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At least 19 records

Collaborative Exploration of Scientific Datasets Using Immersive and Statistical Visualization: Preprint

We discuss the value of collaborative, immersive visualization for the exploration of scientific datasets and review techniques and tools that have been developed and deployed at the National Renewable Energy Laboratory (NREL). We believe that collaborative visualizations linking statistical interfaces and graphics on laptops and high-performance computing (HPC) with 3D visualizations on immersive displays (head-mounted displays and large-scale immersive environments) enable scientific workflows that further rapid exploration of large, high-dimensional datasets by teams of analysts. We present a framework, PlottyVR, that blends statistical tools, general-purpose programming environments, and simulation with 3D visualizations. To contextualize this framework, we propose a categorization and loose taxonomy of collaborative visualization and analysis techniques. Finally, we describe how scientists and engineers have adopted this framework to investigate large, complex datasets.

collaborative visualization↗

Collaborative Exploration of Scientific Datasets Using Immersive and Statistical Visualization

We discuss the value of collaborative, immersive visualization for the exploration of scientific datasets and review techniques and tools that have been developed and deployed at the National Renewable Energy Laboratory (NREL). We believe that collaborative visualizations linking statistical interfaces and graphics on laptops and high-performance computing (HPC) with 3D visualizations on immersive displays (head-mounted displays and large-scale immersive environments) enable scientific workflows that further rapid exploration of large, high-dimensional datasets by teams of analysts. We present a framework, PlottyVR, that blends statistical tools, general-purpose programming environments, and simulation with 3D visualizations. To contextualize this framework, we propose a categorization and loose taxonomy of collaborative visualization and analysis techniques. Finally, we describe how scientists and engineers have adopted this framework to investigate large, complex datasets.

collaborative visualization↗

Multidimensional scaling informed by F -statistic: Visualizing grouped microbiome data with inference

Multidimensional scaling (MDS) is a widely used dimensionality reduction technique in microbial ecology data analysis that captures the multivariate structure of the data while preserving pairwise distances between samples. While improvements in MDS have enhanced the ability to reveal group-specific data patterns, these MDS-based methods require prior assumptions for inference, limiting their application in general microbiome analysis. Here, in this study, we introduce a new MDS-based ordination method, “F-informed MDS,” which configures the data distribution based on the F-statistic, the ratio of dispersion between groups sharing common and different characteristics. Using semisynthetic datasets, we demonstrate that the proposed method is robust to hyperparameter selection while maintaining statistical significance throughout the ordination process. Various quality metrics for evaluating dimensionality reduction confirm that F-informed MDS is comparable to state-of-the-art methods in preserving both local and global data structures. Its application to a diatom-associated bacterial community suggests the role of this new method in interpreting the community’s response to the host. Our approach offers a well-founded refinement of MDS that aligns with statistical test results, which can be beneficial for broader multidimensional data analyses in microbiology and ecology. This new visualization tool can be incorporated into standard microbiome data analyses.

Biological and medical sciences↗

A Comparison of Visual Statistics for the Image Enhancement of FORESITE Aerial Images with Those of Major Image Classes

Aerial images from the Follow-On Radar, Enhanced and Synthetic Vision Systems Integration Technology Evaluation (FORESITE) flight tests with the NASA Langley Research Center's research Boeing 757 were acquired during severe haze and haze/mixed clouds visibility conditions. These images were enhanced using the Visual Servo (VS) process that makes use of the Multiscale Retinex. The images were then quantified with visual quality metrics used internally with the VS. One of these metrics, the Visual Contrast Measure, has been computed for hundreds of FORESITE images, and for major classes of imaging--terrestrial (consumer), orbital Earth observations, orbital Mars surface imaging, NOAA aerial photographs, and underwater imaging. The metric quantifies both the degree of visual impairment of the original, un-enhanced images as well as the degree of visibility improvement achieved by the enhancement process. The large aggregate data exhibits trends relating to degree of atmospheric visibility attenuation, and its impact on limits of enhancement performance for the various image classes. Overall results support the idea that in most cases that do not involve extreme reduction in visibility, large gains in visual contrast are routinely achieved by VS processing. Additionally, for very poor visibility imaging, lesser, but still substantial, gains in visual contrast are also routinely achieved. Further, the data suggest that these visual quality metrics can be used as external standalone metrics for establishing performance parameters.

Johnson, Daniel J.↗

pmartR 2.0 : A Quality Control, Visualization, and Statistics Pipeline for Multiple Omics Datatypes

The pmartR (https://github.com/pmartR/pmartR) package was designed for the quality control (QC) and analysis of mass spectrometry (MS) data, tailored to specific characteristics of proteomic (isobaric or labelled), metabolomic, and lipidomic datasets. Since its initial release, the tool has been expanded to address the needs of its growing userbase and now includes QC and statistics for nuclear magnetic resonance (NMR) metabolomic data, and leverages the DESeq2, edgeR, and limma-voom R packages for some transcriptomic data analyses. These improvements have made progress towards a unified omics processing pipeline for ease of reporting and streamlined statistical purposes. The package’s statistics and visualization capabilities have also been expanded by adding support for paired data and by integrating pmartR with the trelliscopejs R package for the quick creation of trellis displays (https://github.com/hafen/trelliscopejs). Here, we present relevant examples of each of these enhancements to pmartR and highlight how each new feature benefits the omics community.

59 BASIC BIOLOGICAL SCIENCES↗

The Statistics of Visual Representation

The experience of retinex image processing has prompted us to reconsider fundamental aspects of imaging and image processing. Foremost is the idea that a good visual representation requires a non-linear transformation of the recorded (approximately linear) image data. Further, this transformation appears to converge on a specific distribution. Here we investigate the connection between numerical and visual phenomena. Specifically the questions explored are: (1) Is there a well-defined consistent statistical character associated with good visual representations? (2) Does there exist an ideal visual image? And (3) what are its statistical properties?

Jobson, Daniel J.↗

Feature extraction and classification algorithms for high dimensional data

Feature extraction and classification algorithms for high dimensional data are investigated. Developments with regard to sensors for Earth observation are moving in the direction of providing much higher dimensional multispectral imagery than is now possible. In analyzing such high dimensional data, processing time becomes an important factor. With large increases in dimensionality and the number of classes, processing time will increase significantly. To address this problem, a multistage classification scheme is proposed which reduces the processing time substantially by eliminating unlikely classes from further consideration at each stage. Several truncation criteria are developed and the relationship between thresholds and the error caused by the truncation is investigated. Next an approach to feature extraction for classification is proposed based directly on the decision boundaries. It is shown that all the features needed for classification can be extracted from decision boundaries. A characteristic of the proposed method arises by noting that only a portion of the decision boundary is effective in discriminating between classes, and the concept of the effective decision boundary is introduced. The proposed feature extraction algorithm has several desirable properties: it predicts the minimum number of features necessary to achieve the same classification accuracy as in the original space for a given pattern recognition problem; and it finds the necessary feature vectors. The proposed algorithm does not deteriorate under the circumstances of equal means or equal covariances as some previous algorithms do. In addition, the decision boundary feature extraction algorithm can be used both for parametric and non-parametric classifiers. Finally, some problems encountered in analyzing high dimensional data are studied and possible solutions are proposed. First, the increased importance of the second order statistics in analyzing high dimensional data is recognized. By investigating the characteristics of high dimensional data, the reason why the second order statistics must be taken into account in high dimensional data is suggested. Recognizing the importance of the second order statistics, there is a need to represent the second order statistics. A method to visualize statistics using a color code is proposed. By representing statistics using color coding, one can easily extract and compare the first and the second statistics.

Lee, Chulhee↗

Statistical dependency in visual scanning

A method to identify statistical dependencies in the positions of eye fixations is developed and applied to eye movement data from subjects who viewed dynamic displays of air traffic and judged future relative position of aircraft. Analysis of approximately 23,000 fixations on points of interest on the display identified statistical dependencies in scanning that were independent of the physical placement of the points of interest. Identification of these dependencies is inconsistent with random-sampling-based theories used to model visual search and information seeking.

Ellis, Stephen R.↗

Analyzing high dimensional data

Problems encountered in analyzing high dimensional data are discussed and possible solutions are proposed. The increased importance of second-order statistics in analyzing high dimensional data and the shortcoming of the minimum distance classifier in high dimensional data are recognized. By investigating characteristics of high dimensional data, it is shown that second-order statistics must be taken into account in high dimensional data. There is a need to represent second order statistics effectively. As the data dimensionality increases, it becomes more difficult to perceive and compare information present in statistics derived from data. In order to overcome this problem, a method to visualize statistics using color code is proposed. By representing statistics using a color code, the first and the second statistics can be more readily compared.

Lee, Chulhee↗

Investigation of Error Patterns in Geographical Databases

The objective of the research conducted in this project is to develop a methodology to investigate the accuracy of Airport Safety Modeling Data (ASMD) using statistical, visualization, and Artificial Neural Network (ANN) techniques. Such a methodology can contribute to answering the following research questions: Over a representative sampling of ASMD databases, can statistical error analysis techniques be accurately learned and replicated by ANN modeling techniques? This representative ASMD sample should include numerous airports and a variety of terrain characterizations. Is it possible to identify and automate the recognition of patterns of error related to geographical features? Do such patterns of error relate to specific geographical features, such as elevation or terrain slope? Is it possible to combine the errors in small regions into an error prediction for a larger region? What are the data density reduction implications of this work? ASMD may be used as the source of terrain data for a synthetic visual system to be used in the cockpit of aircraft when visual reference to ground features is not possible during conditions of marginal weather or reduced visibility. In this research, United States Geologic Survey (USGS) digital elevation model (DEM) data has been selected as the benchmark. Artificial Neural Networks (ANNS) have been used and tested as alternate methods in place of the statistical methods in similar problems. They often perform better in pattern recognition, prediction and classification and categorization problems. Many studies show that when the data is complex and noisy, the accuracy of ANN models is generally higher than those of comparable traditional methods.

Dryer, David↗

Coupling Visualization, Simulation, and Deep Learning for Ensemble Steering of Complex Energy Models

We describe a new framework that allows users to explore and steer ensembles of energy systems simulations by coupling multiple energy models and interactive visualization through a dataflow API. Through the visual interface, users can interactively explore complex parameter spaces populated by hundreds, or thousands, of simulation runs and interactively spawn new simulations to 'fill in' regions of interest in the parameter space. The computational and visualization capabilities reside within a general-purpose dataflow architecture for connecting producers of multidimensional timeseries data, such as energy simulations, with consumers of that data, whether they be visualizations, statistical analyses, or datastores. Fast computation and agile dataflow can enhance the engagement with energy simulations, allowing users to populate the parameter space in real time. However, many energy simulations are far too slow to provide an interactive response. To support interactive feedback, we are creating reduced-form simulations developed through machine learning techniques, which provide statistically sound estimates of the results of the full simulations at a fraction of the computational cost. These reduced-form simulations have response times on the order of seconds, suitable for real-time human-in-the-loop design and analysis. The approximation methods apply to a wide range of computational models, including supply-chain models, electric power grid simulations, and building models. Such reduced-form representations do not replace or re-implement existing simulations, but instead supplement them by enabling rapid scenario design and exploration for large ensembles of simulations. The improved understanding, facilitated by the reduced-form models, dataflow API, and visualization tools, allows researchers to better allocate computational resources to capture informative relationships within the system as well as provide a low-cost method for validating and quality-checking large-scale modeling efforts.

97 MATHEMATICS AND COMPUTING↗

Microstructure Generation via Generative Adversarial Network for Heterogeneous, Topologically Complex 3D Materials

Using a large-scale, experimentally captured 3D microstructure dataset, we implement the generative adversarial network (GAN) framework to learn and generate 3D microstructures of solid oxide fuel cell electrodes. The generated microstructures are visually, statistically, and topologically realistic, with distributions of microstructural parameters, including volume fraction, particle size, surface area, tortuosity, and triple phase boundary density, being highly similar to those of the original microstructure. These results are compared and contrasted with those from an established, grain-based generation algorithm (DREAM.3D). Importantly, simulations of electrochemical performance, using a locally resolved finite element model, demonstrate that the GAN generated microstructures closely match the performance distribution of the original, while DREAM.3D leads to significant differences. Finally, the ability of the generative machine learning model to recreate microstructures with high fidelity suggests that the essence of complex microstructures may be captured and represented in a compact and manipulatable form.

36 MATERIALS SCIENCE↗

Light scattering by V 4 O 7 film across the metal–insulator transition

The experimental study of the angle-resolved hemispherical light scattering by V 4 O 7 film within a broad temperature range across metal–insulator transition reveals complex structural reorganization of the film deposited on the c-cut sapphire crystal. The bidirectional scattering distribution function and the surface autocorrelation function were obtained from scattering data to visualize statistics of the spatially resolved contributions of optical inhomogeneities in normal and lateral directions to the surface. The measurements reveal an anisotropic surface roughness distribution due to the twinned domain structure, with significant anisotropy changes across the phase transition. The V 4 O 7 film deposited on sapphire leads to a polydomain structure, minimizing elastic strain energy with distinct multiscale distributions of surface domains. Near T c , the material shows the lowest roughness but the highest lateral disorder of the surface.

36 MATERIALS SCIENCE↗

MetaboDirect: an analytical pipeline for the processing of FT-ICR MS-based metabolomic data

Background: Microbiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking. Results: Here, we build on years of analytical experience with diverse sample types to develop MetaboDirect, an open-source, command-line-based pipeline for the analysis (e.g., chemodiversity analysis, multivariate statistics), visualization (e.g., Van Krevelen diagrams, elemental and molecular class composition plots), and presentation of direct injection high-resolution FT-ICR MS data sets after molecular formula assignment has been performed. When compared to other available FT-ICR MS software, MetaboDirect is superior in that it requires a single line of code to launch a fully automated framework for the generation and visualization of a wide range of plots, with minimal coding experience required. Among the tools evaluated, MetaboDirect is also uniquely able to automatically generate biochemical transformation networks (ab initio) based on mass differences (mass difference network-based approach) that provide an experimental assessment of metabolite connections within a given sample or a complex metabolic system, thereby providing important information about the nature of the samples and the set of microbial reactions or pathways that gave rise to them. Finally, for more experienced users, MetaboDirect allows users to customize plots, outputs, and analyses. Conclusion: Application of MetaboDirect to FT-ICR MS-based metabolomic data sets from a marine phage-bacterial infection experiment and a Sphagnum leachate microbiome incubation experiment showcase the exploration capabilities of the pipeline that will enable the research community to evaluate and interpret their data in greater depth and in less time. It will further advance our knowledge of how microbial communities influence and are influenced by the chemical makeup of the surrounding system. The source code and User’s guide of MetaboDirect are freely available through (https://github.com/Coayala/MetaboDirect) and (https://metabodirect.readthedocs.io/en/latest/), respectively.

54 ENVIRONMENTAL SCIENCES↗