Digital images enable quantitative analysis of material properties at micro and macro length scales, but choosing an appropriate resolution when acquiring the image is challenging. A high resolution means longer image acquisition and larger data requirements for a given sample, but if the resolution is too low, significant information may be lost. This paper studies the impact of changes in resolution on persistent homology, a tool from topological data analysis that provides a signature of structure in an image across all length scales. Given prior information about a function, the geometry of an object, or its density distribution at a given resolution, we provide methods to select the coarsest resolution yielding results within an acceptable tolerance. We present numerical case studies for an illustrative synthetic example and samples from porous materials where the theoretical bounds are unknown.

Crystal structures have inspired developments in geometry since the Ancient Greeks conceived of Platonic solids after observing tetrahedral, cubical and octahedral mineral forms in their local environment. The internal structure of crystals became accessible with the development of x-ray diffraction techniques just over 100 years ago, and a key step in developing this method was understanding the arrangement of atoms in the simplest crystals as close-packings of spheres. Determining a crystal structure via x-ray diffraction unavoidably requires prior models, and this has led to the intense study of sphere packing, atom-bond networks, and arrangements of polyhedra by crystallographers investigating ever more complex compounds. In the 21st century, chemists are exploring the possibilities of coordination polymers, a wide class of crystalline materials that self-assemble from metal cations and organic ligands into periodic framework materials. Longer organic ligands mean these compounds can form multi-component interwoven network structures where the "edges" are no longer constrained to join nearest-neighbour "nodes" as in simpler atom-bond networks. The challenge for geometers is to devise algorithms for enumerating relevant structures and to devise invariants that will distinguish between different modes of interweaving. This talk will survey various methods from computational geometry and topology that are currently used to describe crystalline structures and outline research directions to address some of the open questions suggested above.

We show how discrete Morse theory provides a rigorous and unifying foundation for defining skeletons and partitions of grayscale digital images. We model a grayscale image as a cubical complex with a real-valued function defined on its vertices (the voxel values). This function is extended to a discrete gradient vector field using the algorithm presented in Robins, Wood, Sheppard TPAMI 33:1646 (2011). In the current paper we define basins (the building blocks of a partition) and segments of the skeleton using the stable and unstable sets associated with critical cells. The natural connection between Morse theory and homology allows us to prove the topological validity of these constructions; for example, that the skeleton is homotopic to the initial object. We simplify the basins and skeletons via Morse-theoretic cancellation of critical cells in the discrete gradient vector field using a strategy informed by persistent homology. Simple working Python code for our algorithms for efficient vector field traversal is included. Example data are taken from micro-CT images of porous materials, an application area where accurate topological models of pore connectivity are vital for fluid-flow modelling.

We develop topologically accurate and compatible definitions for the skeleton and watershed segmentation of a 3D digital object that are computed by a single algorithm. These definitions are based on a discrete gradient vector field derived from a signed distance transform. This gradient vector field is amenable to topological analysis and simplification via For-man's discrete Morse theory and provides a filtration that can be used as input to persistent homology algorithms. Efficient implementations allow us to process large-scale x-ray micro-CT data of rock cores and other materials.

We present an algorithm for determining the Morse complex of a two or three-dimensional grayscale digital image. Each cell in the Morse complex corresponds to a topological change in the level sets (i.e., a critical point) of the grayscale image. Since more than one critical point may be associated with a single image voxel, we model digital images by cubical complexes. A new homotopic algorithm is used to construct a discrete Morse function on the cubical complex that agrees with the digital image and has exactly the number and type of critical cells necessary to characterize the topological changes in the level sets. We make use of discrete Morse theory and simple homotopy theory to prove correctness of this algorithm. The resulting Morse complex is considerably simpler than the cubical complex originally used to represent the image and may be used to compute persistent homology.