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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Queue wait time prediction in high performance computing (HPC) systems

High Performance Computing (HPC) systems are critical enablers for groundbreaking scientific research across various domains. Efficient resource allocation, facilitated by job scheduling, is paramount for maximizing the utilization of HPC systems. However, the variability in wait times for queued jobs poses challenges for users, necessitating accurate job wait time estimation. This paper explores the influence of job characteristics, including job size (the number of nodes requested and walltime), the queue to which the job is submitted and other resource requirements, on job wait times in leadership-class HPC systems. Focusing on the Theta Cray XC40 and Polaris machines at Argonne National Laboratory, the study evaluates the performance of different supervised learning algorithms in predicting job wait times. It also evaluates the impact of data preprocessing, including outlier detection, Principal Component Analysis (PCA), and feature selection, on the performance of wait time prediction models. The findings reveal insights into the relationship between job characteristics and wait times, offering a foundation for optimizing resource allocation and enhancing user experience. The methodologies and tools developed in this study are adaptable to other leadership-class HPC systems, providing a valuable contribution to the broader HPC community aiming to improve job scheduling efficiency and user satisfaction.

Okafor, Nwamaka↗
DOE OSTI2018

Occupancy prediction through machine learning and data fusion of environmental sensing and Wi-Fi sensing in buildings

Occupancy information is crucial to building facility design, operation, and energy efficiency. Many studies propose the use of environmental sensors (such as carbon dioxide, air temperature, and relative humidity sensors) and radio-frequency sensors (Wi-Fi networks) to monitor, assess, and predict occupancy information for buildings. As many methods have been developed and a variety of sensory data sources are available, establishing a proper selection of model and data source is critical to the successful implementation of occupancy prediction systems. This study compared three popular machine learning algorithms, including k-nearest neighbors (kNN), support vector machine (SVM), and artificial neural network (ANN), combined with three data sources, including environmental data, Wi-Fi data, and fused data, to optimize the occupancy models’ performance in various scenarios. Three error measurement metrics, the mean average error (MAE), mean average percentage error (MAPE), and root mean squared error (RMSE), have been employed to compare the models’ accuracies. Examined with an on-site experiment, the results suggest that the ANN-based model with fused data has the best performance, while the SVM model is more suitable with Wi-Fi data. The results also indicate that, comparing with independent data sources, the fused data set does not necessarily improve model accuracy but shows a better robustness for occupancy prediction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Uncertain characterization of reservoir fluids due to brittleness of equation of state regression

Equations of state (EoS) play a central role in modeling the phase equilibrium of fluid mixtures. Their parameterization involves fitting a model to experimental data, i.e., solving a nonlinear, non-convex, multivariate optimization problem. The latter requires one to select design variables, domains of definition for each variable, and weights assigned to individual measurements. We demonstrate that subjective choices of an optimization algorithm and an initial guess also impact the regression process. Consequently, EoS predictions are fundamentally uncertain even after the EoS tuning to a limited set of experimental data points. We demonstrate this observation for two hydrocarbon reservoir fluids, in which five properties of the heaviest carbon fraction are treated as design variables. While all the optimization algorithms and initial guesses match experimental data for the gas and liquid properties, the resulting EoS parameterizations lead to dramatically different predictions of the fluid’s thermophysical behavior in the unsampled pressure and temperature regions. In conclusion, we propose the probabilistic treatment of design variables to quantify the predictive uncertainty of the resulting fluid models.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

A link-node reformulation of ridesharing user equilibrium with network design

Though the conventional network design is extensively studied, the network design problem for ridesharing, in particular, the deployment of high-occupancy toll (HOT) lanes, remains understudied. Here this paper focuses on one type of network design problem as to whether existing roads should be retrofit into HOT lanes. It is a continuous bi-level mathematical program with equilibrium constraints. The lower level problem is ridesharing user equilibrium (RUE). To reduce the problem size and facilitate computation, we reformulate RUE in the link-node representation. Then we extend the RUE framework to accommodate the presence of HOT lanes and tolls. Algorithms are briefly discussed and numerical examples are illustrated on the Braess network and the Sioux Falls network, respectively. Results show that carefully selecting the deployment of HOT lanes can improve the overall system travel time.

42 ENGINEERING↗
DOE OSTI2017

Predicting novel substrates for enzymes with minimal experimental effort with active learning

Enzymatic substrate promiscuity is more ubiquitous than previously thought, with significant consequences for understanding metabolism and its application to biocatalysis. This realization has given rise to the need for efficient characterization of enzyme promiscuity. Enzyme promiscuity is currently characterized with a limited number of human-selected compounds that may not be representative of the enzyme's versatility. While testing large numbers of compounds may be impractical, computational approaches can exploit existing data to determine the most informative substrates to test next, thereby more thoroughly exploring an enzyme's versatility. Here, to demonstrate this, we used existing studies and tested compounds for four different enzymes, developed support vector machine (SVM) models using these datasets, and selected additional compounds for experiments using an active learning approach. SVMs trained on a chemically diverse set of compounds were discovered to achieve maximum accuracies of similar to 80% using similar to 33% fewer compounds than datasets based on all compounds tested in existing studies. Active learning-selected compounds for testing resolved apparent conflicts in the existing training data, while adding diversity to the dataset. Finally, the application of these algorithms to wide arrays of metabolic enzymes would result in a library of SVMs that can predict high-probability promiscuous enzymatic reactions and could prove a valuable resource for the design of novel metabolic pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Scanning electron microscopy image representativeness: morphological data on nanoparticles

Summary A sample of a nanomaterial contains a distribution of nanoparticles of various shapes and/or sizes. A scanning electron microscopy image of such a sample often captures only a fragment of the morphological variety present in the sample. In order to quantitatively analyse the sample using scanning electron microscope digital images, and, in particular, to derive numerical representations of the sample morphology, image content has to be assessed. In this work, we present a framework for extracting morphological information contained in scanning electron microscopy images using computer vision algorithms, and for converting them into numerical particle descriptors. We explore the concept of image representativeness and provide a set of protocols for selecting optimal scanning electron microscopy images as well as determining the smallest representative image set for each of the morphological features. We demonstrate the practical aspects of our methodology by investigating tricalcium phosphate, Ca 3 (PO 4 ) 2 , and calcium hydroxyphosphate, Ca 5 (PO 4 ) 3 (OH), both naturally occurring minerals with a wide range of biomedical applications.

ODZIOMEK, KATARZYNA↗
DOE OSTI2016

MO-DE-207B-08: Radiomic CT Features Complement Semantic Annotations to Predict EGFR Mutations in Lung Adenocarcinomas

Purpose: To compare the complementary value of quantitative radiomic features to that of radiologist-annotated semantic features in predicting EGFR mutations in lung adenocarcinomas. Methods: Pre-operative CT images of 258 lung adenocarcinoma patients were available. Tumors were segmented using the sing-click ensemble segmentation algorithm. A set of radiomic features was extracted using 3D-Slicer. Test-retest reproducibility and unsupervised dimensionality reduction were applied to select a subset of reproducible and independent radiomic features. Twenty semantic annotations were scored by an expert radiologist, describing the tumor, surrounding tissue and associated findings. Minimum-redundancy-maximum-relevance (MRMR) was used to identify the most informative radiomic and semantic features in 172 patients (training-set, temporal split). Radiomic, semantic and combined radiomic-semantic logistic regression models to predict EGFR mutations were evaluated in and independent validation dataset of 86 patients using the area under the receiver operating curve (AUC). Results: EGFR mutations were found in 77/172 (45%) and 39/86 (45%) of the training and validation sets, respectively. Univariate AUCs showed a similar range for both feature types: radiomics median AUC = 0.57 (range: 0.50 – 0.62); semantic median AUC = 0.53 (range: 0.50 – 0.64, Wilcoxon p = 0.55). After MRMR feature selection, the best-performing radiomic, semantic, and radiomic-semantic logistic regression models, for EGFR mutations, showed a validation AUC of 0.56 (p = 0.29), 0.63 (p = 0.063) and 0.67 (p = 0.004), respectively. Conclusion: Quantitative volumetric and textural Radiomic features complement the qualitative and semi-quantitative radiologist annotations. The prognostic value of informative qualitative semantic features such as cavitation and lobulation is increased with the addition of quantitative textural features from the tumor region.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

CEED-MS8:Initial Integration of CEED Software in ECP Applications

Key components of CEED software development involve fast finite element operator storage and evaluation, architecture optimizations, performant algorithms for all orders, global kernels for finite element operators, efficient use of the memory sub-system, optimal data locality and motion, enhanced scalability and parallelism, and fast tensor contractions. As ultimate goals of the project, CEED is exploring and identifying the best algorithms for the full range of discretizations and applying algorithmic and software development to support ECP applications’ needs. In this milestone we report on the initial integration of CEED software in the selected first-wave ECP/CEED apps and the continued exploration of other ECP applications as second-wave (milestone CEED-MS23) and third-wave (milestone CEED-MS35) ECP/CEED application candidates. An extensive evaluation of various approaches for GPU acceleration of the CEED computational motives is also a major focus of the report, both in the settings of CEED’s Nekbone and Laghos miniapps, as well as versions of CEED’s bake-off problems (introduced in milestone CEED-MS6). The first-wave ECP applications targeted for coupling with CEED software include the ExaSMR and MARBL applications. We also report on near-term collaboration with the seed-funded Urban Systems project, as well as engagements with ACME, ExaAM, GEOS and the Application Assessment and Proxy App projects. The ExaSMR project involves coupled thermal-hydraulics/neutronics, with the latter based on Monte Carlo methods and the former based on high-order discretizations of the Navier-Stokes and energy equations for accurate simulation of turbulent transport. The project requires fast and efficient turbulence simulation capabilities that will scale to exascale platforms. Work within CEED will ensure that all aspects of the Nek5000 workflow scale to the target problem space, which involves > 10 10 degrees of freedom in typical production runs. CEED’s goal is to provide implementations that perform with maximum attainable efficiency and deliver low turn-around times. A deliverable for this milestone is beta-release of the GPU-based variant of Nek5000. MARBL is targeting high-energy-density physics problems, including single fluid multi-material hydrodynamics and radiation/magnetic diffusion simulation, with applications in inertial confined fusion, pulsed power experiments, and equation of state/material strength analysis. The code uses high-order methods based arbitrary Lagrangian-Eulerian, direct Eulerian, and unstructured adaptive mesh refinement. A deliverable for this milestone is collaboration with MARBL for improved performance based on partially-assembled operators. The Urban exascale project is planning to couple real-time data with high performance simulations to study particulate transport in cities. Nek5000 will be used for large eddy and RANS (Reynolds-averaged Navier-Stokes) simulations of turbulent transport in these domains. Areas where the CEED team is aiding the Urban Canyon group include creating high-order meshes for urban geometries and developing boundary conditions appropriate for simulations close to real-life urban conditions. The software artifacts delivered as part of this milestone include GPU-enabled versions of the Nekbone and Laghos miniapps, which are provided through the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q4 of FY17, including: the CEED first annual meeting and participation of CEED researchers in a variety of outreach activities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Introduction to ALERT: A User-Interface Tool for Resilient Optimization

As the cyber-physical systems grow in complexity, there is a need for proactive resilience strategies that involve online, adaptive control actions to best prepare for any impending adversarial events. In this technical effort, supported by RD2C LDRD initiative, the project team designed and demonstrated online strategies – referred to as ALERT controls – for proactive and adaptive tuning of existing optimal controls in a microgrid, with quantifiably assured margins of resilience to various cyber-physical adversarial events. This ALERT functionality is made available to the end-users, e.g., the system operators, via an interactive user-interface. The end-users will not only be able to use the interface to visualize the system’s operation under various cyber-physical adversarial scenarios, but also evaluate the amount of tolerance the system has against selected adversarial perturbations of interest (e.g., malfunctioning sensors, suspected attacked measurements) via the adversarial plots. In this technical report, we briefly outline the algorithmic modules of the developed ALERT control technology, and introduce the user-interface tool that allows end-users (e.g., microgrid operators) to enter their system description, specify various operational and resilience requirements, and evaluate the impact of the control decisions via illustrative plots.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1976

A moving-window parameter adaptive control system for the F8-DFBW aircraft

This paper describes the moving-window parameter adaptive control system developed for the NASA F8-DFBW aircraft. The control system employs a parameter identification process that, iteratively, adjusts parameters of a model of the aircraft motions in a batch processing manner so that responses generated from the model fit the outputs of sensors stored in a finite record referred to as the moving window. Tests are made on the validity of the parameter estimates before using the parameters in an on-line design process. The on-line design process is an algebraic mapping of the parameters of the model into primary control system feedback and feedforward gains. The mapping was selected to satisfy specific flying quality characteristics over the range of parameter variations expected. Results are presented from simulation studies on the identification algorithm, tests for parameter validity, and the on-line design process.

Montgomery, R. C.↗
NASA NTRS1977

A moving window parameter adaptive control system for the F8-DFBW aircraft

This paper describes the moving window parameter adaptive control system developed for the NASA F8-DFBW aircraft. The control system employs a parameter identification process that, iteratively, adjusts parameters of a model of the aircraft motions in a batch-processing manner so that responses generated from the model fit the outputs of sensors stored in a finite record referred to as the moving window. Tests are made on the validity of the parameter estimates before using the parameters in an on-line design process. The on-line design process is an algebraic mapping of the parameters of the model into primary control system feedback and feedforward gains. The mapping was selected to satisfy specific flying quality characteristics over the range of parameter variations expected. Results are presented from simulation studies on the identification algorithm made during the development of the system.

Dunn, H. J.↗
NASA NTRS1989

Alaska SAR Facility (ASF5) SAR Communications (SARCOM) Data Compression System

The real-time operational requirements for SARCOM translation into a high speed image data handler and processor to achieve the desired compression ratios and the selection of a suitable image data compression technique with as low as possible fidelity (information) losses and which can be implemented in an algorithm placing a relatively low arithmetic load on the system are described.

Mango, Stephen A.↗
NASA NTRS1993

Clustering of very luminous infrared galaxies and their environment

The IRAS survey reveals a class of ultraluminous infrared (IR) galaxies (ULIRG's) with IR luminosities comparable to the bolometric luminosities of quasars. The nature, origin, and evolution of ULIRG's are attracting more and more attention recently. Since galaxy morphology is certainly a function of environment, morphological observations show that ULIRG's are interacting/merging galaxies, and some ULIRG's might be the dust-enshrouded quasars (S88) or giant ellipticals, the study of ULIRG's environment and large scale clustering effects should be worthwhile. ULIRG's and very luminous IR galaxies have been selected from the 2Jy IRAS redshift survey. Meanwhile, a catalog of IRAS groups of galaxies has been constructed using a percolation-like algorithm. Therefore, whether ULIRG's and/or VLIRG's have a group environment can be checked immediately. Other aspects of the survey are discussed.

Gao, YU↗
NASA NTRS1992

Local design optimization for composite transport fuselage crown panels

Composite transport fuselage crown panel design and manufacturing plans were optimized to have projected cost and weight savings of 18 and 45 percent, respectively. These savings are close to those quoted as overall NASA Advanced Composite Technology (ACT) program goals. Three local optimization tasks were found to influence the cost and weight of fuselage crown panels. The effects are summarized of each task and the task associated with a design cost model is described in detail. Studies were performed to evaluate the relationship between manufacturing cost and design details. A design tool was developed to aid in these studies. The development of the design tool included combining cost and performance constraints with a random search optimization algorithm. The resulting software was used in a series of optimization studies that evaluated the sensitivity of design variables, guidelines, criteria, and material selection on cost. The effect of blending adjacent design points in a full scale panel subjected to changing load distributions and local variations was shown to be important. Technical issues and directions for future work were identified.

Swanson, G. D.↗
NASA NTRS1992

Local design optimization for composite transport fuselage crown panels

Composite transport fuselage crown panel design and manufacturing plans were optimized to have projected cost and weight savings of 18 percent and 45 percent, respectively. These savings are close to those quoted as overall NASA ACT program goals. Three local optimization tasks were found to influence the cost and weight of fuselage crown panels. This paper summarizes the effect of each task and describes in detail the task associated with a design cost model. Studies were performed to evaluate the relationship between manufacturing cost and design details. A design tool was developed to aid in these investigations. The development of the design tool included combining cost and performance constraints with a random search optimization algorithm. The resulting software was used in a series of optimization studies that evaluated the sensitivity of design variables, guidelines, criteria, and material selection on cost. The effect of blending adjacent design points in a full scale panel subjected to changing load distributions and local variations was shown to be important. Technical issues and directions for future work were identified.

Swanson, G. D.↗
NASA NTRS2001

Remote Sensing of Cloud, Aerosol, and Water Vapor Properties from MODIS

MODIS is an earth-viewing cross-track scanning spectroradiometer launched on the Terra satellite in December 1999. MODIS scans a swath width sufficient to provide nearly complete global coverage every two days from a polar-orbiting, sun-synchronous, platform at an altitude of 705 km, and provides images in 36 spectral bands from 0.415 to 14.235 microns with spatial resolutions of 250 m (2 bands), 500 m (5 bands) and 1000 m (29 bands). These bands have been carefully selected to enable advanced studies of land, ocean, and atmospheric processes. In this presentation I will review the comprehensive set of remote sensing algorithms that have been developed for the remote sensing of atmospheric properties using MODIS data, placing primary emphasis on the principal atmospheric applications of: (1) developing a cloud mask for distinguishing clear sky from clouds, (2) retrieving global cloud radiative and microphysical properties, including cloud top pressure and temperature, effective emissivity, cloud optical thickness, thermodynamic phase, and effective radius, (3) monitoring tropospheric aerosol optical thickness over the land and ocean and aerosol size distribution over the ocean, (4) determining atmospheric profiles of moisture and temperature, and (5) estimating column water amount. The physical principles behind the determination of each of these atmospheric products will be described, together with an example of their application using MODIS observations. All products are archived into two categories: pixel-level retrievals (referred to as Level-2 products) and global gridded products at a latitude and longitude resolution of 1 deg (Level-3 products). An overview of the MODIS atmosphere algorithms and products, status, validation activities, and early level-2 and -3 results will be presented. Finally, I will present some highlights from the land and ocean algorithms developed for processing global MODIS observations, including: (1) surface reflectance, (2) vegetation indices, leaf area index, and FPAR, (3) albedo and nadir BRDF-adjusted reflectance, (4) normalized water-leaving radiance, (5) chlorophyll-a concentration, and (6) sea surface temperature.

King, Michael D.↗
NASA NTRS2008

Reactive, Safe Navigation for Lunar and Planetary Robots

When humans return to the moon, Astronauts will be accompanied by robotic helpers. Enabling robots to safely operate near astronauts on the lunar surface has the potential to significantly improve the efficiency of crew surface operations. Safely operating robots in close proximity to astronauts on the lunar surface requires reactive obstacle avoidance capabilities not available on existing planetary robots. In this paper we present work on safe, reactive navigation using a stereo based high-speed terrain analysis and obstacle avoidance system. Advances in the design of the algorithms allow it to run terrain analysis and obstacle avoidance algorithms at full frame rate (30Hz) on off the shelf hardware. The results of this analysis are fed into a fast, reactive path selection module, enforcing the safety of the chosen actions. The key components of the system are discussed and test results are presented.

Utz, Hans↗
NASA NTRS2009

Solder Joint Health Monitoring Testbed

A method of monitoring the health of selected solder joints, called SJ-BIST, has been developed by Ridgetop Group Inc. under a Small Business Innovative Research (SBIR) contract. The primary goal of this research program is to test and validate this method in a flight environment using realistically seeded faults in selected solder joints. An additional objective is to gather environmental data for future development of physics-based and data-driven prognostics algorithms. A test board is being designed using a Xilinx FPGA. These boards will be tested both in flight and on the ground using a shaker table and an altitude chamber.

Delaney, Michael M.↗