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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Identification of discriminant proteins through antibody profiling, methods and apparatus for identifying an individual

A method for determining a plurality of proteins for discriminating and positively identifying an individual based from a biological sample. The method may include profiling a biological sample from a plurality of individuals against a protein array including a plurality of proteins. The protein array may include proteins attached to a support in a preselected pattern such that locations of the proteins are known. The biological sample may be contacted with the protein array such that a portion of antibodies in the biological sample reacts with and binds to the proteins forming immune complexes. A statistical analysis method, such as discriminant analysis, may be performed to determine discriminating proteins for distinguishing individuals. Proteins of interest may be used to form a protein array. Such a protein array may be used, for example, to compare a forensic sample from an unknown source with a sample from a known source.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Accelerating Markov Chain Monte Carlo sampling with diffusion models

Global fits of physics models require efficient methods for exploring high-dimensional and/or multimodal posterior functions. We introduce a novel method for accelerating Markov Chain Monte Carlo (MCMC) sampling by pairing a Metropolis-Hastings algorithm with a diffusion model that can draw global samples with the aim of approximating the posterior. We briefly review diffusion models in the context of image synthesis before providing a streamlined diffusion model tailored towards low-dimensional data arrays. We then present our adapted Metropolis-Hastings algorithm which combines local proposals with global proposals taken from a diffusion model that is regularly trained on the samples produced during the MCMC run. Our approach leads to a significant reduction in the number of likelihood evaluations required to obtain an accurate representation of the Bayesian posterior across several analytic functions, as well as for a physical example based on a global fit of parton distribution functions. Our method is extensible to other MCMC techniques, and we briefly compare our method to similar approaches based on normalising flows. A code implementation can be found at https://github.com/NickHunt-Smith/MCMC-diffusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Estimation of combinatoric background in seaquest using an event-mixing method

All experiments observing dilepton pairs (e.g. e + e -, μ + μ - ) must confront the existence of a combinatoricbackground caused by the combining of tracks not arising from the same physics vertex. Some method must be devised to calculate and remove this background. In this document we describe a particular event-mixing method relying on many of the unique aspects of the SeaQuest spectrometer and data. The method described here calculates the combinatoric background with correct normalization; i.e., there is no need to assign a floating normalization factor that is then determined in a subsequent fitting procedure. Numerous tests are applied to demonstrate the reliability of the method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Controlling excited-state contamination in nucleon matrix elements

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1-flavor ensemble with lattices of size 32 3 × 64 generated using the rational hybrid Monte Carlo algorithm at 𝑎 = 0.081 fm and with 𝑀 𝜋 = 312 MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a 2-state fit to data at multiple values of the source-sink separation 𝑡 sep . We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost effectiveness. Here a detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of 𝑡 sep needed to demonstrate convergence of the isovector charges of the nucleon to the 𝑡 sep → ∞ estimates is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Median statistics estimate of the galactic rotational velocity

We compile a complete collection of 18 recent (from 2000 to 2017) measurements of Θ 0 , the rotational velocity of the Milky Way at R 0 (the radial distance of the Sun from the Galactic center). These measurements use tracers that are believed to more accurately reflect the systematic rotation of the Milky Way. Unlike other recent compilations of Θ 0 , our collection includes only independent measurements. We find that these 18 measurements are distributed in a mildly non-Gaussian fashion and a median statistics estimate indicates Θ 0 = 220 ± 10 kms –1 (2σ error) as the most reliable summary, at R 0 = 8.0 ± 0.3 kpc (2σ error).

(cosmology:) cosmological parameters↗
DOE OSTI2020

Measuring and Extracting Activity from Time Series Data

This report summarizes the results of an LDRD focused on developing and demonstrating statistically rigorous methods for analyzing and comparing complex activities from remote sensing data. Identifying activity from remote sensing data, particularly those that play out over time and span multiple locations, often requires extensive manual effort because of the variety of features that describe the activity and the required domain expertise. Our results suggest that there are some hidden challenges in extracting and representing activities in sensor data. In particular, we found that the variability in the underlying behaviors can be difficult to overcome statistically, and the report identifies several examples of the issue. We discuss key lessons learned in the context of the project, and finally conclude with recommendations on next steps and future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Advanced measurement techniques in quantum Monte Carlo: The permutation matrix representation approach

In a typical finite temperature quantum Monte Carlo (QMC) simulation, estimators for simple static observables such as specific heat and magnetization are known. With a great deal of system-specific manual labor, one can sometimes also derive more complicated non-local or even dynamic observable estimators. In contrast, we show that arbitrary static observables can be estimated within the permutation matrix representation (PMR) flavor for any Hamiltonian. We then generalize these results to general imaginary-time correlation functions and non-trivial integrated susceptibilities thereof. Finally, we demonstrate the practical versatility of our method by estimating various non-local, random observables for the transverse-field Ising model on a square lattice and a toy random model.

Permutation matrix representation↗
DOE OSTI2020

Evaluation of a pair-based, joint-likelihood association approach for regional infrasound event identification

SUMMARY A Bayesian framework for the association of infrasonic detections is presented and evaluated for analysis at regional propagation scales. A pair-based, joint-likelihood association approach is developed that identifies events by computing the probability that individual detection pairs are attributable to a hypothetical common source and applying hierarchical clustering to identify events from the pair-based analysis. The framework is based on a Bayesian formulation introduced for infrasonic source localization and utilizes the propagation models developed for that application with modifications to improve the numerical efficiency of the analysis. Clustering analysis is completed using hierarchical analysis via weighted linkage for a non-Euclidean distance matrix defined by the negative log-joint-likelihood values. The method is evaluated using regional synthetic data with propagation distances of hundreds of kilometres in order to study the sensitivity of the method to uncertainties and errors in backazimuth and time of arrival. The method is found to be robust and stable for typical uncertainties, able to effectively distinguish noise detections within the data set from those in events, and can be made numerically efficient due to its ease of parallelization.

58 GEOSCIENCES↗
DOE OSTI2024

Statistical data analysis of x-ray spectroscopy data enabled by neural network accelerated Bayesian inference

Bayesian inference applied to x-ray spectroscopy data analysis enables uncertainty quantification necessary to rigorously test theoretical models. However, when comparing to data, detailed atomic physics and radiation transfer calculations of x-ray emission from non-uniform plasma conditions are typically too slow to be performed in line with statistical sampling methods, such as Markov Chain Monte Carlo sampling. Furthermore, differences in transition energies and x-ray opacities often make direct comparisons between simulated and measured spectra unreliable. Here, we present a spectral decomposition method that allows for corrections to line positions and bound–bound opacities to best fit experimental data, with the goal of providing quantitative feedback to improve the underlying theoretical models and guide future experiments. In this work, we use a neural network (NN) surrogate model to replace spectral calculations of isobaric hot-spots created in Kr-doped implosions at the National Ignition Facility. The NN was trained on calculations of x-ray spectra using an isobaric hot-spot model post-processed with Cretin, a multi-species atomic kinetics and radiation code. The speedup provided by the NN model to generate x-ray emission spectra enables statistical analysis of parameterized models with sufficient detail to accurately represent the physical system and extract the plasma parameters of interest.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Uncovering the Forced Climate Response from a Single Ensemble Member Using Statistical Learning

Internal atmospheric variability fundamentally limits predictability of climate and obscures evidence of anthropogenic climate change regionally and on time scales of up to a few decades. Dynamical adjustment techniques estimate and subsequently remove the influence of atmospheric circulation variability on temperature or precipitation. The residual component is expected to contain the thermodynamical signal of the externally forced response but with less circulation-induced noise. Existing techniques have led to important insights into recent trends in regional (hydro-) climate and their drivers, but the variance explained by circulation is often low. Here, we develop a novel dynamical adjustment technique by implementing principles from statistical learning. We demonstrate in an ensemble of Community Earth System Model (CESM) simulations that statistical learning methods, such as regularized linear models, establish a clearer relationship between circulation variability and atmospheric target variables, and need relatively short periods of record for training (around 30 years). The method accounts for, on average, 83% and 78% of European monthly winter temperature and precipitation variability at gridcell level, and around 80% of global mean temperature and hemispheric precipitation variability. We show that the residuals retain forced thermodynamical contributions to temperature and precipitation variability. Accurate estimates of the total forced response can thus be recovered assuming that forced circulation changes are gradual over time. Overall, forced climate response estimates can be extracted at regional or global scales from approximately 3–5 times fewer ensemble members, or even a single realization, using statistical learning techniques. We anticipate the technique will contribute to reducing uncertainties around internal variability and facilitating climate change detection and attribution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Method for Producing Hierarchical and Statistically Calibrated Predictions of Nuclear Material Properties from Existing Models

Computer vision-based analysis of micrographs of nuclear materials is an emerging technique for property prediction, synthetic route identification, and other material analysis tasks. These analysis tasks play a pivotal role in many material characterization applications such as signature development for treaty verification, process optimization, etc. The backbone in many of the recent computer vision-based techniques is a deep learning model, which takes a fixed-size set of pixels and provides a class prediction for that set of pixels. For example, previous work developed a deep convolutional neural network (CNN) to predict the synthetic route from a 256 px x 256 px patch taken from a larger image of uranium ore concentrates. In this work, we present several methods for first calibrating these models in a manner that they can provide accurate probabilities of their predictions’ veracity, and several methods of combining these probabilities. Overall, the combination of these two steps into a pipeline allows for full-image and even full-sample (where a sample has many images) predictions with associated confidence values. Finally, we show that one can also use the patch predictions and confidence to produce a visualization to map predicted constituents through the image. Results and examples for predicting and mapping uranium ore concentrates’ synthetic process from imagery will be presented.

artificial intelligence↗
DOE OSTI2017

Fringing in MonoCam Y4 filter images

Here, we study the fringing patterns observed in MonoCam, a camera with a single Large Synoptic Survey Telescope (LSST) CCD sensor. Images were taken at the U.S. Naval Observatory in Flagstaff, Arizona (NOFS) employing its 1.3 m telescope and an LSST y4 filter. Fringing occurs due to the reflection of infrared light (700 nm or larger) from the bottom surface of the CCD which constructively or destructively interferes with the incident light to produce a net "fringe" pattern which is superimposed on all images taken. Emission lines from the atmosphere, dominated by hydroxyl (OH) spectra, can change in their relative intensities as the night goes on, producing different fringe patterns in the images taken. We found through several methods that the general shape of the fringe patterns remained constant, though with slight changes in the amplitude and phase of the fringes. Lastly, we also found that a superposition of fringes from two monochromatic lines taken in the lab offered a reasonable description of the sky data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Ensemble photometric redshifts

Upcoming imaging surveys, such as LSST, will provide an unprecedented view of the Universe, but with limited resolution along the line-of-sight. Common ways to increase resolution in the third dimension, and reduce misclassifications, include observing a wider wavelength range and/or combining the broad-band imaging with higher spectral resolution data. The challenge with these approaches is matching the depth of these ancillary data with the original imaging survey. However, while a full 3D map is required for some science, there are many situations where only the statistical distribution of objects (dN/dz) in the line-of-sight direction is needed. In such situations, there is no need to measure the fluxes of individual objects in all of the surveys. Rather a stacking procedure can be used to perform an `ensemble photo-z'. We show how a shallow, higher spectral resolution survey can be used to measure dN/dz for stacks of galaxies which coincide in a deeper, lower resolution survey. The galaxies in the deeper survey do not even need to appear individually in the shallow survey. We give a toy model example to illustrate tradeoffs and considerations for applying this method. This approach will allow deep imaging surveys to leverage the high resolution of spectroscopic and narrow/medium band surveys underway, even when the latter do not have the same reach to high redshift.

galaxies:distances and redshifts↗
DOE OSTI2024

Normalizing flows for domain adaptation when identifying Λ hyperon events

Here this study focuses on the application of a normalizing flow as a method of domain adaptation when classifying physics data. Normalizing flows offer a way to transform data points between two different distributions. The present study investigates a novel method of transforming latent representations of physics data to a normal distribution and then to a physics distribution again. The final distribution models a simulated distribution. After being transformed, the data can be classified by a neural network trained on labeled simulation data. The present study succeeds in training two normalizing flows that can transform between data (or simulation) and a Gaussian distribution.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Galaxy–Galaxy lensing in HSC: Validation tests and the impact of heterogeneous spectroscopic training sets

Although photometric redshifts (photo-z’s) are crucial ingredients for current and upcoming large-scale surveys, the high-quality spectroscopic redshifts currently available to train, validate, and test them are substantially non-representative in both magnitude and colour. We investigate the nature and structure of this bias by tracking how objects from a heterogeneous training sample contribute to photo-z predictions as a function of magnitude and colour, and illustrate that the underlying redshift distribution at fixed colour can evolve strongly as a function of magnitude. We then test the robustness of the galaxy–galaxy lensing signal in 120 deg 2 of HSC–SSP DR1 data to spectroscopic completeness and photo-z biases, and find that their impacts are sub-dominant to current statistical uncertainties. Our methodology provides a framework to investigate how spectroscopic incompleteness can impact photo-z-based weak lensing predictions in future surveys such as LSST and WFIRST .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Using machine learning to identify extragalactic globular cluster candidates from ground-based photometric surveys of M87

Globular clusters (GCs) have been at the heart of many longstanding questions in many sub-fields of astronomy and, as such, systematic identification of GCs in external galaxies has immense impacts. In this study, we take advantage of M87’s well-studied GC system to implement supervised machine learning (ML) classification algorithms – specifically random forest and neural networks – to identify GCs from foreground stars and background galaxies, using ground-based photometry from the Canada–France–Hawaii Telescope (CFHT). We compare these two ML classification methods to studies of ‘human-selected’ GCs and find that the best-performing random forest model can reselect 61.2 per cent ± 8.0 per cent of GCs selected from HST data (ACSVCS) and the best-performing neural network model reselects 95.0 per cent ± 3.4 per cent. When compared to human-classified GCs and contaminants selected from CFHT data – independent of our training data – the best-performing random forest model can correctly classify 91.0 per cent ± 1.2 per cent and the best-performing neural network model can correctly classify 57.3 per cent ± 1.1 per cent. ML methods in astronomy have been receiving much interest as Vera C. Rubin Observatory prepares for first light. The observables in this study are selected to be directly comparable to early Rubin Observatory data and the prospects for running ML algorithms on the upcoming data set yields promising results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma

Understanding many processes, e.g., fusion experiments, planetary interiors, and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter and hot dense plasma. This complex state of matter consists of a transient mixture of degenerate and nearly free electrons, molecules, and ions. This regime challenges both experiment and analytical modeling, necessitating predictive ab initio atomistic computation, typically based on quantum mechanical Kohn-Sham density functional theory (KS-DFT). However, cubic computational scaling with temperature and system size prohibits the use of DFT through much of the warm dense matter regime. A recently developed stochastic approach to KS-DFT can be used at high temperatures, with the exact same accuracy as the deterministic approach, but the stochastic error can converge slowly and it remains expensive for intermediate temperatures (< 50 eV). Here we have developed a universal mixed stochastic-deterministic algorithm for DFT at any temperature. This approach leverages the physics of KS-DFT to seamlessly integrate the best aspects of these different approaches. We demonstrate that this method significantly accelerated self-consistent field calculations for temperatures from 3 to 50 eV, while producing stable molecular dynamics and accurate diffusion coefficients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Evaluation of a high-throughput method for processing sponge-stick samples to detect viable, non-spore-forming biothreat agents

After a bioterrorism incident, surface sampling is often used to determine the extent of contamination and exposure, guiding decontamination efforts and decisions for re-occupancy of affected sites. The sponge-stick (SS) is a preferred and commonly used device for sample collection to detect both spore-forming and non-spore-forming biothreat agents from non-porous surfaces. Here, in this study, a recently developed high-throughput method (HTM) for processing SS samples to detect viable Bacillus anthracis spores was adapted for detection of non-spore-forming biothreat agents, Yersinia pestis and Francisella tularensis. The scalable HTM was used to process up to 20 SS samples simultaneously, compared to the current stomacher-based method which processes one SS at a time. Comparisons of the HTM and the stomacher-based method were statistically indistinguishable for most experiments (P > 0.05) with HTM recoveries of 37–60 % for Y. pestis inoculated at 102–103 cells/SS and held 48 h at 4 °C to mimic sample transport/storage. The HTM was integrated with Rapid Viability-Polymerase Chain Reaction (RV-PCR) analysis to detect viable Y. pestis in the presence of particulate contamination (Arizona Test Dust, ATD). This approach detected Y. pestis inoculated at 20 cells/SS and ATD did not impact detection (P > 0.05). F. tularensis showed significantly lower recoveries between no-hold time and 48-h hold time (4 °C, P < 0.05) using the HTM, which further testing showed could be due to toxicity of the neutralizing buffer used for SS pre-wetting. With modifications, this method could enhance throughput capacity while maintaining similar recovery efficiencies to current methods for other non-spore-forming bacterial pathogens.

Biological and medical sciences↗