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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Machine Learning-Based Investigation of the Associations between Residential Power Consumption and Weather Conditions

Machine learning feature selection analyses were conducted to understand the impact of various weather attributes on power electricity demand and its components in the northwest United States. Load profiles data were obtained from the Northwest Energy Efficiency Alliance (NEEA) and processed to yield hourly load profiles with the same temporal resolution as the weather conditions data obtained from the National Oceanic and Atmospheric Administration (NOAA) for representative weather stations. The data were divided into five seasons; for each season, for each load component, the influences of weather factors were evaluated and quantified using cross-correlation, principal component analysis, and mutual information evaluation; then predictive models were developed based on the ranked/screened factors using the regression tree (RT) approach. After multi-fold cross-validation, the optimal complexity/depth of the regress tree models is found to vary for different load components, and the prediction accuracy using RT and weather data can be higher than 80% for heating and refrigeration, or lower than 30% for vent and cooking. The study provides guidance on improvement of load profile generation, or even serves as a standalone predictive tool for approximating load profiles in balance authorities or climate zones where load profile data is absent.

load composite, load profiling, NEEA, mutual infor↗
DOE OSTI2014

A limited-angle intrafraction verification (LIVE) system for radiation therapy

Purpose: Currently, no 3D or 4D volumetric x-ray imaging techniques are available for intrafraction verification of target position during actual treatment delivery or in-between treatment beams, which is critical for stereotactic radiosurgery (SRS) and stereotactic body radiation therapy (SBRT) treatments. This study aims to develop a limited-angle intrafraction verification (LIVE) system to use prior information, deformation models, and limited angle kV-MV projections to verify target position intrafractionally. Methods: The LIVE system acquires limited-angle kV projections simultaneously during arc treatment delivery or in-between static 3D/IMRT treatment beams as the gantry moves from one beam to the next. Orthogonal limited-angle MV projections are acquired from the beam's eye view (BEV) exit fluence of arc treatment beam or in-between static beams to provide additional anatomical information. MV projections are converted to kV projections using a linear conversion function. Patient prior planning CT at one phase is used as the prior information, and the on-board patient volume is considered as a deformation of the prior images. The deformation field is solved using the data fidelity constraint, a breathing motion model extracted from the planning 4D-CT based on principal component analysis (PCA) and a free-form deformation (FD) model. LIVE was evaluated using a 4D digital extended cardiac torso phantom (XCAT) and a CIRS 008A dynamic thoracic phantom. In the XCAT study, patient breathing pattern and tumor size changes were simulated from CT to treatment position. In the CIRS phantom study, the artificial target in the lung region experienced both size change and position shift from CT to treatment position. Varian Truebeam research mode was used to acquire kV and MV projections simultaneously during the delivery of a dynamic conformal arc plan. The reconstruction accuracy was evaluated by calculating the 3D volume percentage difference (VPD) and the center of mass (COM) difference of the tumor in the true on-board images and reconstructed images. Results: In both simulation and phantom studies, LIVE achieved substantially better reconstruction accuracy than reconstruction using PCA or FD deformation model alone. In the XCAT study, the average VPD and COM differences among different patient scenarios for LIVE system using orthogonal 30° scan angles were 4.3% and 0.3 mm when using kV+BEV MV. Reducing scan angle to 15° increased the average VPD and COM differences to 15.1% and 1.7 mm. In the CIRS phantom study, the VPD and COM differences for the LIVE system using orthogonal 30° scan angles were 6.4% and 1.4 mm. Reducing scan angle to 15° increased the VPD and COM differences to 51.9% and 3.8 mm. Conclusions: The LIVE system has the potential to substantially improve intrafraction target localization accuracy by providing volumetric verification of tumor position simultaneously during arc treatment delivery or in-between static treatment beams. With this improvement, LIVE opens up a new avenue for margin reduction and dose escalation in both fractionated treatments and SRS and SBRT treatments.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

Structuring Nutrient Yields throughout Mississippi/Atchafalaya River Basin Using Machine Learning Approaches

To minimize the eutrophication pressure along the Gulf of Mexico or reduce the size of the hypoxic zone in the Gulf of Mexico, it is important to understand the underlying temporal and spatial variations and correlations in excess nutrient loads, which are strongly associated with the formation of hypoxia. This study’s objective was to reveal and visualize structures in high-dimensional datasets of nutrient yield distributions throughout the Mississippi/Atchafalaya River Basin (MARB). For this purpose, the annual mean nutrient concentrations were collected from thirty-three US Geological Survey (USGS) water stations scattered in the upper and lower MARB from 1996 to 2020. Eight surface water quality indicators were selected to make comparisons among water stations along the MARB over the past two decades. Principal component analysis (PCA) was used to comprehensively evaluate the nutrient yields across thirty-three USGS monitoring stations and identify the major contributing nutrient loads. The results showed that all samples could be analyzed using two main components, which accounted for 81.6% of the total variance. The PCA results showed that yields of orthophosphate (OP), silica (SI), nitrate–nitrites (NO 3 -NO 2 ), and total suspended sediment (TSS) are major contributors to nutrient yields. It also showed that land-planted crops, density of population, domestic and industrial discharges, and precipitation are fundamental causes of excess nutrient loads in MARB. These factors are of great significance for the excess nutrient load management and pollution control of the Mississippi River. It was found that the average nutrient yields were stable within the sub-MARB area, but the large nitrogen yields in the upper MARB and the large phosphorus yields in the lower MARB were of great concern. t-distributed stochastic neighbor embedding (t-SNE) revealed interesting nonlinear and local structures in nutrient yield distributions. Clustering analysis (CA) showed the detailed development of similarities in the nutrient yield distribution. Moreover, PCA, t-SNE, and CA showed consistent clustering results. This study demonstrated that the integration of dimension reduction techniques, PCA, and t-SNE with CA techniques in machine learning are effective tools for the visualization of the structures of the correlations in high-dimensional datasets of nutrient yields and provide a comprehensive understanding of the correlations in the distributions of nutrient loads across the MARB.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Fixed Eigenvector Analysis of Thermographic NDE Data

Principal Component Analysis (PCA) has been shown effective for reducing thermographic NDE data. This paper will discuss an alternative method of analysis that has been developed where a predetermined set of eigenvectors is used to process the thermal data from both reinforced carbon-carbon (RCC) and graphiteepoxy honeycomb materials. These eigenvectors can be generated either from an analytic model of the thermal response of the material system under examination, or from a large set of experimental data. This paper provides the details of the analytic model, an overview of the PCA process, as well as a quantitative signal-to-noise comparison of the results of performing both conventional PCA and fixed eigenvector analysis on thermographic data from two specimens, one Reinforced Carbon-Carbon with flat bottom holes and the second a sandwich construction with graphite-epoxy face sheets and aluminum honeycomb core.

Cramer, K. Elliott↗
NASA NTRS2013

Application of Spectral Analysis Techniques in the Intercomparison of Aerosol Data: 1. an EOF Approach to the Spatial-Temporal Variability of Aerosol Optical Depth Using Multiple Remote Sensing Data Sets

Many remote sensing techniques and passive sensors have been developed to measure global aerosol properties. While instantaneous comparisons between pixel-level data often reveal quantitative differences, here we use Empirical Orthogonal Function (EOF) analysis, also known as Principal Component Analysis, to demonstrate that satellite-derived aerosol optical depth (AOD) data sets exhibit essentially the same spatial and temporal variability and are thus suitable for large-scale studies. Analysis results show that the first four EOF modes of AOD account for the bulk of the variance and agree well across the four data sets used in this study (i.e., Aqua MODIS, Terra MODIS, MISR, and SeaWiFS). Only SeaWiFS data over land have slightly different EOF patterns. Globally, the first two EOF modes show annual cycles and are mainly related to Sahara dust in the northern hemisphere and biomass burning in the southern hemisphere, respectively. After removing the mean seasonal cycle from the data, major aerosol sources, including biomass burning in South America and dust in West Africa, are revealed in the dominant modes due to the different interannual variability of aerosol emissions. The enhancement of biomass burning associated with El Niño over Indonesia and central South America is also captured with the EOF technique.

variability↗
DOE OSTI2016

Quantifying and Reducing Uncertainty in Correlated Multi-Area Short-Term Load Forecasting

In this study, we represent and reduce the uncertainties in short-term electric load forecasting by integrating time series analysis tools including ARIMA modeling, sequential Gaussian simulation, and principal component analysis. The approaches are mainly focusing on maintaining the inter-dependency between multiple geographically related areas. These approaches are applied onto cross-correlated load time series as well as their forecast errors. Multiple short-term prediction realizations are then generated from the reduced uncertainty ranges, which are useful for power system risk analyses.

load forecast↗
DOE OSTI2019

Anomaly detection in scientific data using joint statistical moments

We propose an anomaly detection method for multi-variate scientific data based on analysis of high-order joint moments. Using kurtosis as a reliable measure of outliers, we suggest that principal kurtosis vectors, by analogy to principal component analysis (PCA) vectors, signify the principal directions along which outliers appear. The inception of an anomaly, then, manifests as a change in the principal values and vectors of kurtosis. Obtaining the principal kurtosis vectors requires decomposing a fourth order joint cumulant tensor for which we use a simple, computationally less expensive approach that involves performing a singular value decomposition (SVD) over the matricized tensor. We demonstrate the efficacy of this approach on synthetic data, and develop an algorithm to identify the occurrence of a spatial and/or temporal anomalous event in scientific phenomena. The algorithm decomposes the data into several spatial sub-domains and time steps to identify regions with such events. Feature moment metrics, based on the alignments of the principal kurtosis vectors, are computed at each sub-domain and time step for all features to quantify their relative importance towards the overall kurtosis in the data. Accordingly, spatial and temporal anomaly metrics for each sub-domain are proposed using the Hellinger distance of the feature moment metric distribution from a suitable nominal distribution. Finally, we apply the algorithm to two turbulent auto-ignition combustion cases and demonstrate that the anomaly metrics reliably capture the occurrence of auto-ignition in relevant spatial sub-domains at the right time steps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Hyperspectral imaging of minerals in the longwave infrared: the use of laboratory directional-hemispherical reference measurements for field exploration data

Hyperspectral Imaging (HSI) continues to grow as a method for remote detection of vegetation, materials, minerals, and pure chemicals. We have used a longwave infrared (7.7 - 11.8 µm) imaging spectrometer in a static outdoor experiment to collect HSI data from 24 minerals and background materials to determine the efficacy with which HSI can remotely detect and distinguish both pure minerals and mineral mixtures at three solar angles (25°, 35°, and 45° relative to ground) as well as varying backgrounds and other sample effects. Measurements were obtained separately for the minerals and materials mounted directly both on a bare plywood board and a plywood board coated with aluminum foil: 19 powders (3 mixtures and 16 pure mineral powders) held in polyethylene bottle lids as well as 5 samples in rock form were taped directly to the boards. The primary goal of the experiment was to demonstrate that a longwave infrared (LWIR) library of solids and minerals collected as directional-hemispherical reflectance spectra in the laboratory can be used directly for HSI field identification. Prior to the experiment, all 24 mineral/inorganic samples were measured in the laboratory using a Fourier transform infrared spectrometer (FTIR) equipped with a gold-coated IR integrating sphere; the spectra were assimilated as part of a larger reference library of 21 pure minerals, 3 mixtures, and the polyethylene lid. Principal components analysis (PCA) with mean-centering was used in an exploratory analysis of the HSI images and showed that for the aluminum coated board, the first principal component captured the difference between signal that resembled a blackbody and the highly reflective aluminum background. In contrast, principal components PC 2, 3, and 4 were able to discriminate the materials including phosphates, sulfates, silicates, carbonates, and the mixtures. Results from generalized least squares target detection clearly showed that laboratory reference spectra of minerals could be utilized as targets with high fidelity for field detection, both for pure and mixed samples.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

State space parameterization of explosive eigenvalues during autoignition

Explosive modes such as ignition and extinction are characterized by an eigenvalue of the chemical Jacobian matrix with positive real part, representing the transient instability of chain-branching chemistry and thermal feedback. Formation and eigen-decomposition of the Jacobian matrix are expensive operations whose cost increases cubically with chemical mechanism size. As an alternative to directly computing the eigenvalues of the Jacobian, we explore principal component analysis (PCA) along with nonlinear regression as a methodology to parameterize the eigenvalues by state variables (or linear combinations thereof). We evaluate this modeling strategy using homogeneous autoignition data on two different applications: pseudotransient continuation (Ψtc)-based ODE solvers and chemical explosive mode analysis (CEMA). Results indicate that the PCA-based parameterization of the eigenvalues appears feasible for Ψtc solvers in autoignition calculations over a range of temperatures and pressures. Our results also show that eigenvalue models are capable of tracking sharp discontinuities (such as ignition or extinction) in the eigenvalue for computational flame diagnostics such as CEMA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

System and method for automated extraction of high resolution structural dynamics from video

A method for extracting vibrational modes of a structure includes: receiving a plurality of video frames, each of the video frames including a plurality of pixels; decomposing each of the video frames on a plurality of spatial scales in accordance with complex steerable pyramid filters to obtain a filter response for each of the spatial scales; computing a plurality of local phases of the pixels of each frame; removing a temporal mean from each frame to obtain a plurality of factored vibration motion functions; performing principal component analysis on the factored vibration motion functions to obtain principal components; blind source separating the principal components to compute a plurality of modal coordinates; computing frequency and damping ratios in accordance with the modal coordinates; and outputting the computed frequency and damping ratios.

42 ENGINEERING↗
DOE OSTI2016

Chemical imaging of molecular changes in a hydrated single cell by dynamic secondary ion mass spectrometry and super-resolution microscopy

Chemical imaging of single cells is important in capturing biological dynamics. Single cell correlative imaging is realized between structured illumination microscopy (SIM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) using System for Analysis at the Liquid Vacuum Interface (SALVI), a multimodal microreactor. SIM characterized cells and guided subsequent ToF-SIMS analysis. Dynamic ToF-SIMS provided time- and space-resolved cell molecular mapping. Lipid fragments were identified in the hydrated cell membrane. Principal component analysis was used to elucidate chemical component differences among mouse lung cells that uptake zinc oxide nanoparticles. Our results provided submicron chemical spatial mapping for investigations of cell dynamics at the molecular level.

correlative chemical imaging • microfluidic • surf↗
NASA NTRS2001

Multivariate Analysis of Solar Spectral Irradiance Measurements

Principal component analysis is used to characterize approximately 7000 downwelling solar irradiance spectra retrieved at the Southern Great Plains site during an Atmospheric Radiation Measurement (ARM) shortwave intensive operating period. This analysis technique has proven to be very effective in reducing a large set of variables into a much smaller set of independent variables while retaining the information content. It is used to determine the minimum number of parameters necessary to characterize atmospheric spectral irradiance or the dimensionality of atmospheric variability. It was found that well over 99% of the spectral information was contained in the first six mutually orthogonal linear combinations of the observed variables (flux at various wavelengths). Rotation of the principal components was effective in separating various components by their independent physical influences. The majority of the variability in the downwelling solar irradiance (380-1000 nm) was explained by the following fundamental atmospheric parameters (in order of their importance): cloud scattering, water vapor absorption, molecular scattering, and ozone absorption. In contrast to what has been proposed as a resolution to a clear-sky absorption anomaly, no unexpected gaseous absorption signature was found in any of the significant components.

Pilewskie, P.↗
DOE OSTI2022

Functional Data Analysis for Extracting the Intrinsic Dimensionality of Spectra: Application to Chemical Homogeneity in the Open Cluster M67

High-resolution spectroscopic surveys of the Milky Way have entered the Big Data regime and have opened avenues for solving outstanding questions in Galactic archeology. However, exploiting their full potential is limited by complex systematics, whose characterization has not received much attention in modern spectroscopic analyses. In this work, we present a novel method to disentangle the component of spectral data space intrinsic to the stars from that due to systematics. Using functional principal component analysis on a sample of 18,933 giant spectra from APOGEE, we find that the intrinsic structure above the level of observational uncertainties requires ≈10 functional principal components (FPCs). Our FPCs can reduce the dimensionality of spectra, remove systematics, and impute masked wavelengths, thereby enabling accurate studies of stellar populations. To demonstrate the applicability of our FPCs, we use them to infer stellar parameters and abundances of 28 giants in the open cluster M67. We employ Sequential Neural Likelihood, a simulation-based Bayesian inference method that learns likelihood functions using neural density estimators, to incorporate non-Gaussian effects in spectral likelihoods. By hierarchically combining the inferred abundances, we limit the spread of the following elements in M67: Fe ≲ 0.02 dex; C ≲ 0.03 dex; O, Mg, Si, Ni ≲ 0.04 dex; Ca ≲ 0.05 dex; N, Al ≲ 0.07 dex (at 68% confidence). Our constraints suggest a lack of self-pollution by core-collapse supernovae in M67, which has promising implications for the future of chemical tagging to understand the star formation history and dynamical evolution of the Milky Way.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

DESI Emission-line Galaxies: Unveiling the Diversity of [O II ] Profiles and Its Links to Star Formation and Morphology

We study the [O II ] profiles of emission-line galaxies (ELGs) from the Early Data Release of the Dark Energy Spectroscopic Instrument (DESI). To this end, we decompose and classify the shape of [O II ] profiles with the first two eigenspectra derived from principal component analysis. Our results show that DESI ELGs have diverse line profiles, which can be categorized into three main types: (1) narrow lines with a median width of ∼50 km s −1 , (2) broad lines with a median width of ∼80 km s −1 , and (3) two redshift systems with a median velocity separation of ∼150 km s −1 , i.e., double-peak galaxies. To investigate the connections between the line profiles and galaxy properties, we utilize the information from the COSMOS data set and compare the properties of ELGs, including star formation rate (SFR) and galaxy morphology, with the average properties of reference star-forming galaxies with similar stellar mass, sizes, and redshifts. Our findings show that, on average, DESI ELGs have a higher SFR and more asymmetrical/disturbed morphology than the reference galaxies. Moreover, we uncover a relationship between the line profiles, the excess SFR, and the excess asymmetry parameter, showing that DESI ELGs with broader [O II ] line profiles have more disturbed morphology and higher SFR than the reference star-forming galaxies. Finally, we discuss possible physical mechanisms giving rise to the observed relationship and the implications of our findings on the galaxy clustering measurements, including the halo occupation distribution modeling of DESI ELGs and the observed excess velocity dispersion of the satellite ELGs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Covariate Dependent Sparse Functional Data Analysis

This study proposes a method to incorporate covariate information into sparse functional data analysis. The method aims at cases where each subject has a limited number of longitudinal measurements and is associated with static covariates. This research is motivated by several use cases in practice. One representative example is void swelling, a nuclear-specific material degradation mechanism. Void swelling is affected by many covariates, including alloy composition and irradiation type. How to accurately model the complicated joint effects of such covariates on the swelling process is the key to mitigating the effect of swelling and ensuring safe operation. Unlike most of the existing methods, the proposed method can handle high-dimensional covariates with the informative covariate identification procedure and sparse and irregularly spaced measurements, that is, does not require complete or dense observations. The main innovation of the proposed method is that we model the variation coming from covariates and the variation left conditioned on covariates, such that the functional principal component analysis and Gaussian process can be conducted in a unified manner. Further, we also propose a systematic approach to identify important covariates in the hypothesis testing context. The methodology is demonstrated on applications in nuclear engineering and healthcare and simulation studies.

42 ENGINEERING↗
DOE OSTI2019

Heavy Metal Atmospheric Deposition Study in Moscow Region, Russia

The air quality in north-eastern part of Moscow region was evaluated by trace metals atmospheric deposition using moss Pleurozium schreberi as bioindicator. Thirty six elements were determined in analyzed samples by Neutron activation analysis and Atomic absorption spectrometry. Principal component analysis was used to identify and characterize different pollution sources. Maps showing the geographical distribution of the factor scores were built using ArcGis software. Median values of the elements studied were compared with data obtained for other regions in Russia. The present survey showed that industrial activity, thermal power plants and transport still have the largest anthropogenic impact on air pollution in studied region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

MALDI Orbitrap Mass Spectrometry Profiling of Dysregulated Sulfoglycosphingolipids in Renal Cell Carcinoma Tissues

Matrix-assisted laser desorption/ionization coupled with Orbitrap mass spectrometry (MALDI-Orbitrap-MS) is used for the clinical study of patients with renal cell carcinoma (RCC), as the most common type of kidney cancer. Significant changes in sulfoglycosphingolipid abundances between tumor and autologous normal kidney tissues are observed. First, sulfoglycosphingolipid species in studied RCC samples are identified using high mass accuracy full scan and tandem mass spectra. Subsequently, optimization, method validation, and statistical evaluation of MALDI-MS data for 158 tissues of 80 patients are discussed. More than 120 sulfoglycosphingolipids containing one to five hexosyl units are identified in human RCC samples based on the systematic study of their fragmentation behavior. Many of them are recorded here for the first time. Multivariate data analysis (MDA) methods, i.e., unsupervised principal component analysis (PCA) and supervised orthogonal partial least square discriminant analysis (OPLS-DA), are used for the visualization of differences between normal and tumor samples to reveal the most up- and downregulated lipids in tumor tissues. Obtained results are closely correlated with MALDI mass spectrometry imaging (MSI) and histologic staining. Important steps of the present MALDI-Orbitrap-MS approach are also discussed, such as the selection of best matrix, correct normalization, validation for semiquantitative study, and problems with possible isobaric interferences on closed masses in full scan mass spectra. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗