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At least 163 records · Page 9

Transforming Energy Through Computational Excellence: A View From NREL

At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.

97 MATHEMATICS AND COMPUTING↗

Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data

Orthogonal separations of data from high-resolution mass spectrometry can provide insight into sample composition and address challenges of complete annotation of molecules in untargeted metabolomics. “Molecular networks” (MNs), as used in the Global Natural Products Social Molecular Networking platform, are a prominent strategy for exploring and visualizing molecular relationships and improving annotation. MNs are mathematical graphs showing the relationships between measured multidimensional data features. MNs also show promise for using network science algorithms to automatically identify targets for annotation candidates and to dereplicate features associated with a single molecular identity. Here, this paper introduces “molecular hypernetworks” (MHNs) as more complex MN models able to natively represent multiway relationships among observations. Compared to MNs, MHNs can more parsimoniously represent the inherent complexity present among groups of observations, initially supporting improved exploratory data analysis and visualization. MHNs also promise to increase confidence in annotation propagation, for both human and analytical processing. We first illustrate MHNs with simple examples, and build them from liquid chromatography- and ion mobility spectrometry-separated MS data. We then describe a method to construct MHNs directly from existing MNs as their “clique reconstructions”, demonstrating their utility by comparing examples of previously published graph-based MNs to their respective MHNs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

RadLab: A Comprehensive Database and Analysis Toolkit for Space Radiation Measurements Relevant to Space Radiation Biology

RadLab, a new addition to the NASA Open Science Data Repository (OSDR), is a public platform for space radiation data relevant to human space exploration. RadLab consists of a database, a submission portal, and user-friendly visualization and data analysis tools, including a graphical user interface (GUI) and an application programming interface (API). Investigators from ISS partners including Germany, Italy, Canada, Hungary, the Czech Republic, Russia, Japan have committed to providing data from their instruments. RadLab will also include data from other spacecraft in LEO: the Space Shuttle, the Mir space station, biosatellites; and beyond LEO: the lunar and the Martian surface, the heliocentric orbit at 1 AU, Mars orbit, and Earth-Mars space. Once fully operational, RadLab will provide open, centralized access to space radiation physics data relevant to human space exploration; a platform for submission of data by agencies and research institutions responsible for radiation detectors deployed in space; analysis tools to facilitate detector and dataset intercomparison to better understand space habitat radiation environments; capabilities for space biology investigators to determine the radiation environment to which samples were exposed. A RadLab Working Group (RLWG) has been formed, modeled on the GeneLab Analysis Working Groups and comprised of data contributors and users. RLWG tasks include identifying data sources, normalizing data from diverse detectors, expanding the analysis toolkit and, perhaps most importantly, sharing ideas for research exploiting capabilities of RadLab. We will provide an overview of RadLab data and capabilities and discuss examples of its potential as a resource for open science.

radiation↗

Modern Era Retrospective Restrospective-Analysis for Research and Applications (MERRA) Data and Services at the GES DISC

The Modern Era Retrospective-analysis for Research and Applications (MERRA) dataset is a NASA satellite era, 30 year (1979 - present), reanalysis using the Goddard Earth Observing System Data Assimilation System, Version 5 (GEOS-5). The project, run out of NASA's Global Modeling and Assimilation Office at Goddard Space Flight Center, provides the science and application communities with a state-of-the-art global analysis with emphasis on improved estimates of the hydrological cycle over a broad range of weather and climate time scales. MERRA products are generated as a long-term synthesis that places the NASA EOS suite of observations in a climate context. The MERRA analysis is performed at a horizontal resolution of 2/3 longitude x 1/2 latitude (540x361 global gridpoints) with observational analyses every 6 hours. The MERRA output data will include 3 dimensional state fields for every 6 hourly analysis cycle on 42 pressure levels (or 72 terrain following model coordinate levels) from the surface through the stratosphere. Several data products are specifically designed to support chemistry and stratosphere transport modeling. The 2 dimensional surface and atmospheric diagnostics (numbering 259) are being stored on the native grid at 1 hourly intervals. These include radiation and vertical integrals of the atmosphere for water and energy budget studies and also surface diagnostics where the diurnal cycle is important. The one hourly surface and near surface data product will also facilitate research on the integrated analysis of Earth system observations in the land, ocean and cryosphere. The MERRA products are archived and distributed by the Goddard Earth Sciences Data and Information Services Center (GES DISC) through its Modeling DISC Web (MDISC) portal. Multiple data access methods and services are available for MERRA data through MDISC: (1) Mirador offers a quick, comprehensive search of MERRA and all GES DISC archived data holdings, allowing searches on keywords, location names or latitude/longitude box, and date/time, with responses within a few seconds. (2) Giovanni is a GES DISC developed Web application that provides data visualization and analysis online. Giovanni features popular visualizations such as latitude-longitude maps, animations, cross sections, profiles, time series, etc. and some basic statistical analysis functions such as scatter plots and correlation coefficient maps. Users are able to download results in several different formats, including Google Earth. (3) On-the-fly parameter subsetting of data within a spatial/temporal window is provided through a simple select and click Web page. (4) MERRA data are also available via OPeNDAP, GrADS Data Server (GDS) and can be converted to netCDF on the fly.

Berrick, Stephen W.↗

The computer treatment of remotely sensed data: An introduction to techniques which have geologic applications

Several aspects of computer-assisted analysis techniques for image enhancement and thematic classification by which LANDSAT MSS imagery may be treated quantitatively are explained. On geological applications, computer processing of digital data allows, possibly, the fullest use of LANDSAT data, by displaying enhanced and corrected data for visual analysis and by evaluating and assigning each spectral pixel information to a given class.

Parada, N. D. J.↗

The NASA NEESPI Data Portal: Products, Information, and Services

Studies have indicated that land cover and use changes in Northern Eurasia influence global climate system. However, the procedures are not fully understood and it is challenging to understand the interactions between the land changes in this region and the global climate. Having integrated data collections form multiple disciplines are important for studies of climate and environmental changes. Remote sensed and model data are particularly important die to sparse in situ measurements in many Eurasia regions especially in Siberia. The NASA GES DISC (Goddard Earth Sciences Data and Information Services Center) NEESPI data portal has generated infrastructure to provide satellite remote sensing and numerical model data for atmospheric, land surface, and cryosphere. Data searching, subsetting, and downloading functions are available. ONe useful tool is the Web-based online data analysis and visualization system, Giovanni (Goddard Interactive Online Visualization ANd aNalysis Infrastructure), which allows scientists to assess easily the state and dynamics of terrestrial ecosystems in Northern Eurasia and their interactions with global climate system. Recently, we have created a metadata database prototype to expand the NASA NEESPI data portal for providing a venue for NEESPI scientists fo find the desired data easily and leveraging data sharing within NEESPI projects. The database provides product level information. The desired data can be found through navigation and free text search and narrowed down by filtering with a number of constraints. In addition, we have developed a Web Map Service (WMS) prototype to allow access data and images from difference data resources.

Shen, Suhung↗

Interpretation of HCMM images: A regional study

Potential users of HCMM data, especially those with only a cursory background in thermal remote sensing are familiarized with the kinds of information contained in the images that can be extracted with some reliability solely from inspection of such standard products as those generated at NASA/GSFC and now achieved in the National Space Science Data Center. Visual analysis of photoimagery is prone to various misimpressions and outright errors brought on by unawareness of the influence of physical factors as well as by sometimes misleading tonal patterns introduced during photoprocessing. The quantitative approach, which relies on computer processing of digital HCMM data, field measurements, and integration of rigorous mathematical models, can usually be used to identify, compensate for, or correct the contributions from at least some of the natural factors and those associated with photoprocessing. Color composite, day-IR, night-IR and visible images of California and Nevada are examined.

Source record↗

GRIDVIEW: Recent Improvements in Research and Education Software for Exploring Mars Topography

GRIDVIEW is being developed by the GEODYNAMICS Branch at NASA's Goddard Space Flight Center and can be downloaded on the web at http://geodynamics.gsfc.nasa.gov/gridview/. The program is very mature and has been successfully used for more than four years, but is still under development as we add new features for data analysis and visualization. The software can run on any computer supported by the IDL virtual machine application supplied by RSI. The virtual machine application is currently available for recent versions of MS Windows, MacOS X, Red Hat Linux and UNIX. Minimum system memory requirement is 32 MB, however loading large data sets may require larger amounts of RAM to function adequately.

Roark, J. H.↗

Optimizing inference of segmentation on high-resolution images in MLExchange

MLExchange is a machine learning (ML) operations platform providing web user-interfaces (UIs) for data visualization and analysis pipelines at synchrotron facilities. Among these UIs is the segmentation app which helps synchrotron users utilize ML algorithms to automatically segment high-resolution scientific images with minimal manual annotation effort. In this work, we share code optimizations that significantly speed up the segmentation inference workflow of large data in short time. By optimizing the sequence of CPU-GPU data transfers and introducing CPU parallelization to key operations, we improve the per-device, per-image frame computational efficiency and observe close to 3×$$\times$$ speedup over the original segmentation inference workflow run time when utilizing a single GPU. Further adaptations enabling multi-GPU inference yield more than 40×$$\times$$ speedup with 100 GPUs compared to the optimized single GPU inference workflow. This acceleration of the segmentation inference workflow will provide MLExchange users with easy access to segmentation results with little wait time.

Lu, Shizhao↗

Processes in DNA damage response from a whole-cell multi-omics perspective

Technological advances have made it feasible to collect multi-condition multi-omic time courses of cellular response to perturbation, but the complexity of these datasets impedes discovery due to challenges in data management, analysis, visualization, and interpretation. Here, we report a whole-cell mechanistic analysis of HL-60 cellular response to bendamustine. We integrate both enrichment and network analysis to show the progression of DNA damage and programmed cell death over time in molecular, pathway, and process-level detail using an interactive analysis framework for multi-omics data. Our framework, Mechanism of Action Generator Involving Network analysis (MAGINE), automates network construction and enrichment analysis across multiple samples and platforms, which can be integrated into our annotated gene-set network to combine the strengths of networks and ontology-driven analysis. Taken together, our work demonstrates how multi-omics integration can be used to explore signaling processes at various resolutions and demonstrates multi-pathway involvement beyond the canonical bendamustine mechanism.

59 BASIC BIOLOGICAL SCIENCES↗

Lunar Science for Landed Missions - High-Priority Landing Sites Visualized with NASA's Moon Trek

The Lunar Science for Landed Missions workshop was held on 10–12 January, 2018 at NASA Ames Research Center and was attended by lunar scientists, representatives from commercial companies, and representative of various international space agencies including the Japan Aerospace Exploration Agency and the European Space Agency. The workshop was cosponsored by the Solar System Exploration Research Virtual Institute (SSERVI) and the Lunar Exploration Analysis Group (LEAG). The primary goal of the workshop was to produce a set of high‐priority landing site targets, generated by the lunar science community, for near‐term lunar missions. The scope of such missions was aimed primarily, but not exclusively, at commercial exploration companies with interests in pursuing ventures on the surface of the Moon. The results of this workshop were published in a report that summarized the findings of the workshop and provided an analysis of priority landing sites and how missions to these sites would meet key science and exploration goals determined by NASA and the scientific community (Jawin, et al, 2019). This presentation for JpGU will review the landing sites advocated by the workshop, highlight characteristics that make them high-priority sites, and showcase the sites using visualizations generated using NASA’s Moon Trek data visualization and analysis portal (Day and Law, 2017).

Day, Brian↗

Utah FORGE: Fault Reactivation Through Fluid Injection Induced Seismicity Laboratory Experiments

Included are results from shear reactivation experiments on laboratory faults pre-loaded close to failure and reactivated by the injection of fluid into the fault. The sample comprises a single-inclined-fracture (SIF) transecting a cylindrical sample of Westerly granite. All experiments are conducted at ambient temperature and follow a similar protocol: (i) application of confining stresses (3MPa) on the fault fully saturated with DI water, (ii) shear-mobilization through the increase of axial loading at a constant displacement rate until a post-peak steady-state condition is reached, (iii) reduction of axial loading and related shear stress to a prescribed fraction of the peak steady-state frictional strength (typically 60% to 90%, representing intermediate to high magnitudes) and (iv), fault reactivation triggered by a stepwise increase of pore pressure on the fault in 0.1 MPa increments held constant for 1-5 minutes. Mechanical data from three ISCO pumps connected to a Temco pressure vessel measure axial, confining, and fault-related parameters, including fluid pressure (kPa), fluid flow rate (mL/min), and axial displacement (mm). See included code for initial data analysis and visualization for select experiments. Resource names represent experiment numbers found in the "Read Me" file, which describes each experimental setup and parameters.

15 GEOTHERMAL ENERGY↗

Real-Time Cognitive Computing Architecture for Data Fusion in a Dynamic Environment

A novel cognitive computing architecture is conceptualized for processing multiple channels of multi-modal sensory data streams simultaneously, and fusing the information in real time to generate intelligent reaction sequences. This unique architecture is capable of assimilating parallel data streams that could be analog, digital, synchronous/asynchronous, and could be programmed to act as a knowledge synthesizer and/or an "intelligent perception" processor. In this architecture, the bio-inspired models of visual pathway and olfactory receptor processing are combined as processing components, to achieve the composite function of "searching for a source of food while avoiding the predator." The architecture is particularly suited for scene analysis from visual data and odorant.

Duong, Tuan A.↗

Caerbannog Point Clouds

The Caerbannog Point Clouds provide point-sampled 3D models occluded in clouds of points. We synthesized the 3D point clouds from polygonal models, point-sampling the models and surrounding them in a point cloud such that the shape of the model is occluded in any 2D projection. We obscure our model-of-interest by repeatedly surrounding it with an amorphous cloud of points, giving the overall point cloud a structure of organic nature, like that of shrubbery. In a user study, participants were significantly better at identifying the models when visualized as 3D scatterplots under rotation than in axis-aligned 2D scatterplots. We provide three point-clouds, both occluded and unoccluded: the Stanford bunny, Utah Teapot, and OSG Cow.

97 MATHEMATICS AND COMPUTING↗

Restructuring Big Data to Improve Data Access and Performance in Analytic Services Making Research More Efficient for the Study of Extreme Weather Events and Application User Communities

By developing and enhancing various services and tools, the GES DISC provides users with the capability to access and visualize data, and to make comparisons of data from multiple sensor and models via a number of cross-discipline projects. Discovering Data via Faceted Web Interface Web interface to data products and services Search and Download mechanisms Dataset Landing Pages Accessing Data through Interoperable Services: GDS – GrADS Data Server OPeNDAP - Open-source Project for a Network Data Access Protocol WMS – OGC service GIS connector – allowing IS tools to access data easier (coming soon) HTTPS -- direct online access Downloading Data Basics: Subset and egridding Service – Parameter, Spatial, Time, Vertical, Mean averaging, format conversion, and regridding for L3/L4 gridded data Swath Data Subsetter – Parameter, spatial subset of L2 /L1 data. Visualizing Data Online: Giovanni –Visualization and Analysis L3/L4 gridded data AIRS NRT Viewer – AIRS near-real-time DQVis – L2 data quality visualization

data cube↗

Southern Bhutan Ecological Forecasting Tech Paper: Modeling Asian Elephant (Elephas maximus) Habitat Suitability along the Southern Bhutan Border with NASA Earth Observations

Asian elephants (Elephas maximus) are a flagship species essential for the functioning of forest ecosystems, and they also have cultural significance in Bhutan. Elephants receive the highest legal protection as listed under Schedule I of the Bhutan Forests and Nature Conservation Act, 1995. Yet, they face threats of extinction due to poaching for ivory as well as the loss and fragmentation of their habitat. Due to the recent clearing of forests and the growing populations in these areas, there has been an increase in incidents of human-elephant conflict. These conflicts have been detrimental to farmer’s annual harvests and livelihoods and have led to retaliatory killing and injury of elephants in southern Bhutan. The DEVELOP Southern Bhutan Ecological Forecasting team partnered with the Bhutan Foundation and Bhutan Tiger Center to help address this problem. The team integrated NASA Earth observations, including Landsat 5 Thematic Mapper (TM), Landsat 8 Operational Land Imager (OLI), Terra Moderate Resolution Imaging Spectroradiometer (MODIS), and the Shuttle Radar Topography Mission (SRTM) to acquire information on land cover change and elephant habitat suitability along the southern border of Bhutan. The team utilized Esri ArcGIS Pro and Software for Assisted Habitat Modeling (SAHM) for data analysis, modeling, and visualization. The team used elephant occurrence data and environmental variables to model current habitat suitability for migrating elephant populations. This analysis provided partners with maps to inform decisions about the placement and conservation of elephant corridors and helped build their capacity to use satellite data for future studies and project planning.

Palchen Wangchuk↗

Southern Bhutan Ecological Forecasting Project Summary - Modeling Asian Elephant (Elephas Maximus) Habitat Suitability along the Southern Bhutan Border with NASA Earth Observations

Asian elephants (Elephas maximus) are a flagship species essential for the functioning of forest ecosystems, and they also have cultural significance in Bhutan. Elephants receive the highest legal protection as listed under Schedule I of the Bhutan Forests and Nature Conservation Act, 1995. Yet, they face threats of extinction due to poaching for ivory as well as the loss and fragmentation of their habitat. Due to the recent clearing of forests and the growing populations in these areas, there has been an increase in incidents of human-elephant conflict. These conflicts have been detrimental to farmer’s annual harvests and livelihoods and have led to retaliatory killing and injury of elephants in southern Bhutan. The DEVELOP Southern Bhutan Ecological Forecasting team partnered with the Bhutan Foundation and Bhutan Tiger Center to help address this problem. The team integrated NASA Earth observations, including Landsat 5 Thematic Mapper (TM), Landsat 8 Operational Land Imager (OLI), Terra Moderate Resolution Imaging Spectroradiometer (MODIS), and the Shuttle Radar Topography Mission (SRTM) to acquire information on land cover change and elephant habitat suitability along the southern border of Bhutan. The team utilized Esri ArcGIS Pro and Software for Assisted Habitat Modeling (SAHM) for data analysis, modeling, and visualization. The team used elephant occurrence data and environmental variables to model current habitat suitability for migrating elephant populations. This analysis provided partners with maps to inform decisions about the placement and conservation of elephant corridors and helped build their capacity to use satellite data for future studies and project planning.

DEVELOP Project Summary↗