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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 OSTI2017

Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems at the Exascale

The thrust of the proposal was to exploit modern data-mining tools in a way that will create a systematic, computer-assisted approach to the representation of random media -- and also to the representation of the solutions of an array of important physicochemical processes that take place in/on such media. A parsimonious representation/parametrization of the random media links directly (via uncertainty quantification tools) to good sampling of the distribution of random media realizations. It also links directly to modern multiscale computational algorithms (like the equation-free approach that has been developed in our group) and plays a crucial role in accelerating the scientific computation of solutions of nonlinear PDE models (deterministic or stochastic) in such media – both solutions in particular realizations of the random media, and estimation of the statistics of the solutions over multiple realizations (e.g. expectations).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A compressed sensing X-ray camera with a multilayer architecture

Recent advances in compressed sensing theory and algorithms offer new possibilities for high-speed X-ray camera design. In many CMOS cameras, each pixel has an independent on-board circuit that includes an amplifier, noise rejection, signal shaper, an analog-to-digital converter (ADC), and optional in-pixel storage. When X-ray images are sparse, i.e., when one of the following cases is true: (a.) The number of pixels with true X-ray hits is much smaller than the total number of pixels; (b.) The X-ray information is redundant; or (c.) Some prior knowledge about the X-ray images exists, sparse sampling may be allowed. In this work, we first illustrate the feasibility of random on-board pixel sampling (ROPS) using an existing set of X-ray images, followed by a discussion about signal to noise as a function of pixel size. Next, we describe a possible circuit architecture to achieve random pixel access and in-pixel storage. The combination of a multilayer architecture, sparse on-chip sampling, and computational image techniques, is expected to facilitate the development and applications of high-speed X-ray camera technology.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Fast estimation of the look-elsewhere effect using Gaussian random fields

Abstract We discuss the use of Gaussian random fields to estimate the look-elsewhere effect correction. We show that Gaussian random fields can be used to model the null-hypothesis significance maps from a large set of statistical problems commonly encountered in physics, such as template matching and likelihood ratio tests. Some specific examples are searches for dark matter using pixel arrays, searches for astronomical transients, and searches for fast-radio bursts. Gaussian random fields can be sampled efficiently in the frequency domain, and the excursion probability can be fitted with these samples to extend any estimation of the look-elsewhere effect to lower p values. In addition, in cases where the Gaussian random field is stationary and the parameter space is Euclidean, the look-elsewhere effect correction can be computed analytically. We demonstrate these methods using two example template matching problems. Finally, we apply these methods to estimate the trial factor of a $$4^3$$ 4 3 accelerometer array for the detection of dark matter tracks in the Windchime project. When a global significance of $$3\sigma $$ 3 σ is required, the estimated trial factor for such an accelerometer array is $$10^{14}$$ 10 14 for a one-second search, and $$10^{22}$$ 10 22 for a 1-year search.

Qin, Juehang (ORCID:0000000182288949)↗
DOE OSTI2017

Compressive Classification for TEM-EELS

Acquiring atomic-resolution images of beam sensitive materials or under dynamic conditions (e.g. operando STEM) is very difficult and requires precise dose fractioning to minimize the dose delivered to the sample and acquire the data more rapidly than dynamics present. Typical methods of low-dose STEM imaging include adjusting the beam current, dwell-time, and probe Scanning transmission electron microscopy (STEM) is used routinely to obtain atomic-resolution images of a small selection of radiation tolerant materials under stable conditions.size. All three of these determine the dose over a spatial area in STEM. Recently, compressive sensing [1] has been applied to electron microscopy. The computational imaging method of inpainting [2] has been proposed as a method to reduce dose and increase acquisition speed for STEM. Inpainting is a technique to recover missing pixels in an image. By skipping pixels (randomly) during acquisition, a fourth dose-control mechanism is realized [3]. A few implementations of randomly-subsampled STEM exist (e.g., [4]). To make the concepts of compressive sensing accessible to the microscopy community we begin with an example using atomic resolution images of a GaAs crystal (see Figure 1). Because the crystal is periodic it has a sparse representation in reciprocal space. In fact, a sparse representation is a key component of compressive sensing. If an image is sub-sampled randomly we find that the Fourier transform remains sparse, but becomes increasing noisy as less and less data is acquired. Yet, by finding the peaks in the reciprocal image and removing the noise it is possible to recover atomic resolution images with only 1% of the pixels. Figure 1 shows the reconstruction process for GaAs sub-sampled at 50%, 10%, 5%, and 1%. Periodic images form a special class for which the optimal sampling approach (according to CS theory) is a random selection of pixels. For non-periodic images, such as those arising in in-situ STEM, methods such as dictionary learning are necessary [2,5]. The data can be compressed in time for TEM [5] or pixels can be skipped randomly for STEM. There are several issues that arise in developing a random scan for STEM [4] and a coded aperture for TEM. The remainder of the talk will address these issues. References: [1] E Candes and M Wakin. Signal Processing Magazine, IEEE. 2(25) (2008), pp. 21. [2] A Stevens, Pu Y, Sun Y, et al. Artificial Intelligence & Statistics (AISTATS), 2017. [3] A Stevens, H Yang, L Carin et al. Microscopy 63(1), (2014), pp. 41. [4] L Kovarik, A Stevens, A Liyu et al. Appl. Phys. Lett. 109, 164102 (2016). [5] A Stevens, L Kovarik, P Abellan et al. Adv. Structural and Chemical Imaging 1(10), (2015), pp. 1. [6] Supported by the Chemical Imaging, Signature Discovery, and Analytics in Motion Initiatives at PNNL. PNNL is operated by Battelle Memorial Inst. for the US DOE; contract DE-AC05-76RL01830.

Hao, Weituo↗
DOE OSTI2019

Effect of Ion (Ar{sup +}) Irradiation on Cluster Magnetism and Magnetic Interactions in Fe{sub 67}Cr{sub 18}B{sub 15} Amorphous Alloy

The comparison of the resonance magnetic absorption spectra with the data on structure and magnetic properties of Fe{sub 67}Cr{sub 18}B{sub 15} amorphous samples has shown that a randomly inhomogeneous medium of amorphous alloy is multiphase. Two types of samples with the same chemical composition, but with a different clusterized structure, and the use of (Ar{sup +}) ion irradiation in the experiment made it possible to separate four basic phases with different magnetic properties. The basic phase α-(Fe,Cr) contains large clusters of D < 400 Å in size with a tendency to phase separation of iron (α-Fe) and chromium (α-Cr), which under irradiation, enhances the competing FM and AFM magnetic interactions and increases the intensity of the resonance magnetic absorption lines associated with α-Fe and α-Cr. The phase Fe{sub 3}B (D < 100 Å) is detected by independent line in the resonance absorption spectra only when its groupings are isolated from the α-(Fe,Cr) metal phase clusters. The fourth phase contains precluster groupings and disappears when the sample is irradiated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Intelligent Sampling of Extreme-Scale Turbulence Datasets for Accurate and Efficient Spatiotemporal Model Training

With the end of Moore’s law and Dennard scaling, efficient training increasingly requires rethinking data volume. Can we train better models with significantly less data via intelligent subsampling? To explore this, we develop SICKLE, a sparse intelligent curation framework for efficient learning, featuring a novel maximum entropy (MaxEnt) sampling approach, scalable training, and energy benchmarking. We compare MaxEnt with random and phase-space sampling on large direct numerical simulation (DNS) datasets of turbulence. Evaluating SICKLE at scale on Frontier, we show that subsampling as a preprocessing step can, in many cases, improve model accuracy and substantially lower energy consumption, with observed reductions of up to 38×.

Brewer, Wes [ORNL] (ORCID:0000000236393956)↗
NASA NTRS2020

Designing an Optimal Ensemble Strategy for GMAO S2S Forecast System

The NASA Global Modeling and Assimilation Office (GMAO) Sub-seasonal to Seasonal (S2S) prediction system is being readied for a major upgrade. An important factor in successful extended range forecasting is the definition of the ensemble. Our overall strategy is to run a relatively large ensemble of about 40 members up to 3 months (focusing on the sub-seasonal forecast problem), after which we sub-sample the ensemble, and continue the forecast with about 10 members (up to 12 months). Here we present the results of our testing of various ways to generate the initial perturbations and the validation of a stratified sampling approach for choosing the members of the smaller ensemble. For the initialization of the ensemble we propose a combination of lagged and burst initial conditions. To generate perturbations for the burst ensemble members we used scaled differences of pairs of analysis states (chosen randomly from the corresponding season) separated by 1-10 days. We consider perturbing separately the atmosphere and the ocean, or both. By varying the separation times between the analysis states, we are able to produce perturbations that resemble well-known modes of variability. Focusing on the ENSO SST indices, we found that all types of perturbations are important for the ensemble spread with, however, considerable differences in the timing of the impacts on spread for the atmospheric and oceanic perturbations.Our initial (larger) ensemble size was determined so as to maximize the skill of predicting some of the leading modes of boreal winter atmospheric modes (namely the NAO, PNA and AO). Since it is not feasible for us to run with the larger ensemble beyond about 3 months, we employ a stratified sampling procedure that identifies the emerging directions of error growth to subset the ensemble. By comparing the results from the stratified ensemble with that of the randomly sampled ensemble of the same size, we find that the former provides substantially better estimates the mean of the original large ensemble.

Borovikov, Anna↗
DOE OSTI2025

Topography restoration in white-light interferometry using an instrument transfer function evaluated with binary pseudo-random arrays

Accurate knowledge of the instrument transfer function (ITF) is vital for topography measurements using white-light interferometry (WLI). To this end, we derive a complete set of analytical expressions for the power spectral density (PSD) of a discretely sampled binary pseudo-random array (BPRA) as a theoretical benchmark. We then determine the ITF by comparing this theoretical PSD with the measured PSD of the BPRA. For the Zygo ZeGage Pro HR with a objective, the determined ITF closely matches the nominal modulation transfer function (MTF). Accordingly, we integrate the nominal MTF into Fourier-domain restoration filters and apply them to practical WLI topography data, yielding restored topographies that show improved agreement with atomic force microscopy measurements. Overall, our integrated BPRA-based ITF measurement and filtering methodology offers a robust yet practical means of characterizing WLI performance and enhancing the accuracy of surface measurements.

Hirose, Shigenobu [Japan Agency for Marine Earth S↗
DOE OSTI2026

Reducing Randomized Quantum Algorithm Cost [Slides]

We derive the optimal sampling strategy for minimizing total resource cost in randomized quantum algorithms. Our framework is completely general, allowing for resources as diverse as gate counts circuit depth, runtime, or even dissipated energy.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Sampling inhomogeneous turbulent fields

The reconstruction of an inhomogeneous random process from a finite number of discrete samples can be performed in terms of the Karhunen-Loeve (KL) expansion for that process. The n(th) eigenfunction has n - 1 zero crossings which are the sampling points for the inhomogeneous process. The rapid variation of the KL eigenfunctions makes it unnecessary to have a high density of sampling (or grid points) near the wall. However, this result should not be construed to indicate that with spectral simulations significantly fewer grid points are required with the KL expansion as compared to other orthogonal expansions. Moin and Moser (1989) have shown that the advantage of the KL expansion over Chebychev expansion rapidly diminishes when high percentage (say 90 percent) energy recovery is demanded.

Adrian, R. J.↗
NASA NTRS1983

Spatial inventory integrating raster databases and point sample data

A timber inventory of the Eldorado National Forest, located in east-central California, provides an example of the use of a Geographic Information System (GIS) to stratify large areas of land for sampling and the collection of statistical data. The raster-based GIS format of the VICAR/IBIS software system allows simple and rapid tabulation of areas, and facilitates the selection of random locations for ground sampling. Algorithms that simplify the complex spatial pattern of raster-based information, and convert raster format data to strings of coordinate vectors, provide a link to conventional vector-based geographic information systems.

Strahler, A. H.↗
NASA NTRS1997

Two Extremely Red Galaxies

This report concerns one of the major observational studies in the ISO Central Programme, the ISO Normal Galaxy Survey. This is a survey of an unbiased sample of spiral and lenticular galaxies selected from the Revised Shapley-Ames Catalog. It is therefore optically-selected, with a brightness limit of blue magnitude = 12, and otherwise randomly chosen. The original sample included 150 galaxies, but this was reduced to 74 when the allocated observing time was expended because the ISO overheads encountered in flight were much larger than predicted.

Joseph, Robert D.↗
DOE OSTI2025

National serosurvey and risk mapping reveal widespread distribution of Coxiella burnetii in Kenya

Coxiella burnetii, the causative agent of Q fever, is an emerging pathogen that has the potential to cause severe chronic infections in animals and humans worldwide. The detrimental impact on public health is projected to be higher in the low- and middle-income countries given their lower capacity to sustain effective surveillance and response measures. We implemented a national serosurvey of cattle in Kenya to map the spatial distribution of the pathogen. The study used serum samples that were collected from randomly selected cattle in different ago-ecological zones across the country. These samples were screened for the pathogen using PrioCHECK Ruminant Q Fever AB Plate ELISA kit. The laboratory findings were analyzed using INLA package to identify risk factors for C. burnetii exposure from herd- and animal-level factors, area, and bioclimatic datasets accessed from online databases. A total of 6,593 cattle were recruited for the study; of these, 7.9% (95% CI; 7.2–8.5) were seropositive. Outputs from the multivariable analysis revealed that the animal age and some of the geographical variables including wind speed, area under shrubs and “petric calcisols” type of soil were significantly associated with C. burnetii seropositivity. Being a calf, weaner or subadult was associated with lower odds of exposure compared to being an adult by 0.24 (credibility interval: 2.5% and 97.5%), 0.41 (0.30–0.55) and 0.51 (0.38–0.69), respectively. In addition, a unit increase in the wind speed increased the odds of C. burnetii seropositivity by 1.27 (1.05–1.52) while an increase on the land area under shrubs was associated with lower odds of exposure (0.67 [0.47–0.69]). The effect of petric calcisols was non-linear; an increase of the land area with this soil type was associated with an exponential increase in C. burnetii seropositivity. This study provides new data on C. burnetii seroprevalence, information of its risk factors and a prevalence map that can be used for C. burnetii risk surveillance and control. The identification of environmental risk factors for C. burnetii exposure, and the increasing awareness of the zoonotic potential of the pathogen, calls for the need to enhance the existing collaborations for the surveillance and control of C. burnetii in line with the One Health framework. The evidence generated on the potential role of environmental factors can also be used to design nature-based interventions, such as replacement of vegetation in denuded areas, to reduce potential for the aerosolization of the pathogen. Livestock vaccination in the hotspots would also reduce animal infections and hence the contamination of the environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Circulating levels of micronutrients and risk of osteomyelitis: a Mendelian randomization study

Background Few observational studies have investigated the effect of micronutrients on osteomyelitis, and these findings are limited by confounding and conflicting results. Therefore, we conducted Mendelian randomization (MR) analyses to evaluate the association between blood levels of eight micronutrients (copper, selenium, zinc, vitamin B12, vitamin C, and vitamin D, vitamin B6, vitamin E) and the risk of osteomyelitis. Methods We performed the two-sample and multivariable Mendelian randomization (MVMR) to investigate causation, where instrument variables for the predictor (micronutrients) were derived from the summary data of micronutrients from independent cohorts of European ancestry. The outcome instrumental variables were used from the summary data of European-ancestry individuals ( n = 486,484). The threshold of statistical significance was set at p < 0.00625. Results We found a significant causal association that elevated zinc heightens the risk of developing osteomyelitis in European ancestry individuals OR = 1.23 [95% confidence interval (CI) [1.07, 1.43]; p = 4.26E-03]. Similarly, vitamin B6 showed a similar significant causal effect on osteomyelitis as a risk factor OR = 2.78 (95% CI [1.34, 5.76]; p = 6.04E-03; in the secondary analysis). Post-hoc analysis suggested this result (vitamin B6). However, the multivariable Mendelian randomization (MVMR) provides evidence against the causal association between zinc and osteomyelitis OR = 0.98(95% CI [−0.11, 0.07]; p = 7.20E-1). After searching in PhenoScanner, no SNP with confounding factors was found in the analysis of vitamin B6. There was no evidence of a reverse causal impact of osteomyelitis on zinc and vitamin B6. Conclusion This study supported a strong causal association between vitamin B6 and osteomyelitis while reporting a dubious causal association between zinc and osteomyelitis.

Zhang, Xu↗
DOE OSTI2019

Rigorous Data Fusion for Computationally Expensive Simulations

This manuscript comprises the final report for the 1-year, FY19 LDRD project "Rigorous Data Fusion for Computationally Expensive Simulations," wherein an alternative approach to Bayesian calibration was developed based a new sampling technique called VoroSpokes. Vorospokes is a novel quadrature and sampling framework defined with respect to Voronoi tessellations of bounded domains in $R^d$ developed within this project. In this work, we first establish local quadrature and sampling results on convex polytopes using randomly directed rays, or spokes, to approximate the quantities of interest for a specified target function. A theoretical justification for both procedures is provided along with empirical results demonstrating the unbiased convergence in the resulting estimates/samples. The local quadrature and sampling procedures are then extended to global procedures defined on more general domains by applying the local results to the cells of a Voronoi tessellation covering the domain in consideration. We then demonstrate how the proposed global sampling procedure can be used to define a natural framework for adaptively constructing Voronoi Piecewise Surrogate (VPS) approximations based on local error estimates. Finally, we show that the adaptive VPS procedure can be used to form a surrogate model approximation to a specified, potentially unnormalized, density function, and that the global sampling procedure can be used to efficiently draw independent samples from the surrogate density in parallel. The performance of the resulting VoroSpokes sampling framework is assessed on a collection of Bayesian inference problems and is shown to provide highly accurate posterior predictions which align with the results obtained using traditional methods such as Gibbs sampling and random-walk Markov Chain Monte Carlo (MCMC). Importantly, the proposed framework provides a foundation for performing Bayesian inference tasks which is entirely independent from the theory of Markov chains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

UQ Toolkit v 2.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterizaton and propagation of uncertainties in computational models. For the characterization of uncertainties, Bayesian inference tools are provided to infer uncertain model parameters, as well as Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, and also Karhunen-Loève expansions for representing stochastic processes. Uncertain parameters are treated as random variables and represented with Polynomial Chaos expansions (PCEs). The library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Safta, Cosmin↗
DOE OSTI2016

UQ Toolkit v. 3.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterization and propagation of uncertainties in computational models. This library provides Bayesian inference tools to infer uncertain model parameters, Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, methods for constructing Karhunen-Loève representations of stochastic processes, and global sensitivity analysis tools used to compute Sobol indices in order to characterize the importance of uncertain inputs or the interactions between them. The basis for many of these methods relies on representing random variables with Polynomial Chaos expansions (PCEs). This library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For the propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Sargsyan, Khachik↗
NASA NTRS1994

Two-sample discrimination of Poisson means

This paper presents a statistical test for detecting significant differences between two random count accumulations. The null hypothesis is that the two samples share a common random arrival process with a mean count proportional to each sample's exposure. The model represents the partition of N total events into two counts, A and B, as a sequence of N independent Bernoulli trials whose partition fraction, f, is determined by the ratio of the exposures of A and B. The detection of a significant difference is claimed when the background (null) hypothesis is rejected, which occurs when the observed sample falls in a critical region of (A, B) space. The critical region depends on f and the desired significance level, alpha. The model correctly takes into account the fluctuations in both the signals and the background data, including the important case of small numbers of counts in the signal, the background, or both. The significance can be exactly determined from the cumulative binomial distribution, which in turn can be inverted to determine the critical A(B) or B(A) contour. This paper gives efficient implementations of these tests, based on lookup tables. Applications include the detection of clustering of astronomical objects, the detection of faint emission or absorption lines in photon-limited spectroscopy, the detection of faint emitters or absorbers in photon-limited imaging, and dosimetry.

Lampton, M.↗