Understanding large amounts of spatiotemporal data from particle-based simulations, such as molecular dynamics, often relies on the computation and analysis of aggregate measures. These, however, by virtue of aggregation, hide structural information about the space time localization of the studied phenomena. This leads to degenerate cases where the measures fail to capture distinct behaviour. In order to drill into these aggregate values, we propose a multi-scale visual exploration technique. Our novel representation, based on partial domain aggregation, enables the construction of a continuous scale-space for discrete datasets and the simultaneous exploration of scales in both space and time. We link these two scale-spaces in a scale-space space-time cube and model linked views as orthogonal slices through this cube, thus enabling the rapid identification of spatio-temporal patterns at multiple scales. To demonstrate the effectiveness of our approach, we showcase an advanced exploration of a protein-ligand simulation.
Time is an exceptional dimension that is common to many application domains such as medicine, engineering, business, or science. Due to the distinct characteristics of time, appropriate visual and analytical methods are required to explore and analyze them. This book starts with an introduction to visualization and historical examples of visual representations. At its core, the book presents and discusses a systematic view of the visualization of time-oriented data along three key questions: what is being visualized (data), why something is visualized (user tasks), and how it is presented (visual representation). To support visual exploration, interaction techniques and analytical methods are required that are discussed in separate chapters. A large part of this book is devoted to a structured survey of 101 different visualization techniques as a reference for scientists conducting related research as well as for practitioners seeking information on how their time-oriented data can best be visualized. In recent years scientific visualization has been driven by the need to visualize high-dimensional data sets within high-dimensional spaces. However most visualization methods are designed to show only some statistical features of the data set. The paper deals with the visualization of trajectories of high-dimensional dynamical systems which form a L sub n sup n data set of a smooth n-dimensional flow. Three methods that are based on the idea of parallel coordinates are presented and discussed. Visualizations done with these new methods are shown and an interactive visualization tool for the exploration of high-dimensional dynamical systems is proposed. We present a new algorithm to explore and visualize multivariate time-varying data sets. We identify important trend relationships among the variables based on how the values of the variables change over time and how those changes are related to each other in different spatial regions and time intervals. The trend relationships can be used to describe the correlation and causal effects among the different variables. To identify the temporal trends from a local region, we design a new algorithm called SUBDTW to estimate when a trend appears and vanishes in a given time series. Based on the beginning and ending times of the trends, their temporal relationships can be modeled as a state machine representing the trend sequence. Since a scientific data set usually contains millions of data points, we propose an algorithm to extract important trend relationships in linear time complexity. We design novel user interfaces to explore the trend relationships, to visualize their temporal characteristics, and to display their spatial distributions. We use several scientific data sets to test our algorithm and demonstrate its utilities.