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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Novel principal component analysis tool based on python for analysis of complex spectra of time-of-flight secondary ion mass spectrometry

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis tool, which can simultaneously provide elemental, isotopic, and molecular information with part per million (ppm) sensitivity. However, each spectrum may be composed of hundreds of ion signals, which makes the spectra data complex. Principal component analysis (PCA) is a multivariate analysis technique that has been widely used to figure out the variances among samples in ToF-SIMS spectra data analysis and is showing great success in the explanation of complex ToF-SIMS spectra. So far, several software tools have been developed for PCA of ToF-SIMS spectra; however, none of them are freely available. Such a situation leads to some difficulties in extending applications of PCA to various research fields. More importantly, it has long been challenging for common researchers to understand PCA plots and extract chemical differences among samples. In this work, we developed a new and flexible software tool (named “advanced spectra pca toolbox”) based on python for PCA of complex ToF-SIMS spectra along with an easy-to-read manual. It can generate data analysis reports automatically to explain chemical differences among samples, allowing less experienced researchers to easily understand tricky PCA results. Moreover, it is expandable and compatible with artificial intelligence/machine learning functions. Pure goethite and different lignin adsorbed goethite samples were used as a model system to demonstrate our new software tool, proving that our software tool can be readily used in complex spectra data processing. Our new software tool is open-source, convenient, flexible, and expandable. We expect this open-source tool will benefit the ToF-SIMS community.

47 OTHER INSTRUMENTATION↗
NASA NTRS2008

Derivation of Boundary Manikins: A Principal Component Analysis

When designing any human-system interface, it is critical to provide realistic anthropometry to properly represent how a person fits within a given space. This study aimed to identify a minimum number of boundary manikins or representative models of subjects anthropometry from a target population, which would realistically represent the population. The boundary manikin anthropometry was derived using, Principal Component Analysis (PCA). PCA is a statistical approach to reduce a multi-dimensional dataset using eigenvectors and eigenvalues. The measurements used in the PCA were identified as those measurements critical for suit and cockpit design. The PCA yielded a total of 26 manikins per gender, as well as their anthropometry from the target population. Reduction techniques were implemented to reduce this number further with a final result of 20 female and 22 male subjects. The anthropometry of the boundary manikins was then be used to create 3D digital models (to be discussed in subsequent papers) intended for use by designers to test components of their space suit design, to verify that the requirements specified in the Human Systems Integration Requirements (HSIR) document are met. The end-goal is to allow for designers to generate suits which accommodate the diverse anthropometry of the user population.

Young, Karen↗
NASA NTRS1987

Effective use of principal component analysis with high resolution remote sensing data to delineate hydrothermal alteration and carbonate rocks

Methods of applying principal component (PC) analysis to high resolution remote sensing imagery were examined. Using Airborne Imaging Spectrometer (AIS) data, PC analysis was found to be useful for removing the effects of albedo and noise and for isolating the significant information on argillic alteration, zeolite, and carbonate minerals. An effective technique for using PC analysis using an input the first 16 AIS bands, 7 intermediate bands, and the last 16 AIS bands from the 32 flat field corrected bands between 2048 and 2337 nm. Most of the significant mineralogical information resided in the second PC. PC color composites and density sliced images provided a good mineralogical separation when applied to a AIS data set. Although computer intensive, the advantage of PC analysis is that it employs algorithms which already exist on most image processing systems.

Feldman, Sandra C.↗
NASA NTRS2017

Thermal Inspection of a Composite Fuselage Section Using a Fixed Eigenvector Principal Component Analysis Method

A composite fuselage aircraft forward section was inspected with flash thermography. The fuselage section is 24 feet long and approximately 8 feet in diameter. The structure is primarily configured with a composite sandwich structure of carbon fiber face sheets with a Nomex(Trademark) honeycomb core. The outer surface area was inspected. The thermal data consisted of 477 data sets totaling in size of over 227 Gigabytes. Principal component analysis (PCA) was used to process the data sets for substructure and defect detection. A fixed eigenvector approach using a global covariance matrix was used and compared to a varying eigenvector approach. The fixed eigenvector approach was demonstrated to be a practical analysis method for the detection and interpretation of various defects such as paint thickness variation, possible water intrusion damage, and delamination damage. In addition, inspection considerations are discussed including coordinate system layout, manipulation of the fuselage section, and the manual scanning technique used for full coverage.

Zalameda, Joseph N.↗
NASA NTRS1985

Martian Fretted Terrain Morphometry Interpreted Using Principal Components Analysis

Martian fretted terrain is an extensive area of complex topography characterized by smooth, flat-floor valleys and mesas separated by abrupt escarpments along the boundary of heavily cratered uplands. The Deuteronilus-Protonilus region of the fretted terrain between latitude 35 degrees N and 50 degrees N and between 305 degrees W and 350 degrees W longitude was selected for quantitative landform study with the use of principal components analysis (PCA). The morphometry of upland mesa remnants and debris aprons was digitized with respect to latitude, longitude, and distance from the cratered terrain boundary (CTB). The PCA demonstrates that there are definable spatial variations in morphology with respect to longitude and latitude which suggest that the degradation along the CTB proceeded toward the southwest. The PCA also showed that there are organized relationships within the fretted landforms irrespective of their location. Finally, PCA indicated that an orientation of the degraded mesas exists which may be controlled by structure.

Kochell, R. C.↗
NASA NTRS1991

The spectral relationships between NEA and the meteorites: An overview using principal components analysis

One of the primary reservoirs for meteorites is probably the planet-crossing Aten, Apollo, and Amor asteroids. Comparing the spectral characteristics of these two populations with each other and with the spectra of the main belt asteroids would provide insight into the dynamical processes that deliver meteorites to Earth. One method for obtaining an overview of general relationships in a large spectral data set is the statistical technique of principal components analysis. This technique quantifies general spectral similarities and reprojects the data in a plot of major axes of variation where distance is a measure of relative similarity. A major caveat should be kept in mind, however, spectra are sensitive to particle size and viewing geometry effects, and near Earth asteroids (NEA's) are probably significantly different from main belt asteroids in both these factors. The analysis was restricted to the spectral range of ECAS filters and included 116 meteorite spectra from the Gaffey (1976) survey and 417 asteroids from the Zellner et. al. (1985) survey of which 13 are planet-crossers. Although thirteen asteroids are not much of a sample on which to base conclusions, a few inferences can be drawn from this exercise. First, the NEA spectral characteristics are, on average, more consistent with the spectra of meteorites than are the main belt asteroids. Second, the S-type NEA's tend to be spectrally more similar to the ordinary chondrite meteorites than the main belt S-types. This suggests that the planet-crossing S-types do not represent the spectral range of the main belt S-type population and that the planet-crossing S-types are on average more like the ordinary chondrites than the main belt S-types. Third, the only direct asteroidal ordinary chondrite analog, the Q-type asteroid, 1862 Apollo, plots well within the field of the ordinary chondrite meteorites and represents the most common meteorite fall type. Finally, it is interesting that the planet-crossing asteroids occupy similar PCA space with the general trend of the meteorites while most of the main belt objects are offset from the meteorites in statistical space.

Britt, D. T.↗
NASA NTRS2001

Principal Components Analysis of Triaxial Vibration Data From Helicopter Transmissions

Research on the nature of the vibration data collected from helicopter transmissions during flight experiments has led to several crucial observations believed to be responsible for the high rates of false alarms and missed detections in aircraft vibration monitoring systems. This work focuses on one such finding, namely, the need to consider additional sources of information about system vibrations. In this light, helicopter transmission vibration data, collected using triaxial accelerometers, were explored in three different directions, analyzed for content, and then combined using Principal Components Analysis (PCA) to analyze changes in directionality. In this paper, the PCA transformation is applied to 176 test conditions/data sets collected from an OH58C helicopter to derive the overall experiment-wide covariance matrix and its principal eigenvectors. The experiment-wide eigenvectors. are then projected onto the individual test conditions to evaluate changes and similarities in their directionality based on the various experimental factors. The paper will present the foundations of the proposed approach, addressing the question of whether experiment-wide eigenvectors accurately model the vibration modes in individual test conditions. The results will further determine the value of using directionality and triaxial accelerometers for vibration monitoring and anomaly detection.

Tumer, Irem Y.↗
DOE OSTI2024

Model orthogonalization and Bayesian forecast mixing via principal component analysis

One can improve predictability in the unknown domain by combining forecasts of imperfect complex computational models using a Bayesian statistical machine learning framework. In many cases, however, the models used in the mixing process are similar. In addition to contaminating the model space, the existence of such similar, or even redundant, models during the multimodeling process can result in misinterpretation of results and deterioration of predictive performance. In this paper we describe a method based on the principal component analysis that eliminates model redundancy. We show that by adding model orthogonalization to the proposed Bayesian model combination framework, one can arrive at better prediction accuracy and reach excellent uncertainty quantification performance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Using principal component analysis to distinguish different dynamic phases in superconducting vortex matter

Vortices in type-II superconductors driven over random disorder are known to exhibit a remarkable variety of distinct nonequilibrium dynamical phases that arise owing to the competition between vortex-vortex interactions, the quenched disorder, and the drive. These include pinned states, elastic flows, plastic or disordered flows, and dynamically reordered moving crystal or moving smectic states. The plastic flow phases can be particularly difficult to characterize since the flows are strongly disordered. Here, we perform principal component analysis (PCA) on the positions and velocities of vortex matter moving over random disorder for different disorder strengths and drives. We find that PCA can distinguish the known dynamic phases as well as or better than previous measures based on transport signatures or topological defect densities. In addition, PCA recognizes distinct plastic flow regimes, a slowly changing channel flow and a moving amorphous fluid flow, that do not produce distinct signatures in the standard measurements. In conclusion, our results suggest that this position and velocity-based PCA approach could be used to characterize dynamic phases in a broader class of systems that exhibit depinning and nonequilibrium phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2014

Revisiting AVHRR Tropospheric Aerosol Trends Using Principal Component Analysis

The advanced very high resolution radiometer (AVHRR) satellite instruments provide a nearly 25 year continuous record of global aerosol properties over the ocean. It offers valuable insights into the long-term change in global aerosol loading. However, the AVHRR data record is heavily influenced by two volcanic eruptions, El Chichon on March 1982 and Mount Pinatubo on June 1991. The gradual decay of volcanic aerosols may last years after the eruption, which potentially masks the estimation of aerosol trends in the lower troposphere, especially those of anthropogenic origin. In this study, we show that a principal component analysis approach effectively captures the bulk of the spatial and temporal variability of volcanic aerosols into a single mode. The spatial pattern and time series of this mode provide a good match to the global distribution and decay of volcanic aerosols. We further reconstruct the data set by removing the volcanic aerosol component and reestimate the global and regional aerosol trends. Globally, the reconstructed data set reveals an increase of aerosol optical depth from 1985 to 1990 and decreasing trend from 1994 to 2006. Regionally, in the 1980s, positive trends are observed over the North Atlantic and North Arabian Sea, while negative tendencies are present off the West African coast and North Pacific. During the 1994 to 2006 period, the Gulf of Mexico, North Atlantic close to Europe, and North Africa exhibit negative trends, while the coastal regions of East and South Asia, the Sahel region, and South America show positive trends.

volcanoes↗
NASA NTRS2021

Model-Independent Time-Delay Interferometry Based on Principal Component Analysis

With a laser interferometric gravitational-wave detector in separate free flying spacecraft, the only way to achieve detection is to mitigate the dominant noise arising from the frequency fluctuations of the lasers via postprocessing. The noise can be effectively filtered out on the ground through a specific technique called time-delay interferometry (TDI), which relies on the measurements of time-delays between spacecraft and careful modeling of how laser noise enters the interferometric data. Recently, this technique has been recast into a matrix-based formalism by several authors, offering a different perspective on TDI, particularly by relating it to principal component analysis (PCA). In this work, we demonstrate that we can cancel laser frequency noise by directly applying PCA to a set of shifted data samples, without any prior knowledge of the relationship between single-link measurements and noise, nor time-delays. We show that this fully data-driven algorithm achieves a gravitational-wave sensitivity similar to classic TDI.

Quentin Baghi↗
NASA NTRS2019

Applicability of Spectral Decomposition by Varimax-Rotated, Principal Component Analysis to the Surface Biology and Geology (SBG) VNIR Mission Concept

Cyanobacterial and Harmful Algal Blooms (CyanoHABs) are a growing concern in coastal and inland waters. But, spectral interference from multiple constituents in optically complex waters can hamper application of remote sensing using traditional image processing methods. The Kent State University (KSU) spectral decomposition method can be applied to multispectral and hyperspectral remote sensing images (e.g. HICO and the NASA Glenn HSI2) to partition and identify signals related to cyanobacteria, algae, pigment degradation products and suspended sediment in each pixel. Fundamental to the use of remote sensing data is the ability to extract independent signals from correlated hyperspectral VNIR data cubes. The Kent State University varimax-rotated, principal component analysis method (VPCA) is important to integrate into the SBG VNIR mission concept because it provides greater specificity, a software-based SNR boost relative to hardware performance, and can assist with Cal/Val, Modeling and Applications. We present examples of the hyperspectral application of the KSU VPCA method with relevance to SBG. The information extracted by VPCA can be validated spectrally or spatially with laboratory and/or in situ sensors, which capture spatial or time series of information at discrete points within remote sensing images. Comparisons show hyperspectral sensors extract more components than multispectral ones, but more independent information can be extracted from multispectral sensors by VPCA than traditional band ratio approaches. The spectral decomposition method is capable of enhancing the signal to noise ratio (SNR) of the NASA Glenn, second-generation hyperspectral imager by a factor of 7x to 20x, with a spectral reproducibility of ±3%. The spectral decomposition method, when compared against existing remote sensing monitoring methods exhibits both greater specificity and a lower detection limit. The method has been validated with multispectral images in Lake Erie to quantify the Microcystis CyanoHAB and from the Indian River Lagoon, Florida to quantify the Brown Tide resulting from A. lagunesnsis. Field operations in the Western Basin of Lake Erie were conducted using a bbe Fluoroprobe to collect vertical profiles and horizontal tows along a transect from the Toledo to the Detroit Lighthouse during coincident satellite overpasses. Extraction of pixel values from the MODIS Aqua sensor yields agreement between in situ field and lab-based measures of cyanobacterial, cryptophyte, diatoms and green algae, suspended sediment and pigment degradation products with R2>0.8.

hyperspectral↗
NASA NTRS2012

Application of Principal Component Analysis to NIR Spectra of Phyllosilicates: A Technique for Identifying Phyllosilicates on Mars

Orbital near-infrared (NIR) reflectance spectra of the martian surface from the OMEGA and CRISM instruments have identified a variety of phyllosilicates in Noachian terrains. The types of phyllosilicates present on Mars have important implications for the aqueous environments in which they formed, and, thus, for recognizing locales that may have been habitable. Current identifications of phyllosilicates from martian NIR data are based on the positions of spectral absorptions relative to laboratory data of well-characterized samples and from spectral ratios; however, some phyllosilicates can be difficult to distinguish from one another with these methods (i.e. illite vs. muscovite). Here we employ a multivariate statistical technique, principal component analysis (PCA), to differentiate between spectrally similar phyllosilicate minerals. PCA is commonly used in a variety of industries (pharmaceutical, agricultural, viticultural) to discriminate between samples. Previous work using PCA to analyze raw NIR reflectance data from mineral mixtures has shown that this is a viable technique for identifying mineral types, abundances, and particle sizes. Here, we evaluate PCA of second-derivative NIR reflectance data as a method for classifying phyllosilicates and test whether this method can be used to identify phyllosilicates on Mars.

Rampe, E. B.↗
DOE OSTI2022

Applying Two-Dimensional Correlation Spectroscopy and Principal Component Analysis to Understand How Temperature Affects the Neptunium(V) Absorption Spectrum

The visible-near infrared (Vis-NIR) electronic absorption spectrum of neptunium(V) (NpO 2 + ) comprises numerous f-f electronic transitions with mostly undocumented temperature dependencies. The effect of temperature on the absorption spectrum of the pentavalent neptunyl dioxocation (NpO 2 + ) is an important factor to consider with spectrophotometric applications but has often been overlooked. Optical Vis-NIR absorption spectra (400–1700 nm) of Np(V) (0.017–0.89 M) in 1 M nitric acid were evaluated with varying temperatures (T = 10–80 °C). The intensity, position, and overall shape of the bands were sensitive to interactions with the solvent and coordination environment. Numerous temperature-induced isosbestic points were identified resulting from dynamic, overlapping peak shifts. Spectral variations were characterized using principal component analysis (PCA) and 2D correlation spectroscopy (COS). 2D-COS revealed that the absorption band near 1095 nm likely consists of two bands centered near 1087 and 1096 nm, which cannot be explained by current computational methods. 2D-COS analysis also provided an unambiguous assignment of unresolved peaks in the visible region for comparison with computational predictions. PCA was used to identify nonlinearity in the spectral response at elevated Np(V) concentrations ≥ 0.5 M. This unique experimental data and interpretation will foster a deeper understanding of the absorption spectra for complex actinyl ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

The Application of Principal Component Analysis Using Fixed Eigenvectors to the Infrared Thermographic Inspection of the Space Shuttle Thermal Protection System

The Nondestructive Evaluation Sciences Branch at NASA s Langley Research Center has been actively involved in the development of thermographic inspection techniques for more than 15 years. Since the Space Shuttle Columbia accident, NASA has focused on the improvement of advanced NDE techniques for the Reinforced Carbon-Carbon (RCC) panels that comprise the orbiter s wing leading edge. Various nondestructive inspection techniques have been used in the examination of the RCC, but thermography has emerged as an effective inspection alternative to more traditional methods. Thermography is a non-contact inspection method as compared to ultrasonic techniques which typically require the use of a coupling medium between the transducer and material. Like radiographic techniques, thermography can be used to inspect large areas, but has the advantage of minimal safety concerns and the ability for single-sided measurements. Principal Component Analysis (PCA) has been shown effective for reducing thermographic NDE data. A typical implementation of PCA is when the eigenvectors are generated from the data set being analyzed. Although it is a powerful tool for enhancing the visibility of defects in thermal data, PCA can be computationally intense and time consuming when applied to the large data sets typical in thermography. Additionally, PCA can experience problems when very large defects are present (defects that dominate the field-of-view), since the calculation of the eigenvectors is now governed by the presence of the defect, not the good material. To increase the processing speed and to minimize the negative effects of large defects, an alternative method of PCA is being pursued when a fixed set of eigenvectors is used to process the thermal data from the RCC materials. These eigen vectors can be generated either from an analytic model of the thermal response of the material under examination, or from a large cross section of experimental data. This paper will provide 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 embodiments of PCA on thermographic data from various RCC specimens. Details of a system that has been developed to allow insitu inspection of a majority of shuttle RCC components will be presented along with the acceptance test results for this system. Additionally, the results of applying this technology to the Space Shuttle Discovery after its return from flight will be presented.

Cramer, K. Elliott↗
NASA NTRSDate not supplied

ASCoT 3: Nonlinear Principal Components Analysis and Uncertainty Quantification in Early Concept Spacecraft Flight Software Cost Estimation

For mission planners and evaluators alike, value in cost models comes from a mean or median prediction, an understanding of the uncertainty on that prediction, and an understanding of model performance. Here we apply advanced statistical and machine learning methods to spacecraft flight software cost, effort, and SLOC estimation, and present the results in the latest version of the Analogy Software Cost Tool (ASCoT). We present in- and out-of-sample performance metrics for our models, each of which incorporate some amount of epistemic uncertainty. ASCoT, hosted on the One NASA Cost Engineering (ONCE) database via the Online NASA Space Estimation Tool (ONSET), was first showcased in 2016 as a number of analogy-based models and methods (kNN and Clustering) to support early project formulation. This ASCoT update improves upon the previous analogic methods by incorporating uncertainty in the data transformations. In particular, we use a Nonlinear Principal Components Analysis (NLPCA) to deal with ordinal data.

Robotic Spacecraft↗
NASA NTRS2023

Use of Machine Learning and Principal Component Analysis to Retrieve Nitrogen Dioxide (NO 2 ) With Hyperspectral Imagers and Reduce Noise in Spectral Fitting

Nitrogen dioxide (NO 2 ) is an important trace-gas pollutant and climate agent whose presence also leads to spectral interference in ocean color retrievals. NO 2 column densities have been retrieved with satellite UV–Vis spectrometers such as the Ozone Monitoring Instrument (OMI) and the Tropospheric Monitoring Instrument (TROPOMI) that typically have spectral resolutions of the order of 0.5 nm or better and spatial footprints as small as 3.6 km × 5.6 km. These NO 2 observations are used to estimate emissions, monitor pollution trends, and study effects on human health. Here, we investigate whether it is possible to retrieve NO 2 amounts with lower-spectral-resolution hyperspectral imagers such as the Ocean Color Instrument (OCI) that will fly on the Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) satellite set for launch in early 2024. OCI will have a spectral resolution of 5 nm and a spatial resolution of ∼ 1 km with global coverage in 1–2 d. At this spectral resolution, small-scale spectral structure from NO 2 absorption is still present. We use real spectra from the OMI to simulate OCI spectra that are in turn used to estimate NO 2 slant column densities (SCDs) with an artificial neural network (NN) trained on target OMI retrievals. While we obtain good results with no noise added to the OCI simulated spectra, we find that the expected instrumental noise substantially degrades the OCI NO 2 retrievals. Nevertheless, the NO 2 information from OCI may be of value for ocean color retrievals. OCI retrievals can also be temporally averaged over timescales of the order of months to reduce noise and provide higher-spatial-resolution maps that may be useful for downscaling lower-spatial-resolution data provided by instruments such as OMI and TROPOMI; this downscaling could potentially enable higher-resolution emissions estimates and be useful for other applications. In addition, we show that NNs that use coefficients of leading modes of a principal component analysis of radiance spectra as inputs appear to enable noise reduction in NO 2 retrievals. Once trained, NNs can also substantially speed up NO 2 spectral fitting algorithms as applied to OMI, TROPOMI, and similar instruments that are flying or will soon fly in geostationary orbit.

NO2↗
NASA NTRS2012

A Technique Using Principal Component Analysis to Compare Seasonal Cycles of Earth Radiation from CERES and Model Computations

A method for quantitatively comparing the seasonal cycles of two global data sets is presented. The seasonal cycles of absorbed solar radiation (ASR) and outgoing longwave radiation (OLR) have been computed from an eight-year data set from the Clouds and Earth's Radiant Energy System (CERES) scanning radiometers and from a model data set produced by the NASA Goddard Space Flight Center Global Modeling and Assimilation Office. To compare the seasonal cycles from these two data sets, principal component (PC) analysis is used, where the PCs express the time variations and the corresponding empirical orthogonal functions (EOFs) describe the geographic variations. Ocean has a long thermal response time compared to land, so land and ocean are separated for the analysis. The root-mean square values for the seasonal cycles of ASR and OLR are extremely close for the two data sets. The first three PCs are quite close, showing that the time responses and magnitudes over the globe are very similar. The agreement between the two sets of PCs is quantified by computing the matrix of inner products of the two sets. For ASR over land, the first PCs of CERES and the model agree to better than 99.9%. The EOF maps are similar for most of the globe, but differ in a few places, and the agreement of the EOF maps is likewise quantified. Maps of differences between the annual cycles show regions of agreement and disagreement.

Smith, G. Louis↗