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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Sampling Conditions for Conforming Voronoi Meshing by the VoroCrust Algorithm

We study the problem of decomposing a volume with a smooth boundary into a collection of Voronoi cells. Unlike the dual problem of conforming Delaunay meshing, a principled solution to this problem for generic smooth surfaces remained elusive. VoroCrust leverages ideas from weighted α-shapes and the power crust algorithm to produce unweighted Voronoi cells conforming to the surface, yielding the first provably-correct algorithm for this problem. Given a κ-sparse ε-sample, we work with the balls of radius δ times the local feature size centered at each sample. The corners of the union of these balls on both sides of the surface are the Voronoi sites and the interface of their cells is a watertight surface reconstruction embedded in the dual shape of the union of balls. With the surface protected, the enclosed volume can be further decomposed by generating more sites inside it. Compared to clipping-based algorithms, VoroCrust cells are full Voronoi cells, with convexity and fatness guarantees. Compared to the power crust algorithm, VoroCrust cells are not filtered, are unweighted, and offer greater flexibility in meshing the enclosed volume by either structured or randomly genenerated samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Multi-element stochastic spectral projection for high quantile estimation

We investigate quantile estimation by multi-element generalized Polynomial Chaos (gPC) metamodel where the exact numerical model is approximated by complementary metamodels in overlapping domains that mimic the model’s exact response. The gPC metamodel is constructed by the non-intrusive stochastic spectral projection approach and function evaluation on the gPC metamodel can be considered as essentially free. Thus, large number of Monte Carlo samples from the metamodel can be used to estimate α-quantile, for moderate values of α. As the gPC metamodel is an expansion about the means of the inputs, its accuracy may worsen away from these mean values where the extreme events may occur. By increasing the approximation accuracy of the metamodel, we may eventually improve accuracy of quantile estimation but it is very expensive. A multi-element approach is therefore proposed by combining a global metamodel in the standard normal space with supplementary local metamodels constructed in bounded domains about the design points corresponding to the extreme events. To improve the accuracy and to minimize the sampling cost, sparse-tensor and anisotropic-tensor quadratures are tested in addition to the full-tensor Gauss quadrature in the construction of local metamodels; different bounds of the gPC expansion are also examined. The global and local metamodels are combined in the multi-element gPC (MEgPC) approach and it is shown that MEgPC can be more accurate than Monte Carlo or importance sampling methods for high quantile estimations for input dimensions roughly below N=8, a limit that is very much case- and α-dependent.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2010

Frequency extrapolation by nonconvex compressive sensing

Tomographic imaging modalities sample subjects with a discrete, finite set of measurements, while the underlying object function is continuous. Because of this, inversion of the imaging model, even under ideal conditions, necessarily entails approximation. The error incurred by this approximation can be important when there is rapid variation in the object function or when the objects of interest are small. In this work, we investigate this issue with the Fourier transform (FT), which can be taken as the imaging model for magnetic resonance imaging (MRl) or some forms of wave imaging. Compressive sensing has been successful for inverting this data model when only a sparse set of samples are available. We apply the compressive sensing principle to a somewhat related problem of frequency extrapolation, where the object function is represented by a super-resolution grid with many more pixels than FT measurements. The image on the super-resolution grid is obtained through nonconvex minimization. The method fully utilizes the available FT samples, while controlling aliasing and ringing. The algorithm is demonstrated with continuous FT samples of the Shepp-Logan phantom with additional small, high-contrast objects.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Data-driven surrogate modeling of hPIC ion energy-angle distributions for high-dimensional sensitivity analysis of plasma parameters' uncertainty

In this work, we present a data-driven strategy for effective construction of a surrogate model in high-dimensional parameter space for the ion energy-angle distribution (IEAD) output of hPIC simulations of plasma-surface interactions. The methodology is based on a bin-by-bin least-squares fitting of the IEAD in the parameter space. The fitting is performed in a transformed coordinate system to normalize the IEAD, and it employs sparse grids for sampling the parameter space to overcome sampling challenges in high dimensions. The surrogate model is significantly cheaper computationally than direct hPIC simulations yet maintains high fidelity to them, providing a fast emulator for hPIC simulations. Sensitivity analysis based on the surrogate model is utilized to characterize the dependence of the ion impact angle and energy moments on the physical parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Global analysis of night marine air temperature and its uncertainty since 1880

An updated version of the Met Office Hadley Centre's monthly night marine air temperature data set is presented. It is available on a 5° latitude-longitude grid from 1880 as anomalies relative to 1961–1990 calendar-monthly climatological average night marine air temperature (NMAT). Adjustments are made for changes in observation height; these depend on estimates of the stability of the near surface atmospheric boundary layer. In previous versions of the data set, ad hoc adjustments were also made for three periods and regions where poor observational practice was prevalent. These adjustments are re-examined. Estimates of uncertainty are calculated for every grid box and result from measurement errors, uncertainty in adjustments applied to the observations, uncertainty in the measurement height, and under-sampling. The new data set is a clear improvement over previous versions in terms of coverage because of the recent digitization of historical observations from ships' logbooks. However, the periods prior to about 1890 and around World War II remain particularly uncertain, and sampling is still sparse in some regions in other periods. A further improvement is the availability of uncertainty estimates for every grid box and every month. Previous versions required adjustments that were dependent on contemporary measurements of sea surface temperature (SST); to avoid these, the new data set starts in 1880 rather than 1856. Overall agreement with variations of SST is better for the updated data set than for previous versions, supporting existing estimates of global warming and increasing confidence in the global record of temperature variability and change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Stratigraphic Identification with Airborne Electromagnetic Methods at the Hanford Site, Washington

Stratigraphic units can influence the fate and transport of subsurface contaminants within groundwater. Units having coarse-grained sediments act as preferential flow pathways, and therefore can accelerate the transport of contaminants to reach human and ecological receptors. At legacy waste sites, detailed knowledge of subsurface stratigraphy can be used for effective monitoring and remediation planning to help minimize risk to human health and the environment. Airborne electromagnetic (AEM) methods can non-invasively provide information on kilometer-scale or larger subsurface stratigraphic features and fill informational gaps in directly sampled data from sparsely located boreholes. In this paper, we present inversion results of a 412 line-km frequency-domain AEM survey to delineate subsurface stratigraphic features at the Hanford Site, located in southeastern Washington State. The inversion was performed using a massively parallel 3D electromagnetic modeling and inversion code, where the modeling is based on solving frequency-domain Maxwell’s equations using an unstructured-mesh finite-element method and the inversion employs a Gauss-Newton optimization scheme. The results are compared to an underlying geologic framework model (GFM), built by interpolating contact depths of stratigraphic units interpreted from site borehole datasets. In areas with good borehole coverage, the inversion results show a good match with the GFM to a depth of about 60 m. Outside of these areas, the inversion results exhibit inconsistencies from the assumptions made to create the GFM, demonstrating that the AEM survey results can be used to improve the understanding of the geological conceptual model.

47 OTHER INSTRUMENTATION↗
DOE OSTI2011

Very Forward Calorimetry at the LHC--Recent results from ATLAS

We present first results from the ATLAS Zero Degree Calorimeters (ZDC) based on 7 TeV pp collision data recorded in 2010. The ZDC coverage of {+-}{approx}350 {mu}rad about the forward direction makes possible the measurement of neutral particles (primarily {pi}{sup 0}'s and neutrons) over the kinematic region x{sub F} > or approx. 0.1 and out to p{sub T} < or approx. 1.2 GeV/c at large x{sub F}. The ATLAS ZDC is unique in that it provides a complete image of both electromagnetic and hadronic showers. This is illustrated with the reconstruction of {pi}{sup 0}'s with energies of 0.7-3.5 TeV. We also discuss the waveform reconstruction algorithm which has allowed good time-of-flight resolution on leading neutrons emerging from the collisions despite the sparse (40 MHz) sampling of the calorimeter signals used.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

COSMICFLOWS-2: THE DATA

Cosmicflows-2 is a compilation of distances and peculiar velocities for over 8000 galaxies. Numerically the largest contributions come from the luminosity-line width correlation for spirals, the Tully-Fisher relation (TFR), and the related fundamental plane relation for E/S0 systems, but over 1000 distances are contributed by methods that provide more accurate individual distances: Cepheid, tip of the red giant branch (TRGB), surface brightness fluctuation, Type Ia supernova, and several miscellaneous but accurate procedures. Our collaboration is making important contributions to two of these inputs: TRGB and TFR. A large body of new distance material is presented. In addition, an effort is made to ensure that all the contributions, both our own and those from the literature, are on the same scale. Overall, the distances are found to be compatible with a Hubble constant H {sub 0} = 74.4 ± 3.0 km s{sup –1} Mpc{sup –1}. The great interest going forward with this data set will be with velocity field studies. Cosmicflows-2 is characterized by a great density and high accuracy of distance measures locally, falling to sparse and coarse sampling extending to z = 0.1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Optical Variability of ICRF3 Quasars in the Pan-STARRS 3Pi Survey with Functional Principal Component Analysis

We make use of individual (epoch) detection data from the Pan-STARRS “3π” survey for 2863 optical ICRF3 counterparts in the five wavelength bands g, r, i, z, and y, published as part of the Data Release 2. A dedicated method based on the Functional Principal Component Analysis is developed for these sparse and irregularly sampled data. With certain regularization and normalization constraints, it allows us to obtain uniform and compatible estimates of the variability amplitudes and average magnitudes between the passbands and objects. We find that the starting assumption of affinity of the light curves for a given object at different wavelengths is violated for several percent of the sample. The distributions of rms variability amplitudes are strongly skewed toward small values, peaking at ∼0.1 mag with tails stretching to 2 mag. Statistically, the lowest variability is found for the r band and the largest for the reddest y band. A small “brighter-redder” effect is present, with amplitudes in y greater than amplitudes in g in 57% of the sample. The variability versus redshift dependence shows a strong decline with z toward redshift 3, which we interpret as the time dilation of the dominant time frequencies. The colors of radio-loud ICRF3 quasars are correlated with redshift in a complicated, wavy pattern governed by the emergence of brightest emission lines within the five passbands.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Code for multi-shape Gaussian process (GP) fitting with uncertainty quantification (UQ)

This is code associated with the publication “Nonparametric Multi-shape Modeling with Uncertainty Quantification,” authored by Hengrui Luo (Lawrence Berkeley National Laboratory) and Justin Strait (Los Alamos National Laboratory). The code is used to fit multiple-output Gaussian process (GP) models of planar closed curves to collections of ordered point sets, allowing for flexible nonlinear prediction of the underlying curve under dense or sparse point set samplings and with or without noise, as well as tractable uncertainty quantification. To do this, we employ use of a periodic kernel to account for the nonlinear input space of closed curves, and combine with coregionalization models to account for dependence both (i) between curve coordinates, and (ii) between pairs of curves. Functions in the code are capable of fitting these models, as well as performing additional tasks with the fitted curves such as (a) shape registration and alignment, (b) shape averaging, and (c) fitting for curve sub-populations / clusters.

Strait, Justin↗
DOE OSTI2016

An Efficient Multicore Implementation of a Novel HSS-Structured Multifrontal Solver Using Randomized Sampling

Here, we present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination and exploits low-rank approximation of the resulting dense frontal matrices. We use hierarchically semiseparable (HSS) matrices, which have low-rank off-diagonal blocks, to approximate the frontal matrices. For HSS matrix construction, a randomized sampling algorithm is used together with interpolative decompositions. The combination of the randomized compression with a fast ULV HSS factoriz ation leads to a solver with lower computational complexity than the standard multifrontal method for many applications, resulting in speedups up to 7 fold for problems in our test suite. The implementation targets many-core systems by using task parallelism with dynamic runtime scheduling. Numerical experiments show performance improvements over state-of-the-art sparse direct solvers. The implementation achieves high performance and good scalability on a range of modern shared memory parallel systems, including the Intel Xeon Phi (MIC). The code is part of a software package called STRUMPACK - STRUctured Matrices PACKage, which also has a distributed memory component for dense rank-structured matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Estimating rates and patterns of diversification with incomplete sampling: a case study in the rosids

Premise Recent advances in generating large‐scale phylogenies enable broad‐scale estimation of species diversification. These now common approaches typically are characterized by (1) incomplete species coverage without explicit sampling methodologies and/or (2) sparse backbone representation, and usually rely on presumed phylogenetic placements to account for species without molecular data. We used empirical examples to examine the effects of incomplete sampling on diversification estimation and provide constructive suggestions to ecologists and evolutionary biologists based on those results. Methods We used a supermatrix for rosids and one well‐sampled subclade (Cucurbitaceae) as empirical case studies. We compared results using these large phylogenies with those based on a previously inferred, smaller supermatrix and on a synthetic tree resource with complete taxonomic coverage. Finally, we simulated random and representative taxon sampling and explored the impact of sampling on three commonly used methods, both parametric (RPANDA and BAMM) and semiparametric (DR). Results We found that the impact of sampling on diversification estimates was idiosyncratic and often strong. Compared to full empirical sampling, representative and random sampling schemes either depressed or inflated speciation rates, depending on methods and sampling schemes. No method was entirely robust to poor sampling, but BAMM was least sensitive to moderate levels of missing taxa. Conclusions We suggest caution against uncritical modeling of missing taxa using taxonomic data for poorly sampled trees and in the use of summary backbone trees and other data sets with high representative bias, and we stress the importance of explicit sampling methodologies in macroevolutionary studies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

The stellar density profile of the distant galactic halo

We use extensive gravity-sensitive DDO 51 photometry over 5100 square degrees, combined with Sloan Digital Sky Survey broadband photometry, to select a catalog of ∼4000 giant stars covering a large fraction of the high Galactic latitude sky and reaching out to ∼80 kpc in the Galactic halo. This sample of bright and unbiased tracers enables us to measure the radial profile and 3D structure of the stellar halo to large distances, which had previously only been measured with sparse tracers or small samples. Using population synthesis models to reproduce the observed giant star luminosity function, we find that the halo maintains a r{sup −3.5} profile from 30 to 80 kpc with no signs of a truncation or sharp break over this range. The radial profile measurement is largely insensitive to individual halo substructure components, but we find that attempting to measure the shape of the halo is overwhelmed by the Sagittarius stream such that no elliposidal shape is a satisfactory description in this region. These measurements allow us to begin placing the Milky Way in context with the growing sample of external galaxies where similar halo profile measurements are available, with the goal of further linking the properties of stellar halos to the accretion histories that formed them.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Stochastic Gradients for Large-Scale Tensor Decomposition

Tensor decomposition is a well-known tool for multiway data analysis. This work proposes using stochastic gradients for efficient generalized canonical polyadic (GCP) tensor decomposition of large-scale tensors. GCP tensor decomposition is a recently proposed version of tensor decomposition that allows for a variety of loss functions such as Bernoulli loss for binary data or Huber loss for robust estimation. Here, the stochastic gradient is formed from randomly sampled elements of the tensor and is efficient because it can be computed using the sparse matricized-tensor times Khatri--Rao product tensor kernel. For dense tensors, we simply use uniform sampling. For sparse tensors, we propose two types of stratified sampling that give precedence to sampling nonzeros. Numerical results demonstrate the advantages of the proposed approach and its scalability to large-scale problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Micro-imaging of Brain Cancer Radiation Therapy Using Phase-contrast Computed Tomography

Experimental neuroimaging provides a wide range of methods for the visualization of brain anatomic morphology down to subcellular detail. Still, each technique-specific detection mechanism presents compromises among the achievable field-of-view size, spatial resolution, and nervous tissue sensitivity, leading to partial sample coverage, unresolved morphologic structures, or sparse labeling of neuronal populations and often also to obligatory sample dissection or other sample invasive manipulations. X-ray phase-contrast imaging computed tomography (PCI-CT) is an experimental imaging method that simultaneously provides micrometric spatial resolution, high soft-tissue sensitivity, and ex vivo full organ rodent brain coverage without any need for sample dissection, staining or labeling, or contrast agent injection. In the present study, we explored the benefits and limitations of PCI-CT use for in vitro imaging of normal and cancerous brain neuromorphology after in vivo treatment with synchrotron-generated x-ray microbeam radiation therapy (MRT), a spatially fractionated experimental high-dose radiosurgery. The goals were visualization of the MRT effects on nervous tissue and a qualitative comparison of the results to the histologic and high-field magnetic resonance imaging findings.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2010

Parallel Environment for the Creation of Stochastics 1.0

PECOS is a computational library for creating and manipulating realizations of stochastic quantities, including scalar uncertain variables, random fields, and stochastic processes. It offers a unified interface to univariate and multivariate polynomial approximations using either orthogonal or interpolation polynomials; numerical integration drivers for Latin hypercube sampling, quadrature, cubature, and sparse grids; and fast Fourier transforms using third party libraries. The PECOS core also offers statistical utilities and transformations between various representations of stochastic uncertainty. PECOS provides a C++ API through which users can generate and transform realizations of stochastic quantities. It is currently used by Sandia's DAKOTA, Stokhos, and Encore software packages for uncertainty quantification and verification. PECOS generates random sample sets and multi-dimensional integration grids, typically used in forward propagation of scalar uncertainty in computational models (uncertainty quantification (UQ)). PECOS also generates samples of random fields (RFs) and stochastic processes (SPs) from a set of user-defined power spectral densities (PSDs). The RF/SP may be either Gaussian or non-Gaussian and either stationary or nonstationary, and the resulting sample is intended for run-time query by parallel finite element simulation codes. Finally, PECOS supports nonlinear transformations of random variables via the Nataf transformation and extensions.

Field Jr, Richard↗
DOE OSTI2024

Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays

Partitioned Global Address Space (PGAS) models exhibit tremendous promise in developing efficient and productive distributed-memory parallel applications. They have been used extensively in scientific computations due to conveniently offering a ``shared-memory''-like model and convenient interfaces that separate communication with synchronization. Traditionally, PGAS communication models have been applied to dense/contiguously distributed data, but most modern applications depict varied levels of sparsity. Existing PGAS models require certain adaptations to support distributed sparse computations, since associated computations often require matrix arithmetic, in addition to data movement. The Global Arrays toolkit from Pacific Northwest National Laboratory (PNNL) is one of the earliest PGAS models to combine one-sided data communication and distributed matrix operations and is still used in the popular NWChem quantum chemistry suite. Recently, we have expanded the Global Arrays toolkit to support common sparse operations, like sparse matrix-dense matrix multiplies (SpMM), sparse matrix-sparse matrix multiplication (SpGEMM) and Sampled Dense-Dense Matrix Multiplication (SDDMM). As it turns out, these operations are the bedrock of sparse Deep Learning (DL); sparse deep neural networks and Graph Neural Networks (GNNs) have gained increasing attention recently in achieving speedups on training and inference with reduced memory footprints. Unlike scientific applications in High Performance Computing (HPC), modern (distributed-memory capable) DL toolkits often rely on non-standardized and closed-source vendor software optimizations, creating challenges in software-hardware co-design at scale. Our goal is to support a variety of distributed-memory sparse matrix operations and helper functions in the newly created Sparse Global Arrays (SGA), such that it is possible to build portable and productive Machine Learning scenarios for algorithm/software and hardware codesign purposes. Contemporary data-parallel schemes for training/inference are undergoing a major overhaul since model replication limits scalability and causes resource inefficiencies. As such, we have adopted tensor parallelism in decomposing the model and inputs, to mitigate memory issues. Current implementation is built on top of MPI and uses CPUs to maximize the portability across the platforms.

Distributed computing, machine learning↗
DOE OSTI2024

A graphics processing unit accelerated sparse direct solver and preconditioner with block low rank compression

We present the GPU implementation efforts and challenges of the sparse solver package STRUMPACK. The code is made publicly available on github with a permissive BSD license. STRUMPACK implements an approximate multifrontal solver, a sparse LU factorization which makes use of compression methods to accelerate time to solution and reduce memory usage. Multiple compression schemes based on rank-structured and hierarchical matrix approximations are supported, including hierarchically semi-separable, hierarchically off-diagonal butterfly, and block low rank. Here, in this paper, we present the GPU implementation of the block low rank (BLR) compression method within a multifrontal solver. Our GPU implementation relies on highly optimized vendor libraries such as cuBLAS and cuSOLVER for NVIDIA GPUs, rocBLAS and rocSOLVER for AMD GPUs and the Intel oneAPI Math Kernel Library (oneMKL) for Intel GPUs. Additionally, we rely on external open source libraries such as SLATE (Software for Linear Algebra Targeting Exascale), MAGMA (Matrix Algebra on GPU and Multi-core Architectures), and KBLAS (KAUST BLAS). SLATE is used as a GPU-capable ScaLAPACK replacement. From MAGMA we use variable sized batched dense linear algebra operations such as GEMM, TRSM and LU with partial pivoting. KBLAS provides efficient (batched) low rank matrix compression for NVIDIA GPUs using an adaptive randomized sampling scheme. The resulting sparse solver and preconditioner runs on NVIDIA, AMD and Intel GPUs. Interfaces are available from PETSc, Trilinos and MFEM, or the solver can be used directly in user code. We report results for a range of benchmark applications, using the Perlmutter system from NERSC, Frontier from ORNL, and Aurora from ALCF. For a high frequency wave equation on a regular mesh, using 32 Perlmutter compute nodes, the factorization phase of the exact GPU solver is about 6.5× faster compared to the CPU-only solver. The BLR-enabled GPU solver is about 13.8× faster than the CPU exact solver. For a collection of SuiteSparse matrices, the STRUMPACK exact factorization on a single GPU is on average 1.9× faster than NVIDIA’s cuDSS solver.

97 MATHEMATICS AND COMPUTING↗