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At least 217 records · Page 12

RCSB Protein Data Bank: visualizing groups of experimentally determined PDB structures alongside computed structure models of proteins

Recent advances in Artificial Intelligence and Machine Learning (e.g., AlphaFold, RosettaFold, and ESMFold) enable prediction of three-dimensional (3D) protein structures from amino acid sequences alone at accuracies comparable to lower-resolution experimental methods. These tools have been employed to predict structures across entire proteomes and the results of large-scale metagenomic sequence studies, yielding an exponential increase in available biomolecular 3D structural information. Given the enormous volume of this newly computed biostructure data, there is an urgent need for robust tools to manage, search, cluster, and visualize large collections of structures. Equally important is the capability to efficiently summarize and visualize metadata, biological/biochemical annotations, and structural features, particularly when working with vast numbers of protein structures of both experimental origin from the Protein Data Bank (PDB) and computationally-predicted models. Moreover, researchers require advanced visualization techniques that support interactive exploration of multiple sequences and structural alignments. This paper introduces a suite of tools provided on the RCSB PDB research-focused web portal RCSB. org, tailor-made for efficient management, search, organization, and visualization of this burgeoning corpus of 3D macromolecular structure data.

3D visualization↗

A Semi-Supervised Learning Method for the Identification of Bad Exposures in Large Imaging Surveys

As the data volume of astronomical imaging surveys rapidly increases, traditional methods for image anomaly detection, such as visual inspection by human experts, are becoming impractical. We introduce a machine-learning-based approach to detect poor-quality exposures in large imaging surveys, with a focus on the DECam Legacy Survey (DECaLS) in regions of low extinction (i.e., E ( B − V ) < 0.04 ). Our semi-supervised pipeline integrates a vision transformer (ViT), trained via self-supervised learning (SSL), with a k-Nearest Neighbor (kNN) classifier. We train and validate our pipeline using a small set of labeled exposures observed by surveys with the Dark Energy Camera (DECam). A clustering-space analysis of where our pipeline places images labeled in good and bad categories suggests that our approach can efficiently and accurately determine the quality of exposures. Applied to new imaging being reduced for DECaLS Data Release 11, our pipeline identifies 780 problematic exposures, which we subsequently verify through visual inspection. Being highly efficient and adaptable, our method offers a scalable solution for quality control in other large imaging surveys.

Luo, Yufeng (ORCID:0000000246230683)↗

Cloud Giovanni: Reining in Costs and Improving Performance with Analytical Data Stores Using Scalable Serverless Architecture

Giovanni is the Geospatial Interactive Online Visualization ANd aNalysis Infrastructure developed at NASA GES DISC which provides a simple and intuitive way to visualize, analyze, and access vast amounts of Earth science data. It receives large number of user requests each day for a variety of analysis and visualization services, which leads to the big data challenge of serving gradually increasing large data volumes with diverse statistical algorithms. We hereby propose a multi-dimensional accumulation method which provides fast and cost-efficient cloud analysis for diverse services including both area averaging and time averaging. This method involves the weighted volume integration over multiple variable dimensions (time and space), and is implemented in AWS using Athena providing serverless and highly scalable data analysis. Compared to the standard method, this approach dramatically reduced the computational time by order of magnitude with a minimal AWS cost incurred. For example, for a benchmark of 10-year area averaging over the 1x1 degree daily variable, the computational time was reduced from minutes to seconds, and the Athena cost is only $5 for 100,000 requests.

Zhang, Hailiang↗

Management of Operations under Visual Flight Rules in UTM for Disaster Response Missions

The disaster response domain has experienced an increased focus in recent years due to the rise in number and scale of events, lessons learned from past experience, and emerging technologies that make possible a more coordinated and effective response. As part of this focus, JAXA and NASA have been collaborating on the integration of manned and unmanned aircraft in support of disaster response operations through integrated testing of their respective mission planning and optimization system (Disaster Relief Aircraft Information Sharing Network, or D-NET) and an automated UAS traffic management system (e.g., UTM). In 2018, JAXA and NASA jointly participated in a large-scale disaster drill in Japan where the integration of systems was successfully demonstrated through real-time data exchanges, visualization, and decision making as part of the coordinated airspace management of a manned helicopter in VFR conditions and unmanned small UAS operating in common areas. This work details a flight test consisting of two flights that were conducted December 2019 near the Chofu Aerodrome in Tokyo, which focused on the evaluation of pilots operating under Visual Flight Rules (VFR) communicating through D-NET and sharing intent and position information within UTM. This work contributes to defining the necessary requirements for digital coordination between manned and unmanned operations. UTM requires the use of operation volumes, which are spatial and temporal volumes that encompass UAS flight trajectories and account for technical performance errors and deviations due to disturbances (e.g., wind). A series of flights, representing different missions, used landmark-based operation volumes and conformance of the aircraft to those operation volumes were tracked within UTM. Experienced disaster response helicopter pilots provided insight on the development of the operation plans and their usability during disaster response operations. Results from the flight test supported the suggested benefits of using landmarks for planning and positional awareness and highlighted the need for future research in advanced visualization capabilities to support operations that consider both system constraints and flight deck/airspace management interaction.

disaster response↗

Tools for Analysis and Visualization of Large Time-Varying CFD Data Sets

In the second year, we continued to built upon and improve our scanline-based direct volume renderer that we developed in the first year of this grant. This extremely general rendering approach can handle regular or irregular grids, including overlapping multiple grids, and polygon mesh surfaces. It runs in parallel on multi-processors. It can also be used in conjunction with a k-d tree hierarchy, where approximate models and error terms are stored in the nodes of the tree, and approximate fast renderings can be created. We have extended our software to handle time-varying data where the data changes but the grid does not. We are now working on extending it to handle more general time-varying data. We have also developed a new extension of our direct volume renderer that uses automatic decimation of the 3D grid, as opposed to an explicit hierarchy. We explored this alternative approach as being more appropriate for very large data sets, where the extra expense of a tree may be unacceptable. We also describe a new approach to direct volume rendering using hardware 3D textures and incorporates lighting effects. Volume rendering using hardware 3D textures is extremely fast, and machines capable of using this technique are becoming more moderately priced. While this technique, at present, is limited to use with regular grids, we are pursuing possible algorithms extending the approach to more general grid types. We have also begun to explore a new method for determining the accuracy of approximate models based on the light field method described at ACM SIGGRAPH '96. In our initial implementation, we automatically image the volume from 32 equi-distant positions on the surface of an enclosing tessellated sphere. We then calculate differences between these images under different conditions of volume approximation or decimation. We are studying whether this will give a quantitative measure of the effects of approximation. We have created new tools for exploring the differences between images produced by various rendering methods. Images created by our software can be stored in the SGI RGB format. Our idtools software reads in pair of images and compares them using various metrics. The differences of the images using the RGB, HSV, and HSL color models can be calculated and shown. We can also calculate the auto-correlation function and the Fourier transform of the image and image differences. We will explore how these image differences compare in order to find useful metrics for quantifying the success of various visualization approaches. In general, progress was consistent with our research plan for the second year of the grant.

Wilhelms, Jane↗

Ultrascale Visualization of Climate Data

Fueled by exponential increases in the computational and storage capabilities of high-performance computing platforms, climate simulations are evolving toward higher numerical fidelity, complexity, volume, and dimensionality. These technological breakthroughs are coming at a time of exponential growth in climate data, with estimates of hundreds of exabytes by 2020. To meet the challenges and exploit the opportunities that such explosive growth affords, a consortium of four national laboratories, two universities, a government agency, and two private companies formed to explore the next wave in climate science. Working in close collaboration with domain experts, the Ultrascale Visualization Climate Data Analysis Tools (UV-CDAT) project aims to provide high-level solutions to a variety of climate data analysis and visualization problems.

analysis tools↗

Volumetric Density-Equalizing Reference Map with Applications

The density-equalizing map, a technique developed for cartogram creation, has been widely applied to data visualization but only for 2D applications. Here, we propose a novel method called the volumetric density-equalizing reference map (VDERM) for computing density-equalizing map for volumetric domains. Given a prescribed density distribution in a volumetric domain in $\mathbb{R}^3$, the proposed method continuously deforms the domain, with different volume elements enlarged or shrunk according to the density distribution. With the aid of the proposed method, medical and sociological data can be visualized via deformations of 3D objects. The method can also be applied to adaptive remeshing and shape modeling. Furthermore, by exploiting the time-dependent nature of the proposed method, applications to shape morphing can be easily achieved. Experimental results are presented to demonstrate the effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING↗

Turbulent Processes that Influence Boundary-Layer Cloud Structure (Final Technical Report)

Many models of the atmosphere simulate vertical profiles of observable fields, such as temperature, moisture, and vertical velocity. To assess the realism of such model output, it is important to evaluate the modeled profiles against observations. However, many extant evaluations consist of comparing time averaged profiles from the model and the observations. Such time averages can smooth out unrealistic features that appear in instantaneous profiles. In this way, the time averages may obscure certain model errors from detection. For instance, many models misrepresent turbulent processes, leading to profiles that are too smoothed out or too noisy. E.g., if a model has coarse vertical resolution and overly strong diffusion, then the model may be unable to produce observed sharp peaks. On the other hand, a model may have artificial approximations that produce spurious jumps in the vertical. Much can be learned by browsing through instantaneous snapshots of model output. But the volume of output produced by a global model is far too great to rely purely on visual inspection. In addition, we need a way to statistically characterize the profiles, so that anomalies can be detected more conveniently.

54 ENVIRONMENTAL SCIENCES↗

Wavelet-Based Interpolation and Representation of Non-Uniformly Sampled Spacecraft Mission Data

A well-documented problem in the analysis of data collected by spacecraft instruments is the need for an accurate, efficient representation of the data set. The data may suffer from several problems, including additive noise, data dropouts, an irregularly-spaced sampling grid, and time-delayed sampling. These data irregularities render most traditional signal processing techniques unusable, and thus the data must be interpolated onto an even grid before scientific analysis techniques can be applied. In addition, the extremely large volume of data collected by scientific instrumentation presents many challenging problems in the area of compression, visualization, and analysis. Therefore, a representation of the data is needed which provides a structure which is conducive to these applications. Wavelet representations of data have already been shown to possess excellent characteristics for compression, data analysis, and imaging. The main goal of this project is to develop a new adaptive filtering algorithm for image restoration and compression. The algorithm should have low computational complexity and a fast convergence rate. This will make the algorithm suitable for real-time applications. The algorithm should be able to remove additive noise and reconstruct lost data samples from images.

Bose, Tamal↗

A simple method for quantitating the propensity for calcium oxalate crystallization in urine

To assess the propensity for spontaneous crystallization of calcium oxalate in urine, the permissible increment in oxalate is calculated. The previous method required visual observation of crystallization with the addition of oxalate, this warranted the need for a large volume of urine and a sacrifice in accuracy in defining differences between small incremental changes of added oxalate. Therefore, this method has been miniaturized and spontaneous crystallization is detected from the depletion of radioactive oxalate. The new "micro" method demonstrated a marked decrease (p < 0.001) in the permissible increment in oxalate in urine of stone formers versus normal subjects. Moreover, crystallization inhibitors added to urine, in vitro (heparin or diphosphonate) or in vivo (potassium citrate administration), substantially increased the permissible increment in oxalate. Thus, the "micro" method has proven reliable and accurate in discriminating stone forming from control urine and in distinguishing changes of inhibitory activity.

NASA Discipline Regulatory Physiology↗

HEALPix: A Framework for High-Resolution Discretization and Fast Analysis of Data Distributed on the Sphere

HEALPix the Hierarchical Equal Area isoLatitude Pixelization is a versatile structure for the pixelization of data on the sphere. An associated library of computational algorithms and visualization software supports fast scientific applications executable directly on discretized spherical maps generated from very large volumes of astronomical data. Originally developed to address the data processing and analysis needs of the present generation of cosmic microwave background experiments (e.g., BOOMERANG, WMAP), HEALPix can be expanded to meet many of the profound challenges that will arise in confrontation with the observational output of future missions and experiments, including, e.g., Planck, Herschel, SAFIR, and the Beyond Einstein inflation probe. In this paper we consider the requirements and implementation constraints on a framework that simultaneously enables an efficient discretization with associated hierarchical indexation and fast analysis/synthesis of functions defined on the sphere. We demonstrate how these are explicitly satisfied by HEALPix.

cosmic microwave background↗

Generation of Parametric Equivalent-Area Targets for Design of Low-Boom Supersonic Concepts

A tool with an Excel visual interface is developed to generate equivalent-area (A(sub e)) targets that satisfy the volume constraints for a low-boom supersonic configuration. The new parametric Ae target explorer allows users to interactively study the tradeoffs between the aircraft volume constraints and the low-boom characteristics (e.g., loudness) of the ground signature. Moreover, numerical optimization can be used to generate the optimal A(sub e) target for given A(sub e) volume constraints. A case study is used to demonstrate how a generated low-boom Ae target can be matched by a supersonic configuration that includes a fuselage, wing, nacelle, pylon, aft pod, horizontal tail, and vertical tail. The low-boom configuration is verified by sonic-boom analysis with an off-body pressure distribution at three body lengths below the configuration

Li, Wu↗

Differences in the hemodynamic response to event-related motor and visual paradigms as measured by near-infrared spectroscopy

Several current brain imaging techniques rest on the assumption of a tight coupling between neural activity and hemodynamic response. The nature of this neurovascular coupling, however, is not completely understood. There is some evidence for a decoupling of these processes at the onset of neural activity, which manifests itself as a momentary increase in the relative concentration of deoxyhemoglobin (HbR). The existence of this early component of the hemodynamic response function, however, is controversial, as it is inconsistently found. Near infrared spectroscopy (NIRS) allows quantification of levels of oxyhemoglobin (HbO(2)) and HbR during task performance in humans. We acquired NIRS data during performance of simple motor and visual tasks, using rapid-presentation event-related paradigms. Our results demonstrate that rapid, event-related NIRS can provide robust estimates of the hemodynamic response without artifacts due to low-frequency signal components, unlike data from blocked designs. In both the motor and visual data the onset of the increase in HbO(2) occurs before HbR decreases, and there is a poststimulus undershoot. Our results also show that total blood volume (HbT) drops before HbO(2) and undershoots baseline, raising a new issue for neurovascular models. We did not find early deoxygenation in the motor data using physiologically plausible values for the differential pathlength factor, but did find one in the visual data. We suggest that this difference, which is consistent with functional magnetic resonance imaging (fMRI) data, may be attributable to different capillary transit times in these cortices.

NASA Program Biomedical Research and Countermeasur↗

Metrology-based Techniques for Optical System Alignment for the OSIRIS-Rx Visual and InfraRed Spectrometer

The alignment, integration, and test group (AI&T) in the optics branch at NASA Goddard Space Flight Center (GSFC) specializes in optical and opto-mechanical alignment and metrology for project ranging from building and testing instrument such as spectrometers and cameras to larger structures such as telescopes to large volume metrology and alignment at the observatory level for spacecraft payloads. One of the projects that involved the support of the AI&T group was the OSIRIS-Rex Visual and Infra-Red Spectrometer (OVIRS) for the Origins-Spectral Interpretation-Resource Identification-Security-Regolith Explorer (OSIRIS-Rex) mission. The purpose of this report is to outline the tools, methods, and approaches to metrology utilized by the AI&T group and how they were applied specifically to the optical alignment of the elements on OVIRS during the ambient I&T phase.

Young, Jerrod↗

Quantification of morphological change in materials based on image data utilizing machine learning techniques

Computed tomography (CT) resolution has become high enough to monitor morphological changes due to aging in materials in long-term applications. We explored the utility of the critic of a generative adversarial network (GAN) to automatically detect such changes. The GAN was trained with images of pristine Pharmatose, which is used as a surrogate energetic material. It is important to note that images of the material with altered morphology were only used during the test phase. The GAN-generated images visually reproduced the microstructure of Pharmatose well, although some unrealistic particle fusion was seen. Calculated morphological metrics (volume fraction, interfacial line length, and local thickness) for the synthetic images also showed good agreement with the training data, albeit with signs of mode collapse in the interfacial line length. While the critic exposed changes in particle size, it showed limited ability to distinguish images by particle shape. The detection of shape differences was also a more challenging task for the selected morphological metrics that related to energetic material performance. We further tested the critic with images of aged Pharmatose. Subtle changes due to aging are difficult for the human analyst to detect. Both critic and morphological metrics analysis showed image differentiation.

36 MATERIALS SCIENCE↗

The chemical composition of comets and possible contribution to planet composition and evolution

The theory of cold aggregation of interstellar dust into comets is shown to support the ideas that comets provided not only a substantial part of the earth's water but also of its complex organic surface material. Comparison of the density of interstellar dust with meteor densities leads to the conclusion that comets are very fluffy bodies whose solid matter occupies no more than 2/5 of the total volume and possibly substantially less. This implies an extremely low comet albedo of about 0.05 in the visual even for slightly absorbing individual components.

Greenberg, J. Mayo↗

CAPRI: Using a Geometric Foundation for Computational Analysis and Design

CAPRI (Computational Analysis Programming Interface) is a software development tool intended to make computerized design, simulation and analysis faster and more efficient. The computational steps traditionally taken for most engineering analysis (Computational Fluid Dynamics (CFD), structural analysis, etc.) are: Surface Generation, usually by employing a Computer Aided Design (CAD) system; Grid Generation, preparing the volume for the simulation; Flow Solver, producing the results at the specified operational point; Post-processing Visualization, interactively attempting to understand the results. It should be noted that the structures problem is more tractable than CFD; there are fewer mesh topologies used and the grids are not as fine (this problem space does not have the length scaling issues of fluids). For CFD, these steps have worked well in the past for simple steady-state simulations at the expense of much user interaction. The data was transmitted between phases via files. In most cases, the output from a CAD system could go IGES files. The output from Grid Generators and Solvers do not really have standards though there are a couple of file formats that can be used for a subset of the gridding (i.e. PLOT3D) data formats and the upcoming CGNS). The user would have to patch up the data or translate from one format to another to move to the next step. Sometimes this could take days. Instead of the serial approach to analysis, CAPRI takes a geometry centric approach. CAPRI is a software building tool-kit that refers to two ideas: (1) A simplified, object-oriented, hierarchical view of a solid part integrating both geometry and topology definitions, and (2) programming access to this part or assembly and any attached data. The connection to the geometry is made through an Application Programming Interface (API) and not a file system.

Haimes, Robert↗

Visible and Infrared Imaging of Various Flow Regimes in the Flow Boiling and Condensation Experiment Transfer Line

The Flow Boiling and Condensation Experiment (FBCE) Transfer Line (TL) test module is being developed to study fluid physics of cryogenic transfer lines in microgravity. The TL module will reside in the FBCE facility located within the Fluids Integration Rack (FIR) aboard the International Space Station (ISS). TL will use the same normal perfluoro hexane (nPFH) used in the previous FBCE test sections. To simulate cryogenic line transfer in the visualization section, a sapphire tube coated with indium tin oxide (ITO) is heated via Joule heated while a bypass line is used to flow liquid nPFH at the desired inlet conditions. Once the visualization line reaches steady-state temperature and pressure conditions, flow is diverted through the heated line and chilldown begins. All flow regimes observed within a cryogenic TL are created and studied using visible imaging with diffuse backlighting to image inverted annular flow, transition, and nucleate boiling. A visible laser light sheet provided by FIR will provide a means to observe and track droplets in the dispersed flow regime. IR imaging of the visualization tube outer surface with the emissivity of the ITO coating provides the surface chilldown temperature profile. Preliminary imaging system development includes some of the components used in the Flow Boiling Module (FBM) and some new components that are easily integrated into the PC-based system but will require some refinement to operate properly on the FIR PCIe/104 imaging system. Optical design and packaging within the limited volume of the module enclosure is also presented. This paper presents FBCE-TL visible and infrared laboratory-based imaging studies and anticipated visualization capabilities of the TL module under preliminary breadboard development and under the utilization constraints within the FBCE/FIR host facility.

transfer line↗