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NASA NTRS2002

High-Efficiency High-Resolution Global Model Developments at the NASA Goddard Data Assimilation Office

The Data Assimilation Office (DAO) has been developing a new generation of ultra-high resolution General Circulation Model (GCM) that is suitable for 4-D data assimilation, numerical weather predictions, and climate simulations. These three applications have conflicting requirements. For 4-D data assimilation and weather predictions, it is highly desirable to run the model at the highest possible spatial resolution (e.g., 55 kin or finer) so as to be able to resolve and predict socially and economically important weather phenomena such as tropical cyclones, hurricanes, and severe winter storms. For climate change applications, the model simulations need to be carried out for decades, if not centuries. To reduce uncertainty in climate change assessments, the next generation model would also need to be run at a fine enough spatial resolution that can at least marginally simulate the effects of intense tropical cyclones. Scientific problems (e.g., parameterization of subgrid scale moist processes) aside, all three areas of application require the model's computational performance to be dramatically improved as compared to the previous generation. In this talk, I will present the current and future developments of the "finite-volume dynamical core" at the Data Assimilation Office. This dynamical core applies modem monotonicity preserving algorithms and is genuinely conservative by construction, not by an ad hoc fixer. The "discretization" of the conservation laws is purely local, which is clearly advantageous for resolving sharp gradient flow features. In addition, the local nature of the finite-volume discretization also has a significant advantage on distributed memory parallel computers. Together with a unique vertically Lagrangian control volume discretization that essentially reduces the dimension of the computational problem from three to two, the finite-volume dynamical core is very efficient, particularly at high resolutions. I will also present the computational design of the dynamical core using a hybrid distributed- shared memory programming paradigm that is portable to virtually any of today's high-end parallel super-computing clusters.

Lin, Shian-Jiann↗

NASA NTRS2002

High-Efficiency High-Resolution Global Model Developments at the NASA Goddard Data Assimilation Office

The Data Assimilation Office (DAO) has been developing a new generation of ultra-high resolution General Circulation Model (GCM) that is suitable for 4-D data assimilation, numerical weather predictions, and climate simulations. These three applications have conflicting requirements. For 4-D data assimilation and weather predictions, it is highly desirable to run the model at the highest possible spatial resolution (e.g., 55 km or finer) so as to be able to resolve and predict socially and economically important weather phenomena such as tropical cyclones, hurricanes, and severe winter storms. For climate change applications, the model simulations need to be carried out for decades, if not centuries. To reduce uncertainty in climate change assessments, the next generation model would also need to be run at a fine enough spatial resolution that can at least marginally simulate the effects of intense tropical cyclones. Scientific problems (e.g., parameterization of subgrid scale moist processes) aside, all three areas of application require the model's computational performance to be dramatically improved as compared to the previous generation. In this talk, I will present the current and future developments of the "finite-volume dynamical core" at the Data Assimilation Office. This dynamical core applies modem monotonicity preserving algorithms and is genuinely conservative by construction, not by an ad hoc fixer. The "discretization" of the conservation laws is purely local, which is clearly advantageous for resolving sharp gradient flow features. In addition, the local nature of the finite-volume discretization also has a significant advantage on distributed memory parallel computers. Together with a unique vertically Lagrangian control volume discretization that essentially reduces the dimension of the computational problem from three to two, the finite-volume dynamical core is very efficient, particularly at high resolutions. I will also present the computational design of the dynamical core using a hybrid distributed-shared memory programming paradigm that is portable to virtually any of today's high-end parallel super-computing clusters.

Lin, Shian-Jiann↗

NASA NTRS1994

A New Electromagnetic Instrument for Thickness Gauging of Conductive Materials

Eddy current techniques are widely used to measure the thickness of electrically conducting materials. The approach, however, requires an extensive set of calibration standards and can be quite time consuming to set up and perform. Recently, an electromagnetic sensor was developed which eliminates the need for impedance measurements. The ability to monitor the magnitude of a voltage output independent of the phase enables the use of extremely simple instrumentation. Using this new sensor a portable hand-held instrument was developed. The device makes single point measurements of the thickness of nonferromagnetic conductive materials. The technique utilized by this instrument requires calibration with two samples of known thicknesses that are representative of the upper and lower thickness values to be measured. The accuracy of the instrument depends upon the calibration range, with a larger range giving a larger error. The measured thicknesses are typically within 2-3% of the calibration range (the difference between the thin and thick sample) of their actual values. In this paper the design, operational and performance characteristics of the instrument along with a detailed description of the thickness gauging algorithm used in the device are presented.

Fulton, J. P.↗

DOE OSTI2025

Extending SEER for Extreme Heterogeneity

Heterogeneous and multi-device nodes are increasingly common in high-performance computing and data centers, yet existing programming models often lack simple, transparent, and portable support for these diverse architectures. The main contribution of this work is the development of novel SEER capabilities to address this challenge by providing a descriptive programming model that allows applications to seamlessly leverage heterogeneous nodes across various device types. SEER uses efficient memory management and can select the proper device[s] depending on the computational cost of the applications. This is completely transparent to the programmer, thereby providing a highly productive programming environment. Integrating extreme heterogeneity into the SEER library as shown with the use of NVIDIA and AMD GPUs simultaneously allows it to expand and exploit the performance possibilities. Our analysis based on the well-known Conjugate Gradient algorithm reports accelerations above 1.5 × on computationally demanding steps of such an algorithm by using both architectures simultaneously.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗

NASA NTRS1985

Portable instant display and analysis reflectance spectrometer

A portable analysis spectrometer (10) for field mineral identification is coupled to a microprocessor (11) and memory (12) through a bus (13) and A/D converter (14) to display (16) a spectrum of reflected radiation in a band selected by an adjustable band spectrometer (20) and filter (23). A detector array (21) provides output signals at spaced frequencies within the selected spectrometer band which are simultaneously converted to digital form for display. The spectrum displayed is compared with a collection of spectra for known minerals. That collection is stored in memory and selectively displayed with the measured spectrum, or stored in a separate portfolio. In either case, visual comparison is made. Alternatively, the microprocessor may use an algorithm to make the comparisons in search for the best match of the measured spectrum with one of the stored spectra to identify the mineral in the target area.

Goetz, Alexander F. H.↗

NASA NTRS1997

Load Balancing Sequences of Unstructured Adaptive Grids

Mesh adaption is a powerful tool for efficient unstructured grid computations but causes load imbalance on multiprocessor systems. To address this problem, we have developed PLUM, an automatic portable framework for performing adaptive large-scale numerical computations in a message-passing environment. This paper makes several important additions to our previous work. First, a new remapping cost model is presented and empirically validated on an SP2. Next, our load balancing strategy is applied to sequences of dynamically adapted unstructured grids. Results indicate that our framework is effective on many processors for both steady and unsteady problems with several levels of adaption. Additionally, we demonstrate that a coarse starting mesh produces high quality load balancing, at a fraction of the cost required for a fine initial mesh. Finally, we show that the data remapping overhead can be significantly reduced by applying our heuristic processor reassignment algorithm.

Biswas, Rupak↗

NASA NTRS2002

Mapping CDOM Concentration in Waters Influenced by the Mississippi River Plume

Colored dissolved organic matter (CDOM) is often an important component of the organic carbon pool in river-dominated coastal margins. CDOM directly influences remote sensing applications through its strong absorption in the UV and blue regions of the spectrum. This effect can complicate the use of chlorophyll a retrieval algorithms and phytoplankton production models that are based on remotely sensed ocean color. As freshwater input is the principle source of CDOM in coastal margins, CDOM distribution can often be described by conservative mixing with open ocean waters and may serve as an optical tracer of riverine water. Hence, there is considerable interest in the ability to accurately measure and map CDOM concentrations as well as understand the processes that govern the optical properties and distribution of CDOM in coastal environments. We are examining CDOM dynamics in the waters influenced by the Mississippi River plume. Our program incorporates discrete samples, flow-through measurements, and remote sensing. CDOM absorption spectra of discrete samples are measured at sea using a portable, multiple pathlength waveguide system. A SAFire multi-spectral fluorescence meter provides spectral characterization of CDOM (fluorescence and absorption) using a ship flow-through system for continuous surface mapping. In situ reflectance spectra are obtained by a hand held spectroradiometer. Remotely sensed images are obtained from the SeaWiFS and CRIS (Coastal Research Imaging Spectrometer) instruments. We describe here the instruments used, sampling protocols employed, and the relationships derived between in situ measurements and remotely sensed data for this optically complex environment.

Miller, Richard L.↗

DOE OSTI2025

Implementation of McMurchie–Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors

We report an implementation of the McMurchie− Davidson evaluation scheme for 1- and 2-particle Gaussian AO integrals designed for processors with Single Instruction Multiple Data (SIMD) instruction sets. Like in our recent MD implementation for graphical processing units (GPUs) [Asadchev, A.; Valeev, E. F.. J. Chem. Phys. 2024, 160, 244109.], variable-sized batches of shellsets of integrals are evaluated at a time. By optimizing for the floating point instruction throughput rather than minimizing the number of operations, this approach achieves up to 50% of the theoretical hardware peak FP64 performance for many common SIMD-equipped platforms (AVX2, AVX512, NEON), which translates to speedups of up to 30 over the state-of-the-art one-shellset-at-a-time implementation of Obara−Saika-type schemes in Libint for a variety of primitive and contracted integrals. As with our previous work, we rely on the standard C++ programming language such as the std::simd standard library feature to be included in the 2026 ISO C++ standard without any explicit code generation to keep the code base small and portable. The implementation is part of the open source LibintX library freely available at https://github.com/ValeevGroup/libintx.

Basis sets↗

NASA NTRS2009

Flightspeed Integral Image Analysis Toolkit

The Flightspeed Integral Image Analysis Toolkit (FIIAT) is a C library that provides image analysis functions in a single, portable package. It provides basic low-level filtering, texture analysis, and subwindow descriptor for applications dealing with image interpretation and object recognition. Designed with spaceflight in mind, it addresses: Ease of integration (minimal external dependencies) Fast, real-time operation using integer arithmetic where possible (useful for platforms lacking a dedicated floatingpoint processor) Written entirely in C (easily modified) Mostly static memory allocation 8-bit image data The basic goal of the FIIAT library is to compute meaningful numerical descriptors for images or rectangular image regions. These n-vectors can then be used directly for novelty detection or pattern recognition, or as a feature space for higher-level pattern recognition tasks. The library provides routines for leveraging training data to derive descriptors that are most useful for a specific data set. Its runtime algorithms exploit a structure known as the "integral image." This is a caching method that permits fast summation of values within rectangular regions of an image. This integral frame facilitates a wide range of fast image-processing functions. This toolkit has applicability to a wide range of autonomous image analysis tasks in the space-flight domain, including novelty detection, object and scene classification, target detection for autonomous instrument placement, and science analysis of geomorphology. It makes real-time texture and pattern recognition possible for platforms with severe computational restraints. The software provides an order of magnitude speed increase over alternative software libraries currently in use by the research community. FIIAT can commercially support intelligent video cameras used in intelligent surveillance. It is also useful for object recognition by robots or other autonomous vehicles

Thompson, David R.↗

NASA NTRS2013

Functional Near-Infrared Spectroscopy Signals Measure Neuronal Activity in the Cortex

Functional near infrared spectroscopy (fNIRS) is an emerging optical neuroimaging technology that indirectly measures neuronal activity in the cortex via neurovascular coupling. It quantifies hemoglobin concentration ([Hb]) and thus measures the same hemodynamic response as functional magnetic resonance imaging (fMRI), but is portable, non-confining, relatively inexpensive, and is appropriate for long-duration monitoring and use at the bedside. Like fMRI, it is noninvasive and safe for repeated measurements. Patterns of [Hb] changes are used to classify cognitive state. Thus, fNIRS technology offers much potential for application in operational contexts. For instance, the use of fNIRS to detect the mental state of commercial aircraft operators in near real time could allow intelligent flight decks of the future to optimally support human performance in the interest of safety by responding to hazardous mental states of the operator. However, many opportunities remain for improving robustness and reliability. It is desirable to reduce the impact of motion and poor optical coupling of probes to the skin. Such artifacts degrade signal quality and thus cognitive state classification accuracy. Field application calls for further development of algorithms and filters for the automation of bad channel detection and dynamic artifact removal. This work introduces a novel adaptive filter method for automated real-time fNIRS signal quality detection and improvement. The output signal (after filtering) will have had contributions from motion and poor coupling reduced or removed, thus leaving a signal more indicative of changes due to hemodynamic brain activations of interest. Cognitive state classifications based on these signals reflect brain activity more reliably. The filter has been tested successfully with both synthetic and real human subject data, and requires no auxiliary measurement. This method could be implemented as a real-time filtering option or bad channel rejection feature of software used with frequency domain fNIRS instruments for signal acquisition and processing. Use of this method could improve the reliability of any operational or real-world application of fNIRS in which motion is an inherent part of the functional task of interest. Other optical diagnostic techniques (e.g., for NIR medical diagnosis) also may benefit from the reduction of probe motion artifact during any use in which motion avoidance would be impractical or limit usability.

Harrivel, Angela↗

NASA NTRS2013

Functional Near-Infrared Spectroscopy Signals Measure Neuronal Activity in the Cortex

Harrivel, Angela↗

DOE OSTI2025

Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and the design of new materials. This work describes an initial implementation for performing multireference wave function method localized active-space self-consistent field (LASSCF) calculations through the use of multiple graphics processing units (GPUs) to accelerate time-to-solution. Density fitting is leveraged to reduce memory requirements, and we demonstrate the ability to fully utilize multi-GPU compute nodes. Performance improvements of 5–10x in total application runtime were observed in LASSCF calculations for multimetallic catalyst systems up to 1200 AOs and an active space of (22e,40o) using up to four NVIDIA A100 GPUs. Furthermore, written with performance portability in mind, a comparable performance is also observed in early runs on the Aurora exascale system using Intel Max Series GPUs.

Algorithms↗

NASA NTRS1992

Application of Laser Imaging for Bio/geophysical Studies

SPARTA, Inc. has developed a low-cost, portable laser imager that, among other applications, can be used in bio/geophysical applications. In the application to be discussed here, the system was utilized as an imaging system for background features in a forested locale. The SPARTA mini-ladar system was used at the International Paper Northern Experimental Forest near Howland, Maine to assist in a project designed to study the thermal and radiometric phenomenology at forest edges. The imager was used to obtain data from three complex sites, a 'seed' orchard, a forest edge, and a building. The goal of the study was to demonstrate the usefulness of the laser imager as a tool to obtain geometric and internal structure data about complex 3-D objects in a natural background. The data from these images have been analyzed to obtain information about the distributions of the objects in a scene. A range detection algorithm has been used to identify individual objects in a laser image and an edge detection algorithm then applied to highlight the outlines of discrete objects. An example of an image processed in such a manner is shown. Described here are the results from the study. In addition, results are presented outlining how the laser imaging system could be used to obtain other important information about bio/geophysical systems, such as the distribution of woody material in forests.

Hummel, J. R.↗

DOE OSTI2025

PDF Entity Annotation Tool (PEAT)

While different text mining approaches – including the use of Artificial Intelligence (AI) and other machine based methods - continue to expand at a rapid pace, the tools used by researchers to create the labeled datasets required for training, modeling, and evaluation remain rudimentary. Labeled datasets contain the target attributes the machine is going to learn; for example, training an algorithm to delineate between images of a car or truck would generally require a set of images with a quantitative description of the underlying features of each vehicle type. Development of labeled textual data that can be used to build natural language machine learning models for scientific literature is not currently integrated into existing manual workflows used by domain experts. Published literature is rich with important information, such as different types of embedded text, plots, and tables that can all be used as inputs to train ML/natural language processing (NLP) models, when extracted and prepared in machine readable formats. Currently, both normalized data extraction of use to domain experts and extraction to support development of ML/NLP models are labor intensive and cumbersome manual processes. Automatic extraction of data and information from formats such as PDFs that are optimized for layout and human readability, not machine readability. The PDF (Portable Document Format) Entity Annotation Tool (PEAT) was developed with the goal of allowing users to annotate publications within their current print format, while also allowing those annotations to be captured in a machine-readable format. One of the main issues with traditional annotation tools is that they require transforming the PDF into plain text to facilitate the annotation process. While doing so lessens the technical challenges of annotating data, the user loses all structure and provenance that was inherent in the underlying PDF. Also, textual data extraction from PDFs can be an error prone process. Challenges include identifying sequential blocks of text and a multitude of document formats (multiple columns, font encodings, etc.). As a result of these challenges, using existing tools for development of NLP/ML models directly from PDFs is difficult because the generated outputs are not interoperable. We created a system that allows annotations to be completed on the original PDF document structure, with no plain text extraction. The result is an application that allows for easier and more accurate annotations. In addition, by including a feature that grants the user the ability to easily create a schema, we have developed a system that can be used to annotate text for different domain-centric schemas of relevance to subject matter experts. Different knowledge domains require distinct schemas and annotation tags to support machine learning.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2012

Cascade Storage and Delivery System for a Multi Mission Space Exploration Vehicle (MMSEV)

NASA is developing a Multi Mission Space Exploration Vehicle (MMSEV) for missions beyond Low Earth Orbit (LEO). The MMSEV is a pressurized vehicle used to extend the human exploration envelope for Lunar, Near Earth Object (NEO), and Deep Space missions. The Johnson Space Center is developing the Environmental Control and Life Support System (ECLSS) for the MMSEV. The MMSEV s intended use is to support longer sortie lengths with multiple Extra Vehicular Activities (EVAs) on a higher magnitude than any previous vehicle. This paper presents an analysis of a high pressure oxygen cascade storage and delivery system that will accommodate the crew during long duration Intra Vehicular Activity (IVA) and capable of multiple high pressure oxygen fills to the Portable Life Support System (PLSS) worn by the crew during EVAs. A cascade is a high pressure gas cylinder system used for the refilling of smaller compressed gas cylinders. Each of the large cylinders are filled by a compressor, but the cascade system allows small cylinders to be filled without the need of a compressor. In addition, the cascade system is useful as a "reservoir" to accommodate low pressure needs. A regression model was developed to provide the mechanism to size the cascade systems subject to constraints such as number of crew, extravehicular activity duration and frequency, and ullage gas requirements under contingency scenarios. The sizing routine employed a numerical integration scheme to determine gas compressibility changes during depressurization and compressibility effects were captured using the Soave-Redlich-Kwong (SRK) equation of state. A multi-dimensional nonlinear optimization routine was used to find the minimum cascade tank system mass that meets the mission requirements. The sizing algorithms developed in this analysis provide a powerful framework to assess cascade filling, compressor, and hybrid systems to design long duration vehicle ECLSS architecture. 1

Yagoda, Evan↗

NASA NTRS1994

Towards a Comprehensive Computational Simulation System for Turbomachinery

The objective of this work is to develop algorithms associated with a comprehensive computational simulation system for turbomachinery flow fields. This development is accomplished in a modular fashion. These modules includes grid generation, visualization, network, simulation, toolbox, and flow modules. An interactive grid generation module is customized to facilitate the grid generation process associated with complicated turbomachinery configurations. With its user-friendly graphical user interface, the user may interactively manipulate the default settings to obtain a quality grid within a fraction of time that is usually required for building a grid about the same geometry with a general-purpose grid generation code. Non-Uniform Rational B-Spline formulations are utilized in the algorithm to maintain geometry fidelity while redistributing grid points on the solid surfaces. Bezier curve formulation is used to allow interactive construction of inner boundaries. It is also utilized to allow interactive point distribution. Cascade surfaces are transformed from three-dimensional surfaces of revolution into two-dimensional parametric planes for easy manipulation. Such a transformation allows these manipulated plane grids to be mapped to surfaces of revolution by any generatrix definition. A sophisticated visualization module is developed to al-low visualization for both grid and flow solution, steady or unsteady. A network module is built to allow data transferring in the heterogeneous environment. A flow module is integrated into this system, using an existing turbomachinery flow code. A simulation module is developed to combine the network, flow, and visualization module to achieve near real-time flow simulation about turbomachinery geometries. A toolbox module is developed to support the overall task. A batch version of the grid generation module is developed to allow portability and has been extended to allow dynamic grid generation for pitch changing turbomachinery configurations. Various applications with different characteristics are presented to demonstrate the success of this system.

Shih, Ming-Hsin↗

NASA NTRS2016

Space Suit Portable Life Support System (PLSS) 2.0 Pre-Installation Acceptance (PIA) Testing

Following successful completion of the space suit Portable Life Support System (PLSS) 1.0 development and testing in 2011, the second system-level prototype, PLSS 2.0, was developed in 2012 to continue the maturation of the advanced PLSS design which is intended to reduce consumables, improve reliability and robustness, and incorporate additional sensing and functional capabilities over the current Space Shuttle/International Space Station Extravehicular Mobility Unit (EMU) PLSS. PLSS 2.0 represents the first attempt at a packaged design comprising first generation or later component prototypes and medium fidelity interfaces within a flight-like representative volume. Pre-Installation Acceptance (PIA) is carryover terminology from the Space Shuttle Program referring to the series of test sequences used to verify functionality of the EMU PLSS prior to installation into the Space Shuttle airlock for launch. As applied to the PLSS 2.0 development and testing effort, PIA testing designated the series of 27 independent test sequences devised to verify component and subsystem functionality, perform in situ instrument calibrations, generate mapping data to define set-points for control algorithms, evaluate hardware performance against advanced PLSS design requirements, and provide quantitative and qualitative feedback on evolving design requirements and performance specifications. PLSS 2.0 PIA testing was carried out from 3/20/13 - 3/15/14 using a variety of test configurations to perform test sequences that ranged from stand-alone component testing to system-level testing, with evaluations becoming increasingly integrated as the test series progressed. Each of the 27 test sequences was vetted independently, with verification of basic functionality required before completion. Because PLSS 2.0 design requirements were evolving concurrently with PLSS 2.0 PIA testing, the requirements were used as guidelines to assess performance during the tests; after the completion of PIA testing, test data served to improve the fidelity and maturity of design requirements as well as plans for future advanced PLSS functional testing.

Watts, Carly↗

NASA NTRS2012

Quality Assessment of Landsat Surface Reflectance Products Using MODIS Data

Surface reflectance adjusted for atmospheric effects is a primary input for land cover change detection and for developing many higher level surface geophysical parameters. With the development of automated atmospheric correction algorithms, it is now feasible to produce large quantities of surface reflectance products using Landsat images. Validation of these products requires in situ measurements, which either do not exist or are difficult to obtain for most Landsat images. The surface reflectance products derived using data acquired by the Moderate Resolution Imaging Spectroradiometer (MODIS), however, have been validated more comprehensively. Because the MODIS on the Terra platform and the Landsat 7 are only half an hour apart following the same orbit, and each of the 6 Landsat spectral bands overlaps with a MODIS band, good agreements between MODIS and Landsat surface reflectance values can be considered indicators of the reliability of the Landsat products, while disagreements may suggest potential quality problems that need to be further investigated. Here we develop a system called Landsat-MODIS Consistency Checking System (LMCCS). This system automatically matches Landsat data with MODIS observations acquired on the same date over the same locations and uses them to calculate a set of agreement metrics. To maximize its portability, Java and open-source libraries were used in developing this system, and object-oriented programming (OOP) principles were followed to make it more flexible for future expansion. As a highly automated system designed to run as a stand-alone package or as a component of other Landsat data processing systems, this system can be used to assess the quality of essentially every Landsat surface reflectance image where spatially and temporally matching MODIS data are available. The effectiveness of this system was demonstrated using it to assess preliminary surface reflectance products derived using the Global Land Survey (GLS) Landsat images for the 2000 epoch. As surface reflectance likely will be a standard product for future Landsat missions, the approach developed in this study can be adapted as an operational quality assessment system for those missions.

Landsat↗