Topological data analysis (TDA) is a collection of powerful tools that can quantify shape and structure in data in order to answer questions from the data’s domain. This is done by representing some aspect of the structure of the data in a simplified topological signature. In this article, we introduce two of the most commonly used topological signatures. First, the persistence diagram represents loops and holes in the space by considering connectivity of the data points for a continuum of values rather than a single fixed value. The second topological signature, the mapper graph, returns a 1-dimensional structure representing the shape of the data, and is particularly good for exploration and visualization of the data. While these techniques are based on very sophisticated mathematics, the current ubiquity of available software means that these tools are more accessible than ever to be applied to data by researchers in education and learning, as well as all domain scientists.

In this paper we develop an alternative topological data analysis (TDA) approach for studying graph representations of time series of dynamical systems. Specifically, we show how persistent homology, a tool from TDA, can be used to yield a compressed, multi-scale representation of the graph that can distinguish between dynamic states such as periodic and chaotic behavior. We show the approach for two graph constructions obtained from the time series. In the first approach the time series is embedded into a point cloud which is then used to construct an undirected $k$-nearest-neighbor graph. The second construct relies on the recently developed ordinal partition framework. In either case, a pairwise distance matrix is then calculated using the shortest path between the graph's nodes, and this matrix is utilized to define a filtration of a simplicial complex that enables tracking the changes in homology classes over the course of the filtration. These changes are summarized in a persistence diagram's two-dimensional summary of changes in the topological features. We then extract existing as well as new geometric and entropy point summaries from the persistence diagram and compare to other commonly used network characteristics. Our results show that persistence-based point summaries yield a clearer distinction of the dynamic behavior and are more robust to noise than existing graph-based scores, especially when combined with ordinal graphs.

Shape is data and data is shape. Biologists are accustomed to thinking about how the shape of biomolecules, cells, tissues, and organisms arise from the effects of genetics, development, and the environment. Less often do we consider that data itself has shape and structure, or that it is possible to measure the shape of data and analyze it. Here, we review applications of topological data analysis (TDA) to biology in a way accessible to biologists and applied mathematicians alike. TDA uses principles from algebraic topology to comprehensively measure shape in data sets. Using a function that relates the similarity of data points to each other, we can monitor the evolution of topological features—connected components, loops, and voids. This evolution, a topological signature, concisely summarizes large, complex data sets. We first provide a TDA primer for biologists before exploring the use of TDA across biological sub‐disciplines, spanning structural biology, molecular biology, evolution, and development. We end by comparing and contrasting different TDA approaches and the potential for their use in biology. The vision of TDA, that data are shape and shape is data, will be relevant as biology transitions into a data‐driven era where the meaningful interpretation of large data sets is a limiting factor.

Physical phenomena in science and engineering are frequently modeled using scalar fields. In scalar field topology, graph-based topological descriptors such as merge trees, contour trees, and Reeb graphs are commonly used to characterize topological changes in the (sub)level sets of scalar fields. One of the biggest challenges and opportunities to advance topology-based visualization is to understand and incorporate uncertainty into such topological descriptors to effectively reason about their underlying data. In this paper, we study a structural average of a set of labeled merge trees and use it to encode uncertainty in data. Specifically, we compute a 1-center tree that minimizes its maximum distance to any other tree in the set under a well-defined metric called the interleaving distance. We provide heuristic strategies that compute structural averages of merge trees whose labels do not fully agree. We further provide an interactive visualization system that resembles a numerical calculator that takes as input a set of merge trees and outputs a tree as their structural average. We also highlight structural similarities between the input and the average and incorporate uncertainty information for visual exploration. We develop a novel measure of uncertainty, referred to as consistency, via a metric-space view of the input trees. Finally, we demonstrate an application of our framework through merge trees that arise from ensembles of scalar fields. Our work is the first to employ interleaving distances and consistency to study a global, mathematically rigorous, structural average of merge trees in the context of uncertainty visualization.