Data visualization: foundations, techniques, and applications

The idea that there is no precedence for the amount of data that is being generated today, and that the need to explore and analyze this vast volumes of data has become an increasingly difficult task that could benefit from using Data visualization is presented. It is pointed that the goals of data visualization are data-driven and depend largely on the type of application, but the final objective is to convey to people information that is hidden in large volumes of data. Finally, the visualization pipeline is presented to review aspects of visualization methodology and visualization tool design, to conclude that the true potential of visualization emerge from the interaction of the user with the visualization model. The paper concludes establishing that the current processes of digital transformation will increase the need for visual analytics tools

Dust and gas emission from cometary nuclei: the case of comet 67P/Churyumov-Gerasimenko

Comets display with decreasing solar distance an increased emission of gas and dust particles, leading to the formation of the coma and tail. Spacecraft missions provide insight in the temporal and spatial variations of the dust and gas sources located on the cometary nucleus. For the case of comet 67P/Churyumov-Gerasimenko (67P/C-G), the long-term observations from the Rosetta mission point to a homogeneous dust emission across the entire illuminated surface. Despite the homogeneous initial distribution, a collimation in jet-like structures becomes visible. We propose that this observation is linked directly to the complex shape of the nucleus and projects concave topographical features into the dust coma. To test this hypothesis, we put forward a gas-dust description of 67P/C-G, where gravitational and gas forces are accurately determined from the surface mesh and the rotation of the nucleus is fully incorporated. The emerging jet-like structures persist for a wide range of gas-dust interactions and show a dust velocity dependent bending.Comment: 17 pages, with 7 figures. To appear in Advances in Physics X (2018

Exploring cavity dynamics in biomolecular systems

Background The internal cavities of proteins are dynamic structures and their dynamics may be associated with conformational changes which are required for the functioning of the protein. In order to study the dynamics of these internal protein cavities, appropriate tools are required that allow rapid identification of the cavities as well as assessment of their time-dependent structures. Results In this paper, we present such a tool and give results that illustrate the applicability for the analysis of molecular dynamics trajectories. Our algorithm consists of a pre-processing step where the structure of the cavity is computed from the Voronoi diagram of the van der Waals spheres based on coordinate sets from the molecular dynamics trajectory. The pre-processing step is followed by an interactive stage, where the user can compute, select and visualize the dynamic cavities. Importantly, the tool we discuss here allows the user to analyze the time-dependent changes of the components of the cavity structure. An overview of the cavity dynamics is derived by rendering the dynamic cavities in a single image that gives the cavity surface colored according to its time-dependent dynamics. Conclusion The Voronoi-based approach used here enables the user to perform accurate computations of the geometry of the internal cavities in biomolecules. For the first time, it is possible to compute dynamic molecular paths that have a user-defined minimum constriction size. To illustrate the usefulness of the tool for understanding protein dynamics, we probe the dynamic structure of internal cavities in the bacteriorhodopsin proton pump

Geodesic analysis in Kendall’s shape space with epidemiological applications

We analytically determine Jacobi fields and parallel transports and compute geodesic regression in Kendall’s shape space. Using the derived expressions, we can fully leverage the geometry via Riemannian optimization and thereby reduce the computational expense by several orders of magnitude over common, nonlinear constrained approaches. The methodology is demonstrated by performing a longitudinal statistical analysis of epidemiological shape data. As an example application, we have chosen 3D shapes of knee bones, reconstructed from image data of the Osteoarthritis Initiative. Comparing subject groups with incident and developing osteoarthritis versus normal controls, we find clear differences in the temporal development of femur shapes. This paves the way for early prediction of incident knee osteoarthritis, using geometry data alone

Intrinsic shape analysis in archaeology: A case study on ancient sundials

This paper explores a novel mathematical approach to extract archaeological insights from ensembles of similar artifact shapes. We show that by considering all the shape information in a find collection, it is possible to identify shape patterns that would be difficult to discern by considering the artifacts individually or by classifying shapes into predefined archaeological types and analyzing the associated distinguishing characteristics. Recently, series of high-resolution digital representations of artifacts have become available, and we explore their potential on a set of 3D models of ancient Greek and Roman sundials, with the aim of providing alternatives to the traditional archaeological method of ``trend extraction by ordination'' (typology). In the proposed approach, each 3D shape is represented as a point in a shape space -- a high-dimensional, curved, non-Euclidean space. By performing regression in shape space, we find that for Roman sundials, the bend of the sundials' shadow-receiving surface changes with the location's latitude. This suggests that, apart from the inscribed hour lines, also a sundial's shape was adjusted to the place of installation. As an example of more advanced inference, we use the identified trend to infer the latitude at which a sundial, whose installation location is unknown, was placed. We also derive a novel method for differentiated morphological trend assertion, building upon and extending the theory of geometric statistics and shape analysis. Specifically, we present a regression-based method for statistical normalization of shapes that serves as a means of disentangling parameter-dependent effects (trends) and unexplained variability.Comment: accepted for publication from the ACM Journal on Computing and Cultural Heritag