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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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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Advanced Visualization of Silent Error Propagation in HPC Applications

Last year, we refactored the major components of the SpotSDC visualization platform and added a visualization component for fault tolerance boundary. Also, we designed a new analysis framework to understand an application resiliency with a significantly less amount of samples compared to previous approaches. We evaluated the visualization platform and analysis framework for multiple critical HPC computation kernels and collected evidence for the effectiveness of the method developed. We published the findings of our research in the IEEE Transactions on Visualization and Computer Graphics (TVCG), the top journal in visualization. Moreover, we submitted a new paper, "Understanding a Program's Resiliency Through Error Propagation," to the PPOPP 2021 conference.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1972

Application of the matrix exponential kernel

A point matrix kernel for radiation transport, developed by the transmission matrix method, has been used to develop buildup factors and energy spectra through slab layers of different materials for a point isotropic source. Combinations of lead-water slabs were chosen for examples because of the extreme differences in shielding properties of these two materials.

Rohach, A. F.↗
NASA NTRS1973

Analysis of a model for transport of charged particles in a random magnetic field

A model for the transport of charged particles in a random magnetic field is a Volterra integrodifferential equation with a long-range kernel. The integrodifferential equation is solved numerically with the method of Bellman, Kalaba, and Lockett (1966). The results are shown to be in excellent agreement with analytical asymptotic results.-

Hanson, F. B.↗
DOE OSTI2021

Improvement of the NOvA Near Detector Event Reconstruction and Primary Vertexing through the Application of Machine Learning Methods

The purpose of this work is to examine the application of a deep learning model in event reconstruction of neutrino interactions. The challenges faced in event reconstruction include the placement of an accurate primary neutrino interaction vertex which is used to support the particle track and prong algorithms. The result of accurate primary vertex ensures all particles involved in a neutrino interaction are included. We propose a regression-based Convolutional Neural Network (CNN) method to predict the primary vertex of a particle interaction. We show that with raw two-dimensional pixel map views as input, the regression-based CNN can predict the primary vertex in all three coordinates. This work is applied as part of the NOvA (NuMI Off-axis $\nu_e$ Appearance) near detector reconstruction efforts. The primary vertex predicted by the regression-based CNN model shows promising results for future applications. This deep learning method can be extended to secondary vertexing through a Kernel Density Estimate algorithm discussed in this work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Gaussian process analysis of electron energy loss spectroscopy data: multivariate reconstruction and kernel control

Abstract Advances in hyperspectral imaging including electron energy loss spectroscopy bring forth the challenges of exploratory and physics-based analysis of multidimensional data sets. The multivariate linear unmixing methods generally explore similarities in the energy dimension, but ignore correlations in the spatial domain. At the same time, Gaussian process (GP) explicitly incorporate spatial correlations in the form of kernel functions but is computationally intensive. Here, we implement a GP method operating on the full spatial domain and reduced representations in the energy domain. In this multivariate GP, the information between the components is shared via a common spatial kernel structure, while allowing for variability in the relative noise magnitude or image morphology. We explore the role of kernel constraints on the quality of the reconstruction, and suggest an approach for estimating them from the experimental data. We further show that spatial information contained in higher-order components can be reconstructed and spatially localized.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scattering Observables from One- and Two-body Densities: Formalism and Application to $\pmb \gamma $ ${}^3\hbox {He}$ Scattering

We introduce the transition-density formalism, an efficient and general method for calculating the interaction of external probes with light nuclei. One- and two-body transition densities that encode the nuclear structure of the target are evaluated once and stored. They are then convoluted with an interaction kernel to produce amplitudes, and hence observables. Here, by choosing different kernels, the same densities can be used for any reaction in which a probe interacts perturbatively with the target. The method therefore exploits the factorisation between nuclear structure and interaction kernel that occurs in such processes. We study in detail the convergence in the number of partial waves for matrix elements relevant in elastic Compton scattering on 3 He. The results are fully consistent with our previous calculations in Chiral Effective Field Theory. But the new approach is markedly more computationally efficient, which facilitates the inclusion of more partial-wave channels in the calculation. We also discuss the usefulness of the transition-density method for other nuclei and reactions. Calculations of elastic Compton scattering on heavier targets like 4 He are straightforward extensions of this study, since the same interaction kernels are used. And the generality of the formalism means that our 3 He densities can be used to evaluate any 3 He elastic-scattering observable with contributions from one- and two-body operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Linear stability analysis via simulated annealing and accelerated relaxation

Simulated annealing (SA) is a kind of relaxation method for finding equilibria of Hamiltonian systems. A set of evolution equations is solved with SA, which is derived from the original Hamiltonian system so that the energy of the system changes monotonically while preserving Casimir invariants inherent to noncanonical Hamiltonian systems. The energy extremum reached by SA is an equilibrium. Since SA searches for an energy extremum, it can also be used for stability analysis when initiated from a state where a perturbation is added to an equilibrium. The procedure of the stability analysis is explained, and some examples are shown. Because the time evolution is computationally time consuming, efficient relaxation is necessary for SA to be practically useful. An acceleration method is developed by introducing time dependence in the symmetric kernel used in the double bracket, which is part of the SA formulation described here. An explicit formulation for low-beta reduced magnetohydrodynamics (MHD) in cylindrical geometry is presented. In conclusion, since SA for low-beta reduced MHD has two advection fields that relax, it is important to balance the orders of magnitude of these advection fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Sequential ensemble transform for Bayesian inverse problems

In this work, we present the Sequential Ensemble Transform (SET) method, an approach for generating approximate samples from a Bayesian posterior distribution. The method explores the posterior distribution by solving a sequence of discrete optimal transport problems to produce a series of transport plans which map prior samples to posterior samples. We prove that the sequence of Dirac mixture distributions produced by the SET method converges weakly to the true posterior as the sample size approaches infinity. Furthermore, our numerical results indicate that, when compared to standard Sequential Monte Carlo (SMC) methods, the SET approach is more robust to the choice of Markov mutation kernels and requires less computational efforts to reach a similar accuracy when used to explore complex posterior distributions. Finally, we describe adaptive schemes that allow to completely automate the use of the SET method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Accurate parameterization of the kinetic energy functional

The absence of a reliable formulation of kinetic energy density functional has hindered the development of orbital free density functional theory. Using the data-aided learning paradigm, we propose a simple prescription to accurately model the kinetic energy density of any system. Our method relies on a dictionary of functional forms for local and nonlocal contributions which have been proposed in the literature and the appropriate coefficients are calculated via a linear regression framework. To model the nonlocal contributions, we explore two new nonlocal functionals - a functional that captures fluctuations in electronic density and a functional that incorporates gradient information. Since, the analytical functional forms of the kernels present in these nonlocal terms are not known from theory, we propose a basis function expansion to model these seemingly difficult nonlocal quantities. This allows us to easily reconstruct kernels for any system using only a few structures. The proposed method is able to learn kinetic energy densities and total kinetic energies of molecular and periodic systems, such as H 2 , LiH, LiF and a one-dimensional chain of 8 hydrogens using data from Kohn-Sham density functional theory calculations for only a few structures. For the ease of reproduction, codes used to generate the models are provided in the supporting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

ConKer: An algorithm for evaluating correlations of arbitrary order

Context. High order correlations in the cosmic matter density have become increasingly valuable in cosmological analyses. However, computing these correlation functions is computationally expensive. Aims. We aim to circumvent these challenges by developing a new algorithm called ConKer for estimating correlation functions. Methods. This algorithm performs convolutions of matter distributions with spherical kernels using FFT. Since matter distributions and kernels are defined on a grid, it results in some loss of accuracy in the distance and angle definitions. We study the algorithm setting at which these limitations become critical and suggest ways to minimize them. Results. ConKer is applied to the CMASS sample of the SDSS DR12 galaxy survey and corresponding mock catalogs, and is used to compute the correlation functions up to correlation order n = 5. We compare the n = 2 and n = 3 cases to traditional algorithms to verify the accuracy of the new algorithm. We perform a timing study of the algorithm and find that three of the four distinct processes within the algorithm are nearly independent of the catalog size N , while one subdominant component scales as O ( N ). The dominant portion of the calculation has complexity of O ( N c 4/3 log N c ), where N c is the of cells in a three-dimensional grid corresponding to the matter density. Conclusions. We find ConKer to be a fast and accurate method of probing high order correlations in the cosmic matter density, then discuss its application to upcoming surveys of large-scale structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A variational multiscale immersed meshfree method for heterogeneous materials

Abstract We introduce an immersed meshfree formulation for modeling heterogeneous materials with flexible non-body-fitted discretizations, approximations, and quadrature rules. The interfacial compatibility condition is imposed by a volumetric constraint, which avoids a tedious contour integral for complex material geometry. The proposed immersed approach is formulated under a variational multiscale based formulation, termed the variational multiscale immersed method (VMIM). Under this framework, the solution approximation on either the foreground or the background can be decoupled into coarse-scale and fine-scale in the variational equations, where the fine-scale approximation represents a correction to the residual of the coarse-scale equations. The resulting fine-scale solution leads to a residual-based stabilization in the VMIM discrete equations. The employment of reproducing kernel (RK) approximation for the coarse- and fine-scale variables allows arbitrary order of continuity in the approximation, which is particularly advantageous for modeling heterogeneous materials. The effectiveness of VMIM is demonstrated with several numerical examples, showing accuracy, stability, and discretization efficiency of the proposed method.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Regularized inversion of aerosol hygroscopic growth factor probability density function: application to humidity-controlled fast integrated mobility spectrometer measurements

Abstract. Aerosol hygroscopic growth plays an important role in atmospheric particle chemistry and the effects of aerosol on radiation and hence climate. The hygroscopic growth is often characterized by a growth factor probability density function (GF-PDF), where the growth factor is defined as the ratio of the particle size at a specified relative humidity to its dry size. Parametric, least-squares methods are the most widely used algorithms for inverting the GF-PDF from measurements of the humidified tandem differential mobility analyzer (HTDMA) and have been recently applied to the GF-PDF inversion from measurements of the humidity-controlled fast integrated mobility spectrometer (HFIMS). However, these least-squares methods suffer from noise amplification due to the lack of regularization in solving the ill-posed problem, resulting in significant fluctuations in the retrieved GF-PDF and even occasional failures of convergence. In this study, we introduce nonparametric, regularized methods to invert the aerosol GF-PDF and apply them to HFIMS measurements. Based on the HFIMS kernel function, the forward convolution is transformed into a matrix-based form, which facilitates the application of the nonparametric inversion methods with regularizations, including Tikhonov regularization and Twomey's iterative regularization. Inversions of the GF-PDF using the nonparameteric methods with regularization are demonstrated using HFIMS measurements simulated from representative GF-PDFs of ambient aerosols. The characteristics of reconstructed GF-PDFs resulting from different inversion methods, including previously developed least-squares methods, are quantitatively compared. The result shows that Twomey's method generally outperforms other inversion methods. The capabilities of Twomey's method in reconstructing the pre-defined GF-PDFs and recovering the mode parameters are validated.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

Applications of Anomaly Detection and Precursor Identification in Airspace Operations

As we continue to advance the U.S. National Airspace into the next generation of air traffic, we face challenges in both increase in complexity, as well as, a significant growth in traffic volume. Addressing these challenges, while maintaining the same level of safety is an important application of data mining. Because of these significant shifts in airspace design and usage there is a need to identify current and emergent safety risks along with their potential precursors. In recent years NASA has made advancements in developing scalable methods to address this effort in the Big Data paradigm. Multiple kernel anomaly detection approaches have been employed on both surveillance radar data and flight operational quality assurance data to identify operationally significant safety risks. Additionally, events have been explored with a recently developed precursor identification tool to discover states that reveal an increased probability of a safety event. These tools can be used to discover emerging safety risks that may not be currently monitored, which allows for mitigation tactics to be employed and ultimately make the overall airspace safer. This talk will discuss an overview of these methods and a discussion of the findings.

anomaly detection↗
DOE OSTI2021

Improving the astrometric solution of the Hyper Suprime-Cam with anisotropic Gaussian processes

Context. We study astrometric residuals from a simultaneous fit of Hyper Suprime-Cam images. Aims. We aim to characterize these residuals and study the extent to which they are dominated by atmospheric contributions for bright sources. Methods. We used Gaussian process interpolation with a correlation function (kernel) measured from the data to smooth and correct the observed astrometric residual field. Results. We find that a Gaussian process interpolation with a von Kármán kernel allows us to reduce the covariances of astrometric residuals for nearby sources by about one order of magnitude, from 30 mas 2 to 3 mas 2 at angular scales of ~1 arcmin. This also allows us to halve the rms residuals. Those reductions using Gaussian process interpolation are similar to recent result published with the Dark Energy Survey dataset. We are then able to detect the small static astrometric residuals due to the Hyper Suprime-Cam sensors effects. We discuss how the Gaussian process interpolation of astrometric residuals impacts galaxy shape measurements, particularly in the context of cosmic shear analyses at the Rubin Observatory Legacy Survey of Space and Time.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1995

Algorithms for parallel flow solvers on message passing architectures

The purpose of this project has been to identify and test suitable technologies for implementation of fluid flow solvers -- possibly coupled with structures and heat equation solvers -- on MIMD parallel computers. In the course of this investigation much attention has been paid to efficient domain decomposition strategies for ADI-type algorithms. Multi-partitioning derives its efficiency from the assignment of several blocks of grid points to each processor in the parallel computer. A coarse-grain parallelism is obtained, and a near-perfect load balance results. In uni-partitioning every processor receives responsibility for exactly one block of grid points instead of several. This necessitates fine-grain pipelined program execution in order to obtain a reasonable load balance. Although fine-grain parallelism is less desirable on many systems, especially high-latency networks of workstations, uni-partition methods are still in wide use in production codes for flow problems. Consequently, it remains important to achieve good efficiency with this technique that has essentially been superseded by multi-partitioning for parallel ADI-type algorithms. Another reason for the concentration on improving the performance of pipeline methods is their applicability in other types of flow solver kernels with stronger implied data dependence. Analytical expressions can be derived for the size of the dynamic load imbalance incurred in traditional pipelines. From these it can be determined what is the optimal first-processor retardation that leads to the shortest total completion time for the pipeline process. Theoretical predictions of pipeline performance with and without optimization match experimental observations on the iPSC/860 very well. Analysis of pipeline performance also highlights the effect of uncareful grid partitioning in flow solvers that employ pipeline algorithms. If grid blocks at boundaries are not at least as large in the wall-normal direction as those immediately adjacent to them, then the first processor in the pipeline will receive a computational load that is less than that of subsequent processors, magnifying the pipeline slowdown effect. Extra compensation is needed for grid boundary effects, even if all grid blocks are equally sized.

Vanderwijngaart, Rob F.↗
NASA NTRS2011

Estimation of Smoothing Error in SBUV Profile and Total Ozone Retrieval

Data from the Nimbus-4, Nimbus-7 Solar Backscatter Ultra Violet (SBUV) and seven of the NOAA series of SBUV/2 instruments spanning 41 years are being reprocessed using V8.6 algorithm. The data are scheduled to be released by the end of August 2011. An important focus of the new algorithm is to estimate various sources of errors in the SBUV profiles and total ozone retrievals. We discuss here the smoothing errors that describe the components of the profile variability that the SBUV observing system can not measure. The SBUV(/2) instruments have a vertical resolution of 5 km in the middle stratosphere, decreasing to 8 to 10 km below the ozone peak and above 0.5 hPa. To estimate the smoothing effect of the SBUV algorithm, the actual statistics of the fine vertical structure of ozone profiles must be known. The covariance matrix of the ensemble of measured ozone profiles with the high vertical resolution would be a formal representation of the actual ozone variability. We merged the MLS (version 3) and sonde ozone profiles to calculate the covariance matrix, which in general case, for single profile retrieval, might be a function of the latitude and month. Using the averaging kernels of the SBUV(/2) measurements and calculated total covariance matrix one can estimate the smoothing errors for the SBUV ozone profiles. A method to estimate the smoothing effect of the SBUV algorithm is described and the covariance matrixes and averaging kernels are provided along with the SBUV(/2) ozone profiles. The magnitude of the smoothing error varies with altitude, latitude, season and solar zenith angle. The analysis of the smoothing errors, based on the SBUV(/2) monthly zonal mean time series, shows that the largest smoothing errors were detected in the troposphere and might be as large as 15-20% and rapidly decrease with the altitude. In the stratosphere above 40 hPa the smoothing errors are less than 5% and between 10 and 1 hPa the smoothing errors are on the order of 1%. We validate our estimated smoothing errors by comparing the SBUV ozone profiles with other ozone profiling sensors.

Kramarova, N. A.↗
NASA NTRSDate not supplied

Explore Information Content Efficiently from Current and Future Hyperspectral Satellite Missions using a Spectral Fingerprinting Method

Hyperspectral remote sensors from current and future missions provide measurements of the Top of Atmosphere (TOA) radiance or reflectance spectra with high information content. For example, the Atmospheric Infrared Sounder (AIRS), together with the Cross-track Infrared Sounder (CrIS), and the Infrared Atmospheric Sounding Interferometer (IASI) have provided more than 20 years radiance measurements with thousands of spectral channels. These measurements will be continued for the next two decades with the same or more advanced hyperspectral sensors. The upcoming missions such as NASA’s CLARREO Pathfinder (CPF) and ESA’s TRUTHS will provide unprecedented accurate TOA hyperspectral radiance measurements in solar spectral region. Traditional ways to derive Climate Data Records (CDRs) from these measurements are performing spatial and temporal averages of the retrieved Level-2 products. However, it is a time-consuming process to generate decades of Level-2 data from Level-1 data. Furthermore, the differences in Level-2 algorithms used for different satellite sensors will introduce errors in derived CDRs. In this presentation, we will describe a spectral fingerprinting method to generate high-quality CDRs directly from spatiotemporally averaged Level-1 data. By using consistent radiative kernels which contain the spectral information of various atmospheric and surface CDRs, we can reduce the errors due to algorithm inconsistency. Additionally, the spectral fingerprinting method reduces the time needed to generate CDRs by more than three orders of magnitude. This makes it easy to reprocess CDRs once the Level-1 data from different satellites have been improved via either re-calibrations or inter-satellite calibrations. We will present results of applying spectral fingerprinting method to 20-years of AIRS and CrIS data. The resulting CDRs include: 1) vertical profiles of atmospheric temperature and water vapor, 2) cloud properties such as optical depth, effective size, and height, 3) vertical profiles or column amounts for atmospheric trace gases such as O3 and CO, and 4) surface emissivity spectra and skin temperatures. These CDRs will be publicly available at NASA GES DISC in late 2024. The same fingerprinting method is planned to be applied to future CPF and TRUTHS data for solar spectral region.

hyperspectral remote sensing↗