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At least 127 records · Page 7

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NASA NTRS1992

Adaptive filtering and prediction of the Southern Oscillation index

Singular spectrum analysis (SSA), a variant of principal component analysis, is applied to a time series of the Southern Oscillation index (SOI). The analysis filters out variability unrelated to the Southern Oscillation and separates the high-frequency, 2- to 3-year variability, including the quasi-biennial oscillation, from the lower-frequency 4- to 6-year El Nino cycle. The maximum entropy method (MEM) is applied to forecasting the prefiltered SOI. Prediction based on MEM-associated autoregresive models has useful skill for 30-36 months. A 1993-1994 La Nina event is predicted based on data through February 1992.

Keppenne, Christian L.↗

DOE OSTI2023

Characterizing different motility-induced regimes in active matter with machine learning and noise

Here we examine motility-induced phase separation (MIPS) in two-dimensional run-and-tumble disk systems using both machine learning and noise fluctuation analysis. Our measures suggest that within the MIPS state there are several distinct regimes as a function of density and run time, so that systems with MIPS transitions exhibit an active fluid, an active crystal, and a critical regime. The different regimes can be detected by combining an order parameter extracted from principal component analysis with a cluster stability measurement. The principal component-derived order parameter is maximized in the critical regime, remains low in the active fluid, and has an intermediate value in the active crystal regime. We demonstrate that machine learning can better capture dynamical properties of the MIPS regimes compared to more standard structural measures such as the maximum cluster size. The different regimes can also be characterized via changes in the noise power of the fluctuations in the average speed. In the critical regime, the noise power passes through a maximum and has a broad spectrum with a 1/f 1.6 signature, similar to the noise observed near depinning transitions or for solids undergoing plastic deformation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Uncertainty Quantification and Sensitivity Analysis of Low-Dimensional Manifold via Co-Kurtosis PCA in Combustion Modeling

For multi-scale multi-physics applications e.g., the turbulent combustion code Pele, robust and accurate dimensionality reduction is crucial to solving problems at exascale and beyond. A recently developed technique, Co-Kurtosis based Principal Component Analysis (CoK-PCA) which leverages principal vectors of co-kurtosis, is a promising alternative to traditional PCA for complex chemical systems. To improve the effectiveness of this approach, we employ Artificial Neural Networks for reconstructing thermo-chemical scalars, species production rates, and overall heat release rates corresponding to the full state space. Our focus is on bolstering confidence in this deep learning based non-linear reconstruction through Uncertainty Quantification (UQ) and Sensitivity Analysis (SA). UQ involves quantifying uncertainties in inputs and outputs, while SA identifies influential inputs. One of the noteworthy challenges is the computational expense inherent in both endeavors. To address this, we employ the Monte Carlo methods to effectively quantify and propagate uncertainties in our reduced spaces while managing computational demands. Our research carries profound implications not only for the realm of combustion modeling but also for a broader audience in UQ. By showcasing the reliability and robustness of CoK-PCA in dimensionality reduction and deep learning predictions, we empower researchers and decision-makers to navigate complex combustion systems with greater confidence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Machine-learning-assisted analysis of transition metal dichalcogenide thin-film growth

In situ reflective high-energy electron diffraction (RHEED) is widely used to monitor the surface crystalline state during thin-film growth by molecular beam epitaxy (MBE) and pulsed laser deposition. With the recent development of machine learning (ML), ML-assisted analysis of RHEED videos aids in interpreting the complete RHEED data of oxide thin films. The quantitative analysis of RHEED data allows us to characterize and categorize the growth modes step by step, and extract hidden knowledge of the epitaxial film growth process. In this study, we employed the ML-assisted RHEED analysis method to investigate the growth of 2D thin films of transition metal dichalcogenides (ReSe2) on graphene substrates by MBE. Principal component analysis (PCA) and K-means clustering were used to separate statistically important patterns and visualize the trend of pattern evolution without any notable loss of information. Using the modified PCA, we could monitor the diffraction intensity of solely the ReSe2 layers by filtering out the substrate contribution. These findings demonstrate that ML analysis can be successfully employed to examine and understand the film-growth dynamics of 2D materials. Further, the ML-based method can pave the way for the development of advanced real-time monitoring and autonomous material synthesis techniques.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Image analysis techniques with special reference to analysis and interpretation of geological features from LANDSAT imagery

The principal component analysis enhances the contrast existing between the different cover types present in an imagery. A procedure is presented with regards to the determination of the principal components. The method is tested for a portion of the LANDSAT imagery pertaining to Anantapur region. Another technique, using the concept of non-linear contrast stretching is defined and developed and carried out on the same imagery. The results are presented as photographs. An interpretation of the geology of the region is derived from these photographs.

Kamat, D. S.↗

NASA NTRS2005

Principal Component-Based Radiative Transfer Model (PCRTM) for Hyperspectral Sensors: Theoretical Concept - Part I

Modern infrared satellite sensors such as Atmospheric Infrared Sounder (AIRS), Cosmic Ray Isotope Spectrometer (CrIS), Thermal Emission Spectrometer (TES), Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) and Infrared Atmospheric Sounding Interferometer (IASI) are capable of providing high spatial and spectral resolution infrared spectra. To fully exploit the vast amount of spectral information from these instruments, super fast radiative transfer models are needed. This paper presents a novel radiative transfer model based on principal component analysis. Instead of predicting channel radiance or transmittance spectra directly, the Principal Component-based Radiative Transfer Model (PCRTM) predicts the Principal Component (PC) scores of these quantities. This prediction ability leads to significant savings in computational time. The parameterization of the PCRTM model is derived from properties of PC scores and instrument line shape functions. The PCRTM is very accurate and flexible. Due to its high speed and compressed spectral information format, it has great potential for super fast one-dimensional physical retrievals and for Numerical Weather Prediction (NWP) large volume radiance data assimilation applications. The model has been successfully developed for the National Polar-orbiting Operational Environmental Satellite System Airborne Sounder Testbed - Interferometer (NAST-I) and AIRS instruments. The PCRTM model performs monochromatic radiative transfer calculations and is able to include multiple scattering calculations to account for clouds and aerosols.

Liu, Xu↗

DOE OSTI2022

Automated and efficient local adaptive regression for principal component-based reduced-order modeling of turbulent reacting flows

Principal Component Analysis can be used to reduce the cost of Computational Fluid Dynamics simulations of turbulent reacting flows by reducing the dimensionality of the transported variables through projection of the thermochemical state onto a lower-dimensional manifold. However, because of the nonlinearity of the principal component source terms, nonlinear regression techniques must be utilized for the source terms in terms of the principal components. Unfortunately, widely available and utilized nonlinear regression techniques can have prohibitive computational requirements and/or accuracy that is highly dependent on user experience in ad hoc tuning of model architecture and hyperparameters. Here, in this work, a new nonlinear regression approach is proposed that is both computationally efficient and automated so does not require any user input. The approach is evaluated through a priori prediction of principal component source terms using data from a Direct Numerical Simulation of a turbulent nonpremixed n-heptane/air jet flame. In particular, the proposed framework consists of local regressions whose complexity is adapted according to the local nonlinearity of the data: local linear regression when accurate enough and local Artificial Neural Networks when nonlinear regression is required. The number of local clusters for local regression is determined automatically using the Davies-Bouldin index. In addition, Bayesian optimization is utilized for model training (i.e., to select the best architectures and hyperparameters of the nonlinear regressions in an unsupervised fashion), eliminating ad hoc hand-tuning and/or expensive grid searches. Overall, compared to a single, global neural network, the new local adaptive regression approach is shown to have comparable accuracy but 69% less training time due to the utilization of local linear regression and faster training of local neural networks.

42 ENGINEERING↗

DOE OSTI2024

Operando pair distribution function analysis of nanocrystalline functional materials: the case of TiO 2 -bronze nanocrystals in Li-ion battery electrodes

Structural modelling of operando pair distribution function (PDF) data of complex functional materials can be highly challenging. To aid the understanding of complex operando PDF data, this article demonstrates a toolbox for PDF analysis. The tools include denoising using principal component analysis together with the structureMining , similarityMapping and nmfMapping apps available through the online service `PDF in the cloud' ( PDFitc , https://pdfitc.org/). The toolbox is used for both ex situ and operando PDF data for 3 nm TiO 2 -bronze nanocrystals, which function as the active electrode material in a Li-ion battery. The tools enable structural modelling of the ex situ and operando PDF data, revealing two pristine TiO 2 phases (bronze and anatase) and two lithiated Li x TiO 2 phases (lithiated versions of bronze and anatase), and the phase evolution during galvanostatic cycling is characterized.

Chemistry↗

NASA NTRS2011

Annual Cycle of Surface Longwave Radiation

The annual cycles of upward and downward longwave fluxes at the Earth s surface are investigated by use of the NASA/GEWEX Surface Radiation Budget Data Set. Because of the immense difference between the heat capacity of land and ocean, the surface of Earth is partitioned into these two categories. Principal component analysis is used to quantify the annual cycles. Over land, the first principal component describes over 95% of the variance of the annual cycle of the upward and downward longwave fluxes. Over ocean the first term describes more than 87% of these annual cycles. Empirical orthogonal functions show the corresponding geographical distributions of these cycles. Phase plane diagrams of the annual cycles of upward longwave fluxes as a function of net shortwave flux show the thermal inertia of land and ocean.

Mlynczak, Pamela E.↗

DOE OSTI2024

ToF-SIMS evaluation of PEG-related mass peaks and applications in PEG detection in cosmetic products

Polyethylene glycols (PEGs) are used in industrial, medical, health care, and personal care applications. The cycling and disposal of synthetic polymers like PEGs pose significant environmental concerns. Detecting and monitoring PEGs in the real world calls for immediate attention. This study unveils the efficacy of time-of-flight secondary ion mass spectrometry (ToF-SIMS) as a reliable approach for precise analysis and identification of reference PEGs and PEGs used in cosmetic products. By comparing SIMS spectra, we show remarkable sensitivity in pinpointing distinctive ion peaks inherent to various PEG compounds. Moreover, the employment of principal component analysis effectively discriminates compositions among different samples. Notably, the application of SIMS two-dimensional image analysis visually portrays the spatial distribution of various PEGs as reference materials. The same is observed in authentic cosmetic products. The application of ToF-SIMS underscores its potential in distinguishing PEGs within intricate environmental context. ToF-SIMS provides an effective solution to studying emerging environmental challenges, offering straightforward sample preparation and superior detection of synthetic organics in mass spectral analysis. These features show that SIMS can serve as a promising alternative for evaluation and assessment of PEGs in terms of the source, emission, and transport of anthropogenic organics.

36 MATERIALS SCIENCE↗

NASA NTRS2004

An Empirical Cumulus Parameterization Scheme for a Global Spectral Model

Realistic vertical heating and drying profiles in a cumulus scheme is important for obtaining accurate weather forecasts. A new empirical cumulus parameterization scheme based on a procedure to improve the vertical distribution of heating and moistening over the tropics is developed. The empirical cumulus parameterization scheme (ECPS) utilizes profiles of Tropical Rainfall Measuring Mission (TRMM) based heating and moistening derived from the European Centre for Medium- Range Weather Forecasts (ECMWF) analysis. A dimension reduction technique through rotated principal component analysis (RPCA) is performed on the vertical profiles of heating (Q1) and drying (Q2) over the convective regions of the tropics, to obtain the dominant modes of variability. Analysis suggests that most of the variance associated with the observed profiles can be explained by retaining the first three modes. The ECPS then applies a statistical approach in which Q1 and Q2 are expressed as a linear combination of the first three dominant principal components which distinctly explain variance in the troposphere as a function of the prevalent large-scale dynamics. The principal component (PC) score which quantifies the contribution of each PC to the corresponding loading profile is estimated through a multiple screening regression method which yields the PC score as a function of the large-scale variables. The profiles of Q1 and Q2 thus obtained are found to match well with the observed profiles. The impact of the ECPS is investigated in a series of short range (1-3 day) prediction experiments using the Florida State University global spectral model (FSUGSM, T126L14). Comparisons between short range ECPS forecasts and those with the modified Kuo scheme show a very marked improvement in the skill in ECPS forecasts. This improvement in the forecast skill with ECPS emphasizes the importance of incorporating realistic vertical distributions of heating and drying in the model cumulus scheme. This also suggests that in the absence of explicit models for convection, the proposed statistical scheme improves the modeling of the vertical distribution of heating and moistening in areas of deep convection.

Rajendran, K.↗

NASA NTRS2002

Continuum Fitting HST QSO Spectra

The Principal Component Analysis (PCA) method which we are using to fit and describe QSO spectra relies upon the fact that QSO continuum are generally very smooth and simple except for emission and absorption lines. To see this we need high signal-to-noise (S/N) spectra of QSOs at low redshift which have relatively few absorption lines in the Lyman-a forest. We need a large number of such spectra to use as the basis set for the PCA analysis which will find the set of principal component spectra which describe the QSO family as a whole. We have found that too few HST spectra have the required S/N and hence we need to supplement them with ground based spectra of QSOs at higher redshift. We have many such spectra and we have been working to make them suitable for this analysis. We have concentrated on this topic since 12/15/01.

Tytler, David↗

DOE OSTI2023

Data-driven analysis and prediction of wastewater treatment plant performance: Insights and forecasting for sustainable operations

Here this study presents a comprehensive performance and forecasting analysis of the As-Samra wastewater treatment plant (WWTP) in Jordan, with two main objectives. Firstly, a thorough evaluation of the plant's performance is conducted. The analysis involves independently assessing historical operational conditions, plant production, and their statistical correlations using various statistical techniques. The second objective focuses on developing a data-driven forecasting approach to predict the plant's production one month in advance, using multiple machine learning models. The results highlight the effectiveness of principal component analysis (PCA) in simplifying operational data, revealing distinct operational clusters, and identifying seasonal production patterns while showing correlations between operational conditions and overall power production. The support vector machine (SVM) forecasting model emerged as the top performer, showcasing the potential of a hybrid forecasting approach. The findings offer valuable perspectives for enhancing operational efficiency, refining production planning, and ultimately improving the environmental impact of the plant.

42 ENGINEERING↗

NASA NTRS1986

The use of multidate multichannel radiance data in urban feature analysis

Two images were obtained from thematic mappers on Landsats 4 and 5 over the Washington, DC area during November 1982 and March 1984. Selected training areas containing different types of urban land use were examined,one area consisting entirely of forest. Mean digital radiance values for each bandpass in each image were examined, and variances, standard deviations, and covariances between bandpasses were calculated. It has been found that two bandpasses caused forested areas to stand out from other land use types, especially for the November 1982 image. In order to evaluate quantitatively the possible utility of the principal components analysis in selected feature extraction, the eigenvectors were evaluated for principal axes rotations which rendered each selected land use type most separable from all other land use types. The evaluated eigenvectors were plotted as a function of land use type, whose order was decided by considering anticipated shadow component and by examining the relative loadings indicative of vegetation for each of the principal components for the different features considered. The analysis was performed for each seven-band image separately and for the two combined images. It was found that by combining the two images, more dramatic land use type separation could be obtained.

Duggin, M. J.↗

DOE OSTI2025

Mapping Rare Earths and Toxics in E-Waste via Hyperspectral Imaging and Machine Learning

Electronic waste (e-waste) presents a mounting challenge to environmental sustainability due to its complex composition, which includes high-value rare earth elements, hazardous organic compounds, and non-recyclable plastics. Accurate and scalable material classification is essential for enabling efficient resource recovery and safe recycling practices. This study introduces a confidence-aware classification pipeline that combines mid-infrared hyperspectral imaging (HSI), spectral angle mapping (SAM), and iterative machine learning to perform pixel-level material identification across e-waste devices. A curated spectral library encompassing artificial materials (e.g., plastic iron oxide, galvanized metals), minerals (e.g., allanite, hematite), and organic compounds (e.g., benzanthracene, toluene) was used to generate pseudo-labels, each assigned a confidence score based on SAM-derived spectral similarity. High-confidence samples from seven consumer electronics—digital cameras, keyboards, laptop fans, modems, motherboards, TV remotes, and speakers—were iteratively expanded and classified using models such as Support Vector Machine (SVM), Random Forest, Gradient Boosting Classifier, Partial Least Squares Discriminant Analysis (PLSDA) and Logistic Regression. The best-performing classifiers achieved macro F1 scores approaching 1.0. Results revealed widespread plastic content (dominated by plastic iron oxide), the presence of rare earth-bearing minerals like cerium-containing allanite, and pervasive detection of hazardous organics such as benzanthracene. Principal Component Analysis (PCA) visualizations and confusion matrices confirmed high separability and robust classification performance. This methodology enables precise, non-destructive, and scalable classification of heterogeneous e-waste streams. It supports automated, hazard-aware sorting in recycling workflows, facilitating selective recovery of critical materials and compliance with circular economy goals. The confidence-aware framework provides a foundation for real-time deployment in industrial settings, offering significant implications for smart e-recycling infrastructure and policy-driven material stewardship.

Circular economy↗

NASA NTRS2014

Application of Spectral Analysis Techniques in the Intercomparison of Aerosol Data: Part III. Using Combined PCA to Compare Spatiotemporal Variability of MODIS, MISR and OMI Aerosol Optical Depth

Satellite measurements of global aerosol properties are very useful in constraining aerosol parameterization in climate models. The reliability of different data sets in representing global and regional aerosol variability becomes an essential question. In this study, we present the results of a comparison using combined principal component analysis (CPCA), applied to monthly mean, mapped (Level 3) aerosol optical depth (AOD) product from Moderate Resolution Imaging Spectroradiometer (MODIS), Multiangle Imaging Spectroradiometer (MISR), and Ozone Monitoring Instrument (OMI). This technique effectively finds the common space-time variability in the multiple data sets by decomposing the combined AOD field. The results suggest that all of the sensors capture the globally important aerosol regimes, including dust, biomass burning, pollution, and mixed aerosol types. Nonetheless, differences are also noted. Specifically, compared with MISR and OMI, MODIS variability is significantly higher over South America, India, and the Sahel. MODIS deep blue AOD has a lower seasonal variability in North Africa, accompanied by a decreasing trend that is not found in either MISR or OMI AOD data. The narrow swath of MISR results in an underestimation of dust variability over the Taklamakan Desert. The MISR AOD data also exhibit overall lower variability in South America and the Sahel. OMI does not capture the Russian wild fire in 2010 nor the phase shift in biomass burning over East South America compared to Central South America, likely due to cloud contamination and the OMI row anomaly. OMI also indicates a much stronger (boreal) winter peak in South Africa compared with MODIS and MISR.

satellite observation↗

NASA NTRS2009

Radiative Transfer Modeling and Retrievals for Advanced Hyperspectral Sensors

A novel radiative transfer model and a physical inversion algorithm based on principal component analysis will be presented. Instead of dealing with channel radiances, the new approach fits principal component scores of these quantities. Compared to channel-based radiative transfer models, the new approach compresses radiances into a much smaller dimension making both forward modeling and inversion algorithm more efficient.

Liu, Xu↗

DOE OSTI2023

Synoptic Typing of Multiduration, Heavy Precipitation Records in the Northeastern United States: 1895–2017

Much of the previous research on total and heavy precipitation trends across the northeastern United States (herein, the Northeast) used daily precipitation totals over relatively short periods of record, which do not capture the full range of climate variability and change. Less well understood are the characteristics of long-term changes and synoptic patterns in longer-duration heavy precipitation events across the Northeast. A multiduration (1, 2, 3, 7, 14, and 30 days), multi-return-interval (2, 5, 10, and 50 years) precipitation dataset was used to diagnose changes in various types of precipitation events across the Northeast from 1895 to 2017. Increasing trends were found in all duration and return-interval event combinations with the rarest, longest duration events increasing at faster rates than more-frequent, shorter-duration ones. Daily 850-hPa geopotential height patterns associated with precipitation events were extracted from rotated principal component analysis and k -means clustering analysis, which allowed for the main synoptic types present as well as their structure and evolution to be analyzed. The daily synoptic patterns thus identified were found to be similar across all durations and return intervals and included coastal low (Northeasters, tropical cyclones, and predecessor rain events), deep trough, East Coast trough, zonal, and high pressure patterns.

54 ENVIRONMENTAL SCIENCES↗