Molecumentary: Adaptable Narrated Documentaries Using Molecular Visualization.

We present a method for producing documentary-style content using real-time scientific visualization. We introduce molecumentaries, i.e., molecular documentaries featuring structural models from molecular biology, created through adaptable methods instead of the rigid traditional production pipeline. Our work is motivated by the rapid evolution of scientific visualization and it potential in science dissemination. Without some form of explanation or guidance, however, novices and lay-persons often find it difficult to gain insights from the visualization itself. We integrate such knowledge using the verbal channel and provide it along an engaging visual presentation. To realize the synthesis of a molecumentary, we provide technical solutions along two major production steps: (1) preparing a story structure and (2) turning the story into a concrete narrative. In the first step, we compile information about the model from heterogeneous sources into a story graph. We combine local knowledge with external sources to complete the story graph and enrich the final result. In the second step, we synthesize a narrative, i.e., story elements presented in sequence, using the story graph. We then traverse the story graph and generate a virtual tour, using automated camera and visualization transitions. We turn texts written by domain experts into verbal representations using text-to-speech functionality and provide them as a commentary. Using the described framework, we synthesize fly-throughs with descriptions: automatic ones that mimic a manually authored documentary or semi-automatic ones which guide the documentary narrative solely through curated textual input.

ErgoExplorer: Interactive Ergonomic Risk Assessment from Video Collections.

Ergonomic risk assessment is now, due to an increased awareness, carried out more often than in the past. The conventional risk assessment evaluation, based on expert-assisted observation of the workplaces and manually filling in score tables, is still predominant. Data analysis is usually done with a focus on critical moments, although without the support of contextual information and changes over time. In this paper we introduce ErgoExplorer, a system for the interactive visual analysis of risk assessment data. In contrast to the current practice, we focus on data that span across multiple actions and multiple workers while keeping all contextual information. Data is automatically extracted from video streams. Based on carefully investigated analysis tasks, we introduce new views and their corresponding interactions. These views also incorporate domain-specific score tables to guarantee an easy adoption by domain experts. All views are integrated into ErgoExplorer, which relies on coordinated multiple views to facilitate analysis through interaction. ErgoExplorer makes it possible for the first time to examine complex relationships between risk assessments of individual body parts over long sessions that span multiple operations. The newly introduced approach supports analysis and exploration at several levels of detail, ranging from a general overview, down to inspecting individual frames in the video stream, if necessary. We illustrate the usefulness of the newly proposed approach applying it to several datasets.

Multiscale Unfolding: Illustratively Visualizing the Whole Genome at a Glance.

We present Multiscale Unfolding, an interactive technique for illustratively visualizing multiple hierarchical scales of DNA in a single view, showing the genome at different scales and demonstrating how one scale spatially folds into the next. The DNA's extremely long sequential structure-arranged differently on several distinct scale levels-is often lost in traditional 3D depictions, mainly due to its multiple levels of dense spatial packing and the resulting occlusion. Furthermore, interactive exploration of this complex structure is cumbersome, requiring visibility management like cut-aways. In contrast to existing temporally controlled multiscale data exploration, we allow viewers to always see and interact with any of the involved scales. For this purpose we separate the depiction into constant-scale and scale transition zones. Constant-scale zones maintain a single-scale representation, while still linearly unfolding the DNA. Inspired by illustration, scale transition zones connect adjacent constant-scale zones via level unfolding, scaling, and transparency. We thus represent the spatial structure of the whole DNA macro-molecule, maintain its local organizational characteristics, linearize its higher-level organization, and use spatially controlled, understandable interpolation between neighboring scales. We also contribute interaction techniques that provide viewers with a coarse-to-fine control for navigating within our all-scales-in-one-view representations and visual aids to illustrate the size differences. Overall, Multiscale Unfolding allows viewers to grasp the DNA's structural composition from chromosomes to the atoms, with increasing levels of "unfoldedness," and can be applied in data-driven illustration and communication.

Semi-automatic vessel detection for challenging cases of peripheral arterial disease.

OBJECTIVES: Manual or semi-automated segmentation of the lower extremity arterial tree in patients with Peripheral arterial disease (PAD) remains a notoriously difficult and time-consuming task. The complex manifestations of the disease, including discontinuities of the vascular flow channels, the presence of calcified atherosclerotic plaque in close vicinity to adjacent bone, and the presence of metal or other imaging artifacts currently preclude fully automated vessel identification. New machine learning techniques may alleviate this challenge, but require large and reasonably well segmented training data. METHODS: We propose a novel semi-automatic vessel tracking approach for peripheral arteries to facilitate and accelerate the creation of annotated training data by expert cardiovascular radiologists or technologists, while limiting the number of necessary manual interactions, and reducing processing time. After automatically classifying blood vessels, bones, and other tissue, the relevant vessels are tracked and organized in a tree-like structure for further visualization. RESULTS: We conducted a pilot (N = 9) and a clinical study (N = 24) in which we assess the accuracy and required time for our approach to achieve sufficient quality for clinical application, with our current clinically established workflow as the standard of reference. Our approach enabled expert physicians to readily identify all clinically relevant lower extremity arteries, even in problematic cases, with an average sensitivity of 92.9%, and an average specificity and overall accuracy of 99.9%. CONCLUSIONS: Compared to the clinical workflow in our collaborating hospitals (28:40 ± 7:45 [mm:ss]), our approach (17:24 ± 6:44 [mm:ss]) is on average 11:16 [mm:ss] (39%) faster.

HyperLabels: Browsing of Dense and Hierarchical Molecular 3D Models.

We present a method for the browsing of hierarchical 3D models in which we combine the typical navigation of hierarchical structures in a 2D environment-using clicks on nodes, links, or icons-with a 3D spatial data visualization. Our approach is motivated by large molecular models, for which the traditional single-scale navigational metaphors are not suitable. Multi-scale phenomena, e. g., in astronomy or geography, are complex to navigate due to their large data spaces and multi-level organization. Models from structural biology are in addition also densely crowded in space and scale. Cutaways are needed to show individual model subparts. The camera has to support exploration on the level of a whole virus, as well as on the level of a small molecule. We address these challenges by employing HyperLabels: active labels that-in addition to their annotational role-also support user interaction. Clicks on HyperLabels select the next structure to be explored. Then, we adjust the visualization to showcase the inner composition of the selected subpart and enable further exploration. Finally, we use a breadcrumbs panel for orientation and as a mechanism to traverse upwards in the model hierarchy. We demonstrate our concept of hierarchical 3D model browsing using two exemplary models from meso-scale biology.

InCorr: Interactive Data-Driven Correlation Panels for Digital Outcrop Analysis.

Geological analysis of 3D Digital Outcrop Models (DOMs) for reconstruction of ancient habitable environments is a key aspect of the upcoming ESA ExoMars 2022 Rosalind Franklin Rover and the NASA 2020 Rover Perseverance missions in seeking signs of past life on Mars. Geologists measure and interpret 3D DOMs, create sedimentary logs and combine them in 'correlation panels' to map the extents of key geological horizons, and build a stratigraphic model to understand their position in the ancient landscape. Currently, the creation of correlation panels is completely manual and therefore time-consuming, and inflexible. With InCorr we present a visualization solution that encompasses a 3D logging tool and an interactive data-driven correlation panel that evolves with the stratigraphic analysis. For the creation of InCorr we closely cooperated with leading planetary geologists in the form of a design study. We verify our results by recreating an existing correlation analysis with InCorr and validate our correlation panel against a manually created illustration. Further, we conducted a user-study with a wider circle of geologists. Our evaluation shows that InCorr efficiently supports the domain experts in tackling their research questions and that it has the potential to significantly impact how geologists work with digital outcrop representations in general.

Scale Trotter: Illustrative Visual Travels Across Negative Scales.

We present ScaleTrotter, a conceptual framework for an interactive, multi-scale visualization of biological mesoscale data and, specifically, genome data. ScaleTrotter allows viewers to smoothly transition from the nucleus of a cell to the atomistic composition of the DNA, while bridging several orders of magnitude in scale. The challenges in creating an interactive visualization of genome data are fundamentally different in several ways from those in other domains like astronomy that require a multi-scale representation as well. First, genome data has intertwined scale levels-the DNA is an extremely long, connected molecule that manifests itself at all scale levels. Second, elements of the DNA do not disappear as one zooms out-instead the scale levels at which they are observed group these elements differently. Third, we have detailed information and thus geometry for the entire dataset and for all scale levels, posing a challenge for interactive visual exploration. Finally, the conceptual scale levels for genome data are close in scale space, requiring us to find ways to visually embed a smaller scale into a coarser one. We address these challenges by creating a new multi-scale visualization concept. We use a scale-dependent camera model that controls the visual embedding of the scales into their respective parents, the rendering of a subset of the scale hierarchy, and the location, size, and scope of the view. In traversing the scales, ScaleTrotter is roaming between 2D and 3D visual representations that are depicted in integrated visuals. We discuss, specifically, how this form of multi-scale visualization follows from the specific characteristics of the genome data and describe its implementation. Finally, we discuss the implications of our work to the general illustrative depiction of multi-scale data.

Relaxing Dense Scatter Plots with Pixel-Based Mappings.

Scatter plots are the most commonly employed technique for the visualization of bivariate data. Despite their versatility and expressiveness in showing data aspects, such as clusters, correlations, and outliers, scatter plots face a main problem. For large and dense data, the representation suffers from clutter due to overplotting. This is often partially solved with the use of density plots. Yet, data overlap may occur in certain regions of a scatter or density plot, while other regions may be partially, or even completely empty. Adequate pixel-based techniques can be employed for effectively filling the plotting space, giving an additional notion of the numerosity of data motifs or clusters. We propose the Pixel-Relaxed Scatter Plots, a new and simple variant, to improve the display of dense scatter plots, using pixel-based, space-filling mappings. Our Pixel-Relaxed Scatter Plots make better use of the plotting canvas, while avoiding data overplotting, and optimizing space coverage and insight in the presence and size of data motifs. We have employed different methods to map scatter plot points to pixels and to visually present this mapping. We demonstrate our approach on several synthetic and realistic datasets, and we discuss the suitability of our technique for different tasks. Our conducted user evaluation shows that our Pixel-Relaxed Scatter Plots can be a useful enhancement to traditional scatter plots.

Multiscale Molecular Visualization.

We provide a high-level survey of multiscale molecular visualization techniques, with a focus on application-domain questions, challenges, and tasks. We provide a general introduction to molecular visualization basics and describe a number of domain-specific tasks that drive this work. These tasks, in turn, serve as the general structure of the following survey. First, we discuss methods that support the visual analysis of molecular dynamics simulations. We discuss, in particular, visual abstraction and temporal aggregation. In the second part, we survey multiscale approaches that support the design, analysis, and manipulation of DNA nanostructures and related concepts for abstraction, scale transition, scale-dependent modeling, and navigation of the resulting abstraction spaces. In the third part of the survey, we showcase approaches that support interactive exploration within large structural biology assemblies up to the size of bacterial cells. We describe fundamental rendering techniques as well as approaches for element instantiation, visibility management, visual guidance, camera control, and support of depth perception. We close the survey with a brief listing of important tools that implement many of the discussed approaches and a conclusion that provides some research challenges in the field.

Labels on Levels: Labeling of Multi-Scale Multi-Instance and Crowded 3D Biological Environments.

Labeling is intrinsically important for exploring and understanding complex environments and models in a variety of domains. We present a method for interactive labeling of crowded 3D scenes containing very many instances of objects spanning multiple scales in size. In contrast to previous labeling methods, we target cases where many instances of dozens of types are present and where the hierarchical structure of the objects in the scene presents an opportunity to choose the most suitable level for each placed label. Our solution builds on and goes beyond labeling techniques in medical 3D visualization, cartography, and biological illustrations from books and prints. In contrast to these techniques, the main characteristics of our new technique are: 1) a novel way of labeling objects as part of a bigger structure when appropriate, 2) visual clutter reduction by labeling only representative instances for each type of an object, and a strategy of selecting those. The appropriate level of label is chosen by analyzing the scene's depth buffer and the scene objects' hierarchy tree. We address the topic of communicating the parent-children relationship between labels by employing visual hierarchy concepts adapted from graphic design. Selecting representative instances considers several criteria tailored to the character of the data and is combined with a greedy optimization approach. We demonstrate the usage of our method with models from mesoscale biology where these two characteristics-multi-scale and multi-instance-are abundant, along with the fact that these scenes are extraordinarily dense.

Multiscale Visualization and Scale-Adaptive Modification of DNA Nanostructures.

We present an approach to represent DNA nanostructures in varying forms of semantic abstraction, describe ways to smoothly transition between them, and thus create a continuous multiscale visualization and interaction space for applications in DNA nanotechnology. This new way of observing, interacting with, and creating DNA nanostructures enables domain experts to approach their work in any of the semantic abstraction levels, supporting both low-level manipulations and high-level visualization and modifications. Our approach allows them to deal with the increasingly complex DNA objects that they are designing, to improve their features, and to add novel functions in a way that no existing single-scale approach offers today. For this purpose we collaborated with DNA nanotechnology experts to design a set of ten semantic scales. These scales take the DNA's chemical and structural behavior into account and depict it from atoms to the targeted architecture with increasing levels of abstraction. To create coherence between the discrete scales, we seamlessly transition between them in a well-defined manner. We use special encodings to allow experts to estimate the nanoscale object's stability. We also add scale-adaptive interactions that facilitate the intuitive modification of complex structures at multiple scales. We demonstrate the applicability of our approach on an experimental use case. Moreover, feedback from our collaborating domain experts confirmed an increased time efficiency and certainty for analysis and modification tasks on complex DNA structures. Our method thus offers exciting new opportunities with promising applications in medicine and biotechnology.

Instant Construction and Visualization of Crowded Biological Environments.

We present the first approach to integrative structural modeling of the biological mesoscale within an interactive visual environment. These complex models can comprise up to millions of molecules with defined atomic structures, locations, and interactions. Their construction has previously been attempted only within a non-visual and non-interactive environment. Our solution unites the modeling and visualization aspect, enabling interactive construction of atomic resolution mesoscale models of large portions of a cell. We present a novel set of GPU algorithms that build the basis for the rapid construction of complex biological structures. These structures consist of multiple membrane-enclosed compartments including both soluble molecules and fibrous structures. The compartments are defined using volume voxelization of triangulated meshes. For membranes, we present an extension of the Wang Tile concept that populates the bilayer with individual lipids. Soluble molecules are populated within compartments distributed according to a Halton sequence. Fibrous structures, such as RNA or actin filaments, are created by self-avoiding random walks. Resulting overlaps of molecules are resolved by a forced-based system. Our approach opens new possibilities to the world of interactive construction of cellular compartments. We demonstrate its effectiveness by showcasing scenes of different scale and complexity that comprise blood plasma, mycoplasma, and HIV.

Visualization Multi-Pipeline for Communicating Biology.

We propose a system to facilitate biology communication by developing a pipeline to support the instructional visualization of heterogeneous biological data on heterogeneous user-devices. Discoveries and concepts in biology are typically summarized with illustrations assembled manually from the interpretation and application of heterogenous data. The creation of such illustrations is time consuming, which makes it incompatible with frequent updates to the measured data as new discoveries are made. Illustrations are typically non-interactive, and when an illustration is updated, it still has to reach the user. Our system is designed to overcome these three obstacles. It supports the integration of heterogeneous datasets, reflecting the knowledge that is gained from different data sources in biology. After pre-processing the datasets, the system transforms them into visual representations as inspired by scientific illustrations. As opposed to traditional scientific illustration these representations are generated in real-time - they are interactive. The code generating the visualizations can be embedded in various software environments. To demonstrate this, we implemented both a desktop application and a remote-rendering server in which the pipeline is embedded. The remote-rendering server supports multi-threaded rendering and it is able to handle multiple users simultaneously. This scalability to different hardware environments, including multi-GPU setups, makes our system useful for efficient public dissemination of biological discoveries.

Placenta Maps: In Utero Placental Health Assessment of the Human Fetus.

The human placenta is essential for the supply of the fetus. To monitor the fetal development, imaging data is acquired using (US). Although it is currently the gold-standard in fetal imaging, it might not capture certain abnormalities of the placenta. (MRI) is a safe alternative for the in utero examination while acquiring the fetus data in higher detail. Nevertheless, there is currently no established procedure for assessing the condition of the placenta and consequently the fetal health. Due to maternal respiration and inherent movements of the fetus during examination, a quantitative assessment of the placenta requires fetal motion compensation, precise placenta segmentation and a standardized visualization, which are challenging tasks. Utilizing advanced motion compensation and automatic segmentation methods to extract the highly versatile shape of the placenta, we introduce a novel visualization technique that presents the fetal and maternal side of the placenta in a standardized way. Our approach enables physicians to explore the placenta even in utero. This establishes the basis for a comparative assessment of multiple placentas to analyze possible pathologic arrangements and to support the research and understanding of this vital organ. Additionally, we propose a three-dimensional structure-aware surface slicing technique in order to explore relevant regions inside the placenta. Finally, to survey the applicability of our approach, we consulted clinical experts in prenatal diagnostics and imaging. We received mainly positive feedback, especially the applicability of our technique for research purposes was appreciated.

AnimoAminoMiner: Exploration of Protein Tunnels and their Properties in Molecular Dynamics.

In this paper we propose a novel method for the interactive exploration of protein tunnels. The basic principle of our approach is that we entirely abstract from the 3D/4D space the simulated phenomenon is embedded in. A complex 3D structure and its curvature information is represented only by a straightened tunnel centerline and its width profile. This representation focuses on a key aspect of the studied geometry and frees up graphical estate to key chemical and physical properties represented by surrounding amino acids. The method shows the detailed tunnel profile and its temporal aggregation. The profile is interactively linked with a visual overview of all amino acids which are lining the tunnel over time. In this overview, each amino acid is represented by a set of colored lines depicting the spatial and temporal impact of the amino acid on the corresponding tunnel. This representation clearly shows the importance of amino acids with respect to selected criteria. It helps the biochemists to select the candidate amino acids for mutation which changes the protein function in a desired way. The AnimoAminoMiner was designed in close cooperation with domain experts. Its usefulness is documented by their feedback and a case study, which are included.

JiTTree: A Just-in-Time Compiled Sparse GPU Volume Data Structure.

Sparse volume data structures enable the efficient representation of large but sparse volumes in GPU memory for computation and visualization. However, the choice of a specific data structure for a given data set depends on several factors, such as the memory budget, the sparsity of the data, and data access patterns. In general, there is no single optimal sparse data structure, but a set of several candidates with individual strengths and drawbacks. One solution to this problem are hybrid data structures which locally adapt themselves to the sparsity. However, they typically suffer from increased traversal overhead which limits their utility in many applications. This paper presents JiTTree, a novel sparse hybrid volume data structure that uses just-in-time compilation to overcome these problems. By combining multiple sparse data structures and reducing traversal overhead we leverage their individual advantages. We demonstrate that hybrid data structures adapt well to a large range of data sets. They are especially superior to other sparse data structures for data sets that locally vary in sparsity. Possible optimization criteria are memory, performance and a combination thereof. Through just-in-time (JIT) compilation, JiTTree reduces the traversal overhead of the resulting optimal data structure. As a result, our hybrid volume data structure enables efficient computations on the GPU, while being superior in terms of memory usage when compared to non-hybrid data structures.

Cupid: Cluster-Based Exploration of Geometry Generators with Parallel Coordinates and Radial Trees.

Geometry generators are commonly used in video games and evaluation systems for computer vision to create geometric shapes such as terrains, vegetation or airplanes. The parameters of the generator are often sampled automatically which can lead to many similar or unwanted geometric shapes. In this paper, we propose a novel visual exploration approach that combines the abstract parameter space of the geometry generator with the resulting 3D shapes in a composite visualization. Similar geometric shapes are first grouped using hierarchical clustering and then nested within an illustrative parallel coordinates visualization. This helps the user to study the sensitivity of the generator with respect to its parameter space and to identify invalid parameter settings. Starting from a compact overview representation, the user can iteratively drill-down into local shape differences by clicking on the respective clusters. Additionally, a linked radial tree gives an overview of the cluster hierarchy and enables the user to manually split or merge clusters. We evaluate our approach by exploring the parameter space of a cup generator and provide feedback from domain experts.

Run Watchers: Automatic Simulation-Based Decision Support in Flood Management.

In this paper, we introduce a simulation-based approach to design protection plans for flood events. Existing solutions require a lot of computation time for an exhaustive search, or demand for a time-consuming expert supervision and steering. We present a faster alternative based on the automated control of multiple parallel simulation runs. Run Watchers are dedicated system components authorized to monitor simulation runs, terminate them, and start new runs originating from existing ones according to domain-specific rules. This approach allows for a more efficient traversal of the search space and overall performance improvements due to a re-use of simulated states and early termination of failed runs. In the course of search, Run Watchers generate large and complex decision trees. We visualize the entire set of decisions made by Run Watchers using interactive, clustered timelines. In addition, we present visualizations to explain the resulting response plans. Run Watchers automatically generate storyboards to convey plan details and to justify the underlying decisions, including those which leave particular buildings unprotected. We evaluate our solution with domain experts.

ViSlang: A System for Interpreted Domain-Specific Languages for Scientific Visualization.

Researchers from many domains use scientific visualization in their daily practice. Existing implementations of algorithms usually come with a graphical user interface (high-level interface), or as software library or source code (low-level interface). In this paper we present a system that integrates domain-specific languages (DSLs) and facilitates the creation of new DSLs. DSLs provide an effective interface for domain scientists avoiding the difficulties involved with low-level interfaces and at the same time offering more flexibility than high-level interfaces. We describe the design and implementation of ViSlang, an interpreted language specifically tailored for scientific visualization. A major contribution of our design is the extensibility of the ViSlang language. Novel DSLs that are tailored to the problems of the domain can be created and integrated into ViSlang. We show that our approach can be added to existing user interfaces to increase the flexibility for expert users on demand, but at the same time does not interfere with the user experience of novice users. To demonstrate the flexibility of our approach we present new DSLs for volume processing, querying and visualization. We report the implementation effort for new DSLs and compare our approach with Matlab and Python implementations in terms of run-time performance.

VAICo: visual analysis for image comparison.

Scientists, engineers, and analysts are confronted with ever larger and more complex sets of data, whose analysis poses special challenges. In many situations it is necessary to compare two or more datasets. Hence there is a need for comparative visualization tools to help analyze differences or similarities among datasets. In this paper an approach for comparative visualization for sets of images is presented. Well-established techniques for comparing images frequently place them side-by-side. A major drawback of such approaches is that they do not scale well. Other image comparison methods encode differences in images by abstract parameters like color. In this case information about the underlying image data gets lost. This paper introduces a new method for visualizing differences and similarities in large sets of images which preserves contextual information, but also allows the detailed analysis of subtle variations. Our approach identifies local changes and applies cluster analysis techniques to embed them in a hierarchy. The results of this process are then presented in an interactive web application which allows users to rapidly explore the space of differences and drill-down on particular features. We demonstrate the flexibility of our approach by applying it to multiple distinct domains.