volume = {64}, year = {2020}, } @article{9156, abstract = {The morphometric approach [11, 14] writes the solvation free energy as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted Gaussian curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [4], and the weighted mean curvature in [1], this yields the derivative of the morphometric expression of solvation free energy.}, author = {Akopyan, Arseniy and Edelsbrunner, Herbert}, issn = {2544-7297}, journal = {Computational and Mathematical Biophysics}, number = {1}, pages = {74--88}, publisher = {De Gruyter}, title = {{The weighted Gaussian curvature derivative of a space-filling diagram}}, doi = {10.1515/cmb-2020-0101}, volume = {8}, year = {2020}, } @article{9157, abstract = {Representing an atom by a solid sphere in 3-dimensional Euclidean space, we get the space-filling diagram of a molecule by taking the union. Molecular dynamics simulates its motion subject to bonds and other forces, including the solvation free energy. The morphometric approach [12, 17] writes the latter as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted mean curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [3], and the weighted Gaussian curvature [1], this yields the derivative of the morphometric expression of the solvation free energy.}, author = {Akopyan, Arseniy and Edelsbrunner, Herbert}, issn = {2544-7297}, journal = {Computational and Mathematical Biophysics}, number = {1}, pages = {51--67}, publisher = {De Gruyter}, title = {{The weighted mean curvature derivative of a space-filling diagram}}, doi = {10.1515/cmb-2020-0100}, volume = {8}, year = {2020}, } @article{9249, abstract = {Rhombic dodecahedron is a space filling polyhedron which represents the close packing of spheres in 3D space and the Voronoi structures of the face centered cubic (FCC) lattice. In this paper, we describe a new coordinate system where every 3-integer coordinates grid point corresponds to a rhombic dodecahedron centroid. In order to illustrate the interest of the new coordinate system, we propose the characterization of 3D digital plane with its topological features, such as the interrelation between the thickness of the digital plane and the separability constraint we aim to obtain. We also present the characterization of 3D digital lines and study it as the intersection of multiple digital planes. Characterization of 3D digital sphere with relevant topological features is proposed as well along with the 48-symmetry appearing in the new coordinate system.}, author = {Biswas, Ranita and Largeteau-Skapin, Gaëlle and Zrour, Rita and Andres, Eric}, issn = {2353-3390}, journal = {Mathematical Morphology - Theory and Applications}, number = {1}, pages = {143--158}, publisher = {De Gruyter}, title = {{Digital objects in rhombic dodecahedron grid}}, doi = {10.1515/mathm-2020-0106}, volume = {4}, year = {2020}, } @inproceedings{6648, abstract = {Various kinds of data are routinely represented as discrete probability distributions. Examples include text documents summarized by histograms of word occurrences and images represented as histograms of oriented gradients. Viewing a discrete probability distribution as a point in the standard simplex of the appropriate dimension, we can understand collections of such objects in geometric and topological terms. Importantly, instead of using the standard Euclidean distance, we look into dissimilarity measures with information-theoretic justification, and we develop the theory needed for applying topological data analysis in this setting. In doing so, we emphasize constructions that enable the usage of existing computational topology software in this context.}, author = {Edelsbrunner, Herbert and Virk, Ziga and Wagner, Hubert}, booktitle = {35th International Symposium on Computational Geometry}, isbn = {9783959771047}, location = {Portland, OR, United States}, pages = {31:1--31:14}, publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik}, title = {{Topological data analysis in information space}}, doi = {10.4230/LIPICS.SOCG.2019.31}, volume = {129}, year = {2019}, } @article{6756, abstract = {We study the topology generated by the temperature fluctuations of the cosmic microwave background (CMB) radiation, as quantified by the number of components and holes, formally given by the Betti numbers, in the growing excursion sets. We compare CMB maps observed by the Planck satellite with a thousand simulated maps generated according to the ΛCDM paradigm with Gaussian distributed fluctuations. The comparison is multi-scale, being performed on a sequence of degraded maps with mean pixel separation ranging from 0.05 to 7.33°. The survey of the CMB over 𝕊2 is incomplete due to obfuscation effects by bright point sources and other extended foreground objects like our own galaxy. To deal with such situations, where analysis in the presence of “masks” is of importance, we introduce the concept of relative homology. The parametric χ2-test shows differences between observations and simulations, yielding p-values at percent to less than permil levels roughly between 2 and 7°, with the difference in the number of components and holes peaking at more than 3σ sporadically at these scales. The highest observed deviation between the observations and simulations for b0 and b1 is approximately between 3σ and 4σ at scales of 3–7°. There are reports of mildly unusual behaviour of the Euler characteristic at 3.66° in the literature, computed from independent measurements of the CMB temperature fluctuations by Planck’s predecessor, the Wilkinson Microwave Anisotropy Probe (WMAP) satellite. The mildly anomalous behaviour of the Euler characteristic is phenomenologically related to the strongly anomalous behaviour of components and holes, or the zeroth and first Betti numbers, respectively. Further, since these topological descriptors show consistent anomalous behaviour over independent measurements of Planck and WMAP, instrumental and systematic errors may be an unlikely source. These are also the scales at which the observed maps exhibit low variance compared to the simulations, and approximately the range of scales at which the power spectrum exhibits a dip with respect to the theoretical model. Non-parametric tests show even stronger differences at almost all scales. Crucially, Gaussian simulations based on power-spectrum matching the characteristics of the observed dipped power spectrum are not able to resolve the anomaly. Understanding the origin of the anomalies in the CMB, whether cosmological in nature or arising due to late-time effects, is an extremely challenging task. Regardless, beyond the trivial possibility that this may still be a manifestation of an extreme Gaussian case, these observations, along with the super-horizon scales involved, may motivate the study of primordial non-Gaussianity. Alternative scenarios worth exploring may be models with non-trivial topology, including topological defect models.}, author = {Pranav, Pratyush and Adler, Robert J. and Buchert, Thomas and Edelsbrunner, Herbert and Jones, Bernard J.T. and Schwartzman, Armin and Wagner, Hubert and Van De Weygaert, Rien}, issn = {14320746}, journal = {Astronomy and Astrophysics}, publisher = {EDP Sciences}, title = {{Unexpected topology of the temperature fluctuations in the cosmic microwave background}}, doi = {10.1051/0004-6361/201834916}, volume = {627}, year = {2019}, } @article{5678, abstract = {The order-k Voronoi tessellation of a locally finite set 𝑋⊆ℝ𝑛 decomposes ℝ𝑛 into convex domains whose points have the same k nearest neighbors in X. Assuming X is a stationary Poisson point process, we give explicit formulas for the expected number and total area of faces of a given dimension per unit volume of space. We also develop a relaxed version of discrete Morse theory and generalize by counting only faces, for which the k nearest points in X are within a given distance threshold.}, author = {Edelsbrunner, Herbert and Nikitenko, Anton}, issn = {14320444}, journal = {Discrete and Computational Geometry}, number = {4}, pages = {865–878}, publisher = {Springer}, title = {{Poisson–Delaunay Mosaics of Order k}}, doi = {10.1007/s00454-018-0049-2}, volume = {62}, year = {2019}, } @article{6608, abstract = {We use the canonical bases produced by the tri-partition algorithm in (Edelsbrunner and Ölsböck, 2018) to open and close holes in a polyhedral complex, K. In a concrete application, we consider the Delaunay mosaic of a finite set, we let K be an Alpha complex, and we use the persistence diagram of the distance function to guide the hole opening and closing operations. The dependences between the holes define a partial order on the cells in K that characterizes what can and what cannot be constructed using the operations. The relations in this partial order reveal structural information about the underlying filtration of complexes beyond what is expressed by the persistence diagram.}, author = {Edelsbrunner, Herbert and Ölsböck, Katharina}, journal = {Computer Aided Geometric Design}, pages = {1--15}, publisher = {Elsevier}, title = {{Holes and dependences in an ordered complex}}, doi = {10.1016/j.cagd.2019.06.003}, volume = {73}, year = {2019}, } @article{312, abstract = {Motivated by biological questions, we study configurations of equal spheres that neither pack nor cover. Placing their centers on a lattice, we define the soft density of the configuration by penalizing multiple overlaps. Considering the 1-parameter family of diagonally distorted 3-dimensional integer lattices, we show that the soft density is maximized at the FCC lattice.}, author = {Edelsbrunner, Herbert and Iglesias Ham, Mabel}, issn = {08954801}, journal = {SIAM J Discrete Math}, number = {1}, pages = {750 -- 782}, publisher = {Society for Industrial and Applied Mathematics }, title = {{On the optimality of the FCC lattice for soft sphere packing}}, doi = {10.1137/16M1097201}, volume = {32}, year = {2018}, }