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Background: Studying the patterns of protein-protein interactions (PPIs) is fundamental for understanding the structure and function of protein complexes. The exploration of the vast space of possible mutual configurations of interacting proteins and their contact zones is very time consuming and requires the proteomic expert knowledge., Results: In this paper, we propose a novel tool containing a set of visual abstraction techniques for the guided exploration of PPI configuration space. It helps proteomic experts to select the most relevant configurations and explore their contact zones at different levels of detail. The system integrates a set of methods that follow and support the workflow of proteomics experts. The first visual abstraction method, the Matrix view, is based on customized interactive heat maps and provides the users with an overview of all possible residue-residue contacts in all PPI configurations and their interactive filtering. In this step, the user can traverse all input PPI configurations and obtain an overview of their interacting amino acids. Then, the models containing a particular pair of interacting amino acids can be selectively picked and traversed. Detailed information on the individual amino acids in the contact zones and their properties is presented in the Contact-Zone list-view. The list-view provides a comparative tool to rank the best models based on the similarity of their contacts to the template-structure contacts. All these techniques are interactively linked with other proposed methods, the Exploded view and the Open-Book view, which represent individual configurations in three-dimensional space. These representations solve the high overlap problem associated with many configurations. Using these views, the structural alignment of the best models can also be visually confirmed., Conclusions: We developed a system for the exploration of large sets of protein-protein complexes in a fast and intuitive way. The usefulness of our system has been tested and verified on several docking structures covering the three major types of PPIs, including coiled-coil, pocket-string, and surface-surface interactions. Our case studies prove that our tool helps to analyse and filter protein-protein complexes in a fraction of the time compared to using previously available techniques.

Visualization of structural biology data uses color to categorize or separate dense structures into particular semantic units. In multiscale models of viruses or bacteria, there are atoms on the finest level of detail, then amino-acids, secondary structures, macromolecules, up to the compartment level and, in all these levels, elements can be visually distinguished by color. However, currently only single scale coloring schemes are utilized that show information for one particular scale only. We present a novel technology which adaptively, based on the current scale level, adjusts the color scheme to depict or distinguish the currently best visible structural information. We treat the color as a visual resource that is distributed given a particular demand. The changes of the color scheme are seamlessly interpolated between the color scheme from the previous views into a given new one. With such dynamic multi-scale color mapping we ensure that the viewer is able to distinguish structural detail that is shown on any given scale. This technique has been tested by users with an expertise in structural biology and has been overall well received.

The visual analysis of surface cracks plays an essential role in tunnel maintenance when assessing the condition of a tunnel. To identify patterns of cracks, which endanger the structural integrity of its concrete surface, analysts need an integrated solution for visual analysis of geometric and multivariate data to decide if issuing a repair project is necessary. The primary contribution of this work is a design study, supporting tunnel crack analysis by tightly integrating geometric and attribute views to allow users a holistic visual analysis of geometric representations and multivariate attributes. Our secondary contribution is Visual Analytics and Rendering, a methodological approach which addresses challenges and recurring design questions in integrated systems. We evaluated the tunnel crack analysis solution in informal feedback sessions with experts from tunnel maintenance and surveying. We substantiated the derived methodology by providing guidelines and linking it to examples from the literature.

State-of-the-art lighting design is based on physically accurate lighting simulations of scenes such as offices. The simulation results support lighting designers in the creation of lighting configurations, which must meet contradicting customer objectives regarding quality and price while conforming to industry standards. However, current tools for lighting design impede rapid feedback cycles. On the one side, they decouple analysis and simulation specification. On the other side, they lack capabilities for a detailed comparison of multiple configurations. The primary contribution of this paper is a design study of LiteVis, a system for efficient decision support in lighting design. LiteVis tightly integrates global illumination-based lighting simulation, a spatial representation of the scene, and non-spatial visualizations of parameters and result indicators. This enables an efficient iterative cycle of simulation parametrization and analysis. Specifically, a novel visualization supports decision making by ranking simulated lighting configurations with regard to a weight-based prioritization of objectives that considers both spatial and non-spatial characteristics. In the spatial domain, novel concepts support a detailed comparison of illumination scenarios. We demonstrate LiteVis using a real-world use case and report qualitative feedback of lighting designers. This feedback indicates that LiteVis successfully supports lighting designers to achieve key tasks more efficiently and with greater certainty.

Geologists usually deal with rocks that are up to several thousand million years old. They try to reconstruct the tectonic settings where these rocks were formed and the history of events that affected them through the geological time. The spinel group minerals provide useful information regarding the geological environment in which the host rocks were formed. They constitute excellent indicators of geological environments (tectonic settings) and are of invaluable help in the search for mineral deposits of economic interest. The current workflow requires the scientists to work with different applications to analyze spine data. They do use specific diagrams, but these are usually not interactive. The current workflow hinders domain experts to fully exploit the potentials of tediously and expensively collected data. In this paper, we introduce the Spinel Explorer-an interactive visual analysis application for spinel group minerals. The design of the Spinel Explorer and of the newly introduced interactions is a result of a careful study of geologists' tasks. The Spinel Explorer includes most of the diagrams commonly used for analyzing spinel group minerals, including 2D binary plots, ternary plots, and 3D Spinel prism plots. Besides specific plots, conventional information visualization views are also integrated in the Spinel Explorer. All views are interactive and linked. The Spinel Explorer supports conventional statistics commonly used in spinel minerals exploration. The statistics views and different data derivation techniques are fully integrated in the system. Besides the Spinel Explorer as newly proposed interactive exploration system, we also describe the identified analysis tasks, and propose a new workflow. We evaluate the Spinel Explorer using real-life data from two locations in Argentina: the Frontal Cordillera in Central Andes and Patagonia. We describe the new findings of the geologists which would have been much more difficult to achieve using the current workflow only. Very positive feedback from geologists confirms the usefulness of the Spinel Explorer.

We present an interactive graphical approach for the explicit specification of semantics for volume visualization. This explicit and graphical specification of semantics for volumetric features allows us to visually assign meaning to both input and output parameters of the visualization mapping. This is in contrast to the implicit way of specifying semantics using transfer functions. In particular, we demonstrate how to realize a dynamic specification of semantics which allows to flexibly explore a wide range of mappings. Our approach is based on three concepts. First, we use semantic shader augmentation to automatically add rule-based rendering functionality to static visualization mappings in a shader program, while preserving the visual abstraction that the initial shader encodes. With this technique we extend recent developments that define a mapping between data attributes and visual attributes with rules, which are evaluated using fuzzy logic. Second, we let users define the semantics by analogy through brushing on renderings of the data attributes of interest. Third, the rules are specified graphically in an interface that provides visual clues for potential modifications. Together, the presented methods offer a high degree of freedom in the specification and exploration of rule-based mappings and avoid the limitations of a linguistic rule formulation.

A common problem in image-guided radiation therapy (IGRT) of lung cancer as well as other malignant diseases is the compensation of periodic and aperiodic motion during dose delivery. Modern systems for image-guided radiation oncology allow for the acquisition of cone-beam computed tomography data in the treatment room as well as the acquisition of planar radiographs during the treatment. A mid-term research goal is the compensation of tumor target volume motion by 2D/3D Registration. In 2D/3D registration, spatial information on organ location is derived by an iterative comparison of perspective volume renderings, so-called digitally rendered radiographs (DRR) from computed tomography volume data, and planar reference x-rays. Currently, this rendering process is very time consuming, and real-time registration, which should at least provide data on organ position in less than a second, has not come into existence. We present two GPU-based rendering algorithms which generate a DRR of 512×512 pixels size from a CT dataset of 53 MB size at a pace of almost 100 Hz. This rendering rate is feasible by applying a number of algorithmic simplifications which range from alternative volume-driven rendering approaches - namely so-called wobbled splatting - to sub-sampling of the DRR-image by means of specialized raycasting techniques. Furthermore, general purpose graphics processing unit (GPGPU) programming paradigms were consequently utilized. Rendering quality and performance as well as the influence on the quality and performance of the overall registration process were measured and analyzed in detail. The results show that both methods are competitive and pave the way for fast motion compensation by rigid and possibly even non-rigid 2D/3D registration and, beyond that, adaptive filtering of motion models in IGRT., (Copyright © 2011. Published by Elsevier GmbH.)

This paper presents a novel framework for visualizing volumetric data specified on complex polyhedral grids, without the need to perform any kind of a priori tetrahedralization. These grids are composed of polyhedra that often are non-convex and have an arbitrary number of faces, where the faces can be non-planar with an arbitrary number of vertices. The importance of such grids in state-of-the-art simulation packages is increasing rapidly. We propose a very compact, face-based data structure for representing such meshes for visualization, called two-sided face sequence lists (TSFSL), as well as an algorithm for direct GPU-based ray-casting using this representation. The TSFSL data structure is able to represent the entire mesh topology in a 1D TSFSL data array of face records, which facilitates the use of efficient 1D texture accesses for visualization. In order to scale to large data sizes, we employ a mesh decomposition into bricks that can be handled independently, where each brick is then composed of its own TSFSL array. This bricking enables memory savings and performance improvements for large meshes. We illustrate the feasibility of our approach with real-world application results, by visualizing highly complex polyhedral data from commercial state-of-the-art simulation packages., (© 2011 IEEE)

In this paper we present World Lines as a novel interactive visualization that provides complete control over multiple heterogeneous simulation runs. In many application areas, decisions can only be made by exploring alternative scenarios. The goal of the suggested approach is to support users in this decision making process. In this setting, the data domain is extended to a set of alternative worlds where only one outcome will actually happen. World Lines integrate simulation, visualization and computational steering into a single unified system that is capable of dealing with the extended solution space. World Lines represent simulation runs as causally connected tracks that share a common time axis. This setup enables users to interfere and add new information quickly. A World Line is introduced as a visual combination of user events and their effects in order to present a possible future. To quickly find the most attractive outcome, we suggest World Lines as the governing component in a system of multiple linked views and a simulation component. World Lines employ linking and brushing to enable comparative visual analysis of multiple simulations in linked views. Analysis results can be mapped to various visual variables that World Lines provide in order to highlight the most compelling solutions. To demonstrate this technique we present a flooding scenario and show the usefulness of the integrated approach to support informed decision making.

Although real-time interactive volume rendering is available even for very large data sets, this visualization method is used quite rarely in the clinical practice. We suspect this is because it is very complicated and time consuming to adjust the parameters to achieve meaningful results. The clinician has to take care of the appropriate viewpoint, zooming, transfer function setup, clipping planes and other parameters. Because of this, most often only 2D slices of the data set are examined. Our work introduces LiveSync, a new concept to synchronize 2D slice views and volumetric views of medical data sets. Through intuitive picking actions on the slice, the users define the anatomical structures they are interested in. The 3D volumetric view is updated automatically with the goal that the users are provided with expressive result images. To achieve this live synchronization we use a minimal set of derived information without the need for segmented data sets or data-specific pre-computations. The components we consider are the picked point, slice view zoom, patient orientation, viewpoint history, local object shape and visibility. We introduce deformed viewing spheres which encode the viewpoint quality for the components. A combination of these deformed viewing spheres is used to estimate a good viewpoint. Our system provides the physician with synchronized views which help to gain deeper insight into the medical data with minimal user interaction.

Direct volume rendering techniques map volumetric attributes (e.g., density, gradient magnitude, etc.) to visual styles. Commonly this mapping is specified by a transfer function. The specification of transfer functions is a complex task and requires expert knowledge about the underlying rendering technique. In the case of multiple volumetric attributes and multiple visual styles the specification of the multi-dimensional transfer function becomes more challenging and non-intuitive. We present a novel methodology for the specification of a mapping from several volumetric attributes to multiple illustrative visual styles. We introduce semantic layers that allow a domain expert to specify the mapping in the natural language of the domain. A semantic layer defines the mapping of volumetric attributes to one visual style. Volumetric attributes and visual styles are represented as fuzzy sets. The mapping is specified by rules that are evaluated with fuzzy logic arithmetics. The user specifies the fuzzy sets and the rules without special knowledge about the underlying rendering technique. Semantic layers allow for a linguistic specification of the mapping from attributes to visual styles replacing the traditional transfer function specification.