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At least 307 records · Page 17

Baycal

Bayesian Model Calibration (BayCal) toolkit is a software plugin for Risk Analysis Virtual Environment (RAVEN) framework, arming at inversely quantifying the uncertainties associated with simulation model parameters based on available experiment data. BayCal seeks statistical inference of the uncertain input parameters that are consistent with the available measurement data or observed data. The unique feature of BayCal is the capability to be linked with RAVEN to build corresponding calibration workflows for complex multi-physics simulations. In addition to be able to use the machine learning capability of RAVEN to significantly reduce the computational cost of expensive simulation models, another distinctive feature of BayCal is the capability to deal with high-dimensional correlated model outputs, such as time series observations at multiple locations, via principal component analysis (PCA) technique.

Wang, Congjian↗

Revealing Phase Heterogeneity in Vertically Aligned Nanocomposites via Plan-View Electron Energy Loss Spectroscopy

Hydrogen utilization in clean energy technologies is challenged by limited storage and transport within materials, owing to the complex hydrogen kinetics at interfaces [1]. Understanding these interfacial mechanisms at the nanoscale is crucial for developing improved materials for hydrogen applications, particularly proton-conducting fuel cells (PCFCs). Vertically aligned nanocomposites (VANs) grown by pulsed laser deposition (PLD) offer a unique platform for investigating the interfacial effects on hydrogen transport due to their well-defined interfaces parallel to the direction of charge transport [2-4]. To investigate hydrogen transport, the two phases within the VANs were chosen as BaZr 0.9 Y 0.1 O 3-x (BZY), a known proton conductor, and Pr 0.1 Ce 0.9 O 2-x (PCO), a mixed ionic-electronic conductor [5]. This PCO-BZY VANs architecture allows the investigation of how the interface between a proton conductor and a mixed conductor influences hydrogen transport. However, because of the small size of hydrogen, it is difficult to discern the nature of its interactions with interfaces from bulk measurements at the macroscale, thus necessitating nanoscale measurements [6]. Electron energy loss spectroscopy (EELS) allows for nanometer-resolution probing of the local atomic structure and chemistry at the BZY/PCO interface. In this study, plan-view analysis of PCO-BZY VANs films was employed to characterize the structure and phase distribution of the VANs and investigate the interface between the nanostructures. The films were imaged using scanning electron microscopy (SEM) in the Hitachi S-4800 SEM, collecting secondary electron images using mixed upper and lower detectors. Then, plan-view transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) EELS were employed using a JEOL ARM300 microscope operated at 300kV with a Gatan K3 GIF Continuum detector to study the distribution of the BZY and PCO phases through the film. As a result, spectrum images were acquired at a dispersion of 0.18eV per channel and denoised afterward by principal component analysis (PCA) method.

Griffin, Elizabeth [Northwestern University, Evans↗

Study of LANDSAT-D thematic mapper performance as applied to hydrocarbon exploration

Analysis of the tapes of the Detroit, Michigan scene, which were received in fully processed format with geometric and radiometric correction, shows evidence of an along line data slip every sixteenth line in TM channel 2. Very large scale products were therefore generated in false color using channels 1, 3, and 4. Subjective evaluation of these enhanced scenes indicates that they are acceptable for interpretation at scales up to 1:50,000 and should be useful for change mapping probably up to 1:24,000 scale. The significant striping visible in water bodies for both the natural color and false color products indicates that the detector calibration is probably performing below the preflight specification. Variance-covariance matrices were computed and principal component analysis were performed for a set of 512 x 512 windows within the Arkansas scene. Initial analysis shows the shortwave infrared channels (TM 5 and 6) are a highly significant data source. The thermal channel (TM 7) shows negative correlation with TM 1 through 4.

Source record↗

raogroupuiuc/lipo11557_growth

Project: Systems analysis of Lipomyces starkeyi during growth on various plant-based sugars Authors: Anshu Deewan*, Jing-Jing Liu*, Sujit Sadashiv Jagtap, Eun Ju Yun, Hanna E Walukiewicz, Yong-Su Jin, Christopher V Rao (* - co-authors) Abstract : Oleaginous yeasts have received significant attention due to their substantial lipids storage capability. The accumulated lipids can be utilized directly or processed into various bioproducts and biofuels. Lipomyces starkeyi is an oleaginous yeast capable of using multiple plant-based sugars, such as glucose, xylose, and cellobiose. It is, however, a relatively unexplored yeast due to limited knowledge about its physiology. In this study, we have evaluated the growth of L. starkeyi on different sugars and performed transcriptomic and metabolomic analyses to understand the underlying mechanisms of sugar metabolism. Principal component analysis showed clear differences resulting from growth on different sugars. We have further reported various metabolic pathways activated during growth on these sugars. We also observed non-specific regulation in L. starkeyi and have updated the gene annotations for the NRRL Y-11557 strain. This analysis provides a foundation for understanding the metabolism of these plant-based sugars and potentially valuable information to guide the metabolic engineering of L. starkeyi to produce bioproducts and biofuels.

Deewan, Anshu↗

Machine Learning-Driven Reliability Estimation of PV Inverters Considering Alert-Ambient Variability

Weather-induced spatio-temporal degradation limits outdoor PV inverter lifetime and reliability, necessitating advanced data analysis. This study employs a top-down, data-driven approach utilizing multiple machine learning (ML) algorithms to estimate inverter reliability in a 1.4 MW PV power plant, considering factors such as irradiance, humidity, temperature, time of day, and weather conditions. An extensive alert dataset from 17 identical inverters, including alert types, propagation, and frequency, reveals significant correlations with environmental factors and inverter output power, enabling the construction of a performance reliability model. Dual-stage supervised-ML models are evaluated for accuracy, with the ‘classification-regression’ model by an artificial neural network (ANN) tested on the averaged “Alert-Ambient” dataset, which is outperformed by ‘clustering-regression’ models using random forest (RF) and K-Nearest Neighbors (KNN) on individual inverter datasets. K-means clustering applies principal component analysis to reduce dimensions, achieving improved accuracy beyond the 80% achieved by ANN on the averaged dataset. Second-stage regression estimates inverter reliability with a mean square error of 0.0195 on the averaged dataset and as low as 0.002 on individual inverter datasets using RF. Furthermore, these findings highlight the method's suitability for estimating PV inverter output reliability under ambient conditions, essential for digital twin development and related applications.

14 SOLAR ENERGY↗

An initial analysis of LANDSAT 4 Thematic Mapper data for the classification of agricultural, forested wetland, and urban land covers

An initial analysis of LANDSAT 4 thematic mapper (TM) data for the delineation and classification of agricultural, forested wetland, and urban land covers was conducted. A study area in Poinsett County, Arkansas was used to evaluate a classification of agricultural lands derived from multitemporal LANDSAT multispectral scanner (MSS) data in comparison with a classification of TM data for the same area. Data over Reelfoot Lake in northwestern Tennessee were utilized to evaluate the TM for delineating forested wetland species. A classification of the study area was assessed for accuracy in discriminating five forested wetland categories. Finally, the TM data were used to identify urban features within a small city. A computer generated classification of Union City, Tennessee was analyzed for accuracy in delineating urban land covers. An evaluation of digitally enhanced TM data using principal components analysis to facilitate photointerpretation of urban features was also performed.

Quattrochi, D. A.↗

New Measurements of the Lyα Forest Continuum and Effective Optical Depth with LyCAN and DESI Y1 Data

Abstract We present the Ly α Continuum Analysis Network (LyCAN), a convolutional neural network that predicts the unabsorbed quasar continuum within the rest-frame wavelength range of 1040–1600 Å based on the red side of the Ly α emission line (1216–1600 Å). We developed synthetic spectra based on a Gaussian mixture model representation of nonnegative matrix factorization (NMF) coefficients. These coefficients were derived from high-resolution, low-redshift ( z < 0.2) Hubble Space Telescope/Cosmic Origins Spectrograph (COS) quasar spectra. We supplemented this COS-based synthetic sample with an equal number of DESI Year 5 mock spectra. LyCAN performs extremely well on testing sets, achieving a median error in the forest region of 1.5% on the DESI mock sample, 2.0% on the COS-based synthetic sample, and 4.1% on the original COS spectra. LyCAN outperforms principal component analysis (PCA) and NMF-based prediction methods using the same training set by 40% or more. We predict the intrinsic continua of 83,635 DESI Year 1 spectra in the redshift range of 2.1 ≤ z ≤ 4.2 and perform an absolute measurement of the evolution of the effective optical depth. This is the largest sample employed to measure the optical depth evolution to date. We fit a power law of the form τ ( z ) = τ 0 ( 1 + z ) γ to our measurements and find τ 0 = (2.46 ± 0.14) × 10 −3 and γ = 3.62 ± 0.04. Our results show particular agreement with high-resolution, ground-based observations around z = 2, indicating that LyCAN is able to predict the quasar continuum in the forest region with only spectral information outside the forest.

79 ASTRONOMY AND ASTROPHYSICS↗

Extension and Statistical Analysis of the GACP Aerosol Optical Thickness Record.

The primary product of the Global Aerosol Climatology Project (GACP) is a continuous record of the aerosol optical thickness (AOT) over the oceans. It is based on channel-1 and -2 radiance data from the Advanced Very High Resolution Radiometer (AVHRR) instruments flown on successive National Oceanic and Atmospheric Administration (NOAA) platforms. We extend the previous GACP dataset by four years through the end of 2009 using NOAA-17 and -18 AVHRR radiances recalibrated against MODerate resolution Imaging Spectroradiometer (MODIS) radiance data, thereby making the GACP record almost three decades long. The temporal overlap of over three years of the new NOAA-17 and the previous NOAA-16 record reveals an excellent agreement of the corresponding global monthly mean AOT values, thereby confirming the robustness of the vicarious radiance calibration used in the original GACP product. The temporal overlap of the NOAA-17 and -18 instruments is used to introduce a small additive adjustment to the channel-2 calibration of the latter resulting in a consistent record with increased data density. The Principal Component Analysis (PCA) of the newly extended GACP record shows that most of the volcanic AOT variability can be isolated into one mode responsible for ~12% of the total variance. This conclusion is confirmed by a combined PCA analysis of the GACP, MODIS, andMulti-angle Imaging SpectroRadiometer (MISR) AOTs during the volcano-free period fromFebruary 2000 to December 2009.We show that the modes responsible for the tropospheric AOT variability in the three datasets agree well in terms of correlation and spatial patterns. A previously identified negative AOT trend which started in the late 1980s and continued into the early 2000s is confirmed. Its magnitude and duration indicate that it was caused by changes in tropospheric aerosols. The latest multi-satellite segment of the GACP record shows that this trend tapered off, with no noticeable AOT change after 2002. This result is consistent with the MODIS andMISR AOT records as well as with the recent gradual reversal frombrightening to dimming revealed by surface flux measurements in many aerosol producing regions. Thus the robustness of the GACP record is confirmed, increasing our confidence in the validity of the negative trend. Although the nominal negative GACP AOT trend could partially be an artifact of increasing aerosol absorption, we argue that the time dependence of the GACP record, including the latest flat period, is more consistent with the actual decrease in the tropospheric AOT.

aerosols↗

Exploring Geothermal Potential of Great Basin Sub-Regions: Preprint

The INnovative Geothermal Exploration through Novel Investigations Of Undiscovered Systems (INGENIOUS) project aims to discover new, economically viable hidden geothermal systems in the Great Basin region by building on previous work in play fairway analysis and machine learning. A key objective of this project is to develop an exploration workflow to reduce geothermal exploration risks for hidden geothermal systems. A single preliminary play fairway workflow was developed from the assessment of the regional INGENIOUS geological, geophysical, and geochemical datasets. This workflow provided new preliminary predictive geothermal fairway maps for the INGENIOUS study area, which encompasses most of Nevada, western Utah, southern Idaho, southeastern Oregon, and easternmost California. However, a recent study (incorporating machine learning techniques) of a portion of Nevada identified four geologic domains and determined that the relative importance of individual datasets or features as indicators of geothermal potential may differ across these domains. The INGENIOUS study area includes a much larger and more geologically diverse region; therefore, additional geologic domains or sub-regions are expected. To assess the sub-regions in the INGENIOUS study area, principal component analysis and k-means clustering were applied. Preliminary results indicate that the INGENIOUS regional data cluster into groups that relate to different geologic domains in the Great Basin region. These include domains such as the Walker Lane, extensional western Great Basin region, broad lower strain region in the eastern Great Basin of western Utah and eastern Nevada, Quaternary volcanic fields, and the area adjacent to the Snake River Plain. These clusters are assessed to determine the key geologic drivers of the identified clusters. Understanding this variability can provide key insights for the exploration and characterization of hidden geothermal systems in the Great Basin region and could indicate the need to develop multiple geothermal conceptual models and play fairway workflows for the INGENIOUS study area.

GEOTHERMAL ENERGY↗

Exploring Geothermal Potential of Great Basin Sub-Regions

The INnovative Geothermal Exploration through Novel Investigations Of Undiscovered Systems (INGENIOUS) project aims to discover new, economically viable hidden geothermal systems in the Great Basin region by building on previous work in play fairway analysis and machine learning. A key objective of this project is to develop an exploration workflow to reduce geothermal exploration risks for hidden geothermal systems. A single preliminary play fairway workflow was developed from the assessment of the regional INGENIOUS geological, geophysical, and geochemical datasets. This workflow provided new preliminary predictive geothermal fairway maps for the INGENIOUS study area, which encompasses most of Nevada, western Utah, southern Idaho, southeastern Oregon, and easternmost California. However, a recent study (incorporating machine learning techniques) of a portion of Nevada identified four geologic domains and determined that the relative importance of individual datasets or features as indicators of geothermal potential may differ across these domains. The INGENIOUS study area includes a much larger and more geologically diverse region; therefore, additional geologic domains or sub-regions are expected. To assess the sub-regions in the INGENIOUS study area, principal component analysis and k-means clustering were applied. Preliminary results indicate that the INGENIOUS regional data cluster into groups that relate to different geologic domains in the Great Basin region. These include domains such as the Walker Lane, extensional western Great Basin region, broad lower strain region in the eastern Great Basin of western Utah and eastern Nevada, Quaternary volcanic fields, and the area adjacent to the Snake River Plain. These clusters are assessed to determine the key geologic drivers of the identified clusters. Understanding this variability can provide key insights for the exploration and characterization of hidden geothermal systems in the Great Basin region and could indicate the need to develop multiple geothermal conceptual models and play fairway workflows for the INGENIOUS study area.

exploration↗

Improved precision in As speciation analysis with HERFD-XANES at the As K -edge: the case of As speciation in mine waste

High-energy-resolution fluorescence-detected (HERFD) X-ray absorption near-edge spectroscopy (XANES) is a spectroscopic method that allows for increased spectral feature resolution, and greater selectivity to decrease complex matrix effects compared with conventional XANES. XANES is an ideal tool for speciation of elements in solid-phase environmental samples. Accurate speciation of As in mine waste materials is important for understanding the mobility and toxicity of As in near-surface environments. In this study, linear combination fitting (LCF) was performed on synthetic spectra generated from mixtures of eight measured reference compounds for both HERFD-XANES and transmission-detected XANES to evaluate the improvement in quantitative speciation with HERFD-XANES spectra. The reference compounds arsenolite (As 2 O 3 ), orpiment (As 2 S 3 ), getchellite (AsSbS 3 ), arsenopyrite (FeAsS), kaňkite (FeAsO 4 ·3.5H 2 O), scorodite (FeAsO 4 ·2H 2 O), sodium arsenate (Na 3 AsO 4 ), and realgar (As 4 S 4 ) were selected for their importance in mine waste systems. Statistical methods of principal component analysis and target transformation were employed to determine whether HERFD improves identification of the components in a dataset of mixtures of reference compounds. LCF was performed on HERFD- and total fluorescence yield (TFY)-XANES spectra collected from mine waste samples. Arsenopyrite, arsenolite, orpiment, and sodium arsenate were more accurately identified in the synthetic HERFD-XANES spectra compared with the transmission-XANES spectra. In mine waste samples containing arsenopyrite and either scorodite or kaňkite, LCF with HERFD-XANES measurements resulted in fits with smaller R -factors than concurrently collected TFY measurements. The improved accuracy of HERFD-XANES analysis may provide enhanced delineation of As phases controlling biogeochemical reactions in mine wastes, contaminated soils, and remediation systems.

58 GEOSCIENCES↗

Machine Learning for Anomaly Detection in Neural Network Security and SRF Cavities

This dissertation explores the development and deployment of machine learning approaches to address critical challenges in anomaly detection across two distinct domains: neural network security in federated learning settings and cavity behavior analysis in particle accelerator operations at Jefferson Lab in Newport News, Virginia. Anomaly detection identifies deviations from expected patterns, safeguarding systems in cybersecurity, industry, and research against malicious activities and failures. This dissertation demonstrates how our machine learning approaches enhance detection accuracy and efficiency in both neural network security and industrial applications. First, we investigate vulnerabilities in deep neural networks deployed in federated learning. Although federated learning preserves user privacy by training models locally, it remains vulnerable to backdoor attacks, in which malicious participants embed hidden triggers that induce targeted misbehavior. We propose a self-supervised contrastive learning framework to detect and mitigate such backdoor attacks. In our experiments, this method achieves higher detection accuracy and lower false positive rates than existing defenses, while operating without access to local model updates or original training data and thus preserving the privacy guarantees of the federated setting. Second, we address the operational reliability of superconducting radio-frequency (SRF) cavities at the Continuous Electron Beam Accelerator Facility (CEBAF). Our research leverages an unsupervised learning approach, combined with Principal Component Analysis (PCA) and k-means clustering, to identify anomalous behaviors in SRF cavities. Our method detects subtle anomalous behavior by analyzing SRF signal data. This knowledge allows for the early detection and resolution of potential faults, significantly improving the efficiency and reliability of operations. Third, we extend these insights to time-series anomaly detection more broadly. We design a contrastive-learning based model tailored to increasingly dynamic environments and academic research. This model improves detection accuracy in settings that require real-time monitoring and predictive maintenance. Our research underscores the broader applicability and impact of advanced machine learning techniques in anomaly detection. By extracting meaningful patterns from complex data, machine learning can significantly enhance security in distributed neural networks and improve the efficiency of particle accelerator operations. This dissertation serves as a stepping stone for future investigations into the vast possibilities of anomaly detection, inspiring further exploration and development of machine learning techniques in this field.

Ferguson, Hal [Old Dominion University]↗

Neural network uncertainty assessment using Bayesian statistics: a remote sensing application

Neural network (NN) techniques have proved successful for many regression problems, in particular for remote sensing; however, uncertainty estimates are rarely provided. In this article, a Bayesian technique to evaluate uncertainties of the NN parameters (i.e., synaptic weights) is first presented. In contrast to more traditional approaches based on point estimation of the NN weights, we assess uncertainties on such estimates to monitor the robustness of the NN model. These theoretical developments are illustrated by applying them to the problem of retrieving surface skin temperature, microwave surface emissivities, and integrated water vapor content from a combined analysis of satellite microwave and infrared observations over land. The weight uncertainty estimates are then used to compute analytically the uncertainties in the network outputs (i.e., error bars and correlation structure of these errors). Such quantities are very important for evaluating any application of an NN model. The uncertainties on the NN Jacobians are then considered in the third part of this article. Used for regression fitting, NN models can be used effectively to represent highly nonlinear, multivariate functions. In this situation, most emphasis is put on estimating the output errors, but almost no attention has been given to errors associated with the internal structure of the regression model. The complex structure of dependency inside the NN is the essence of the model, and assessing its quality, coherency, and physical character makes all the difference between a blackbox model with small output errors and a reliable, robust, and physically coherent model. Such dependency structures are described to the first order by the NN Jacobians: they indicate the sensitivity of one output with respect to the inputs of the model for given input data. We use a Monte Carlo integration procedure to estimate the robustness of the NN Jacobians. A regularization strategy based on principal component analysis is proposed to suppress the multicollinearities in order to make these Jacobians robust and physically meaningful.

Neural Networks (Computer)↗

Passive microwave observations of the Wedell Sea during austral winter and early spring

The results of multispectral passive microwave observations (6.7 to 90-GHz) are presented from the cruises of the FS Polarstern in the Weddell Sea from July to December 1986. This paper includes primarily the analysis of radiometric observations taken at ice station sites. Averaged emissivity spectra for first-year (FY) ice were relatively constant throughout the experiment and were not statistically different from FY ice signatures in the Arctic. Detailed ice characterization was carried out at each site to compare the microwave signatures of the ice with the physical properties. Absorption optical depths of FY ice were found to be sufficiently high that only the structure in the upper portions of the ice contributed significantly to interstation emissivity variations. The emissivities at 90-GHz, e(90), had the greatest variance. Both e(90) at vertical polarization and GR(sub e)(90, 18.7)(defined as (e(sub V)(90)-e(sub V)(18.7))/e(sub V)(90 + e(sub V)(18.7)) depended on the scattering optical depth which is a function of the snow grain diameter and layer thickness. The variance showed a latitude dependence and is probably due to an increase in the strength of snow metamorphism nearer the northern edge of the ice pack. The contribution of variations of near-surface brine volume to the emissivity was not significant over the range of values encountered at the station sites. Emissivity spectra are presented for a range of thin ice types. Unsupervised principal component analysis produced three significant eigenvectors and showed a separation among four different surface types: open water, thin ice, FY ice, and FY ice with a thick snow cover. A comparison with SMMR satellite data showed that average ice concentrations derived from the ship's ice watch log were consistent with the satellite concentrations. The surface based emissivities for FY ice were also compared with emissivities calculated from scanning multichannel microwave radiometer (SMMR) satellite radiances. Best agreement was found at 6.7 and 10-GHz, while at 18 and 37-GHz, SMMR emissivities were slightly lower than surface based results. For the three lower frequencies agreement was found within a confidence limit of 95% and for 37-GHz within about 90%.

Grenfell, T. C.↗

Predicting the Seawater Chemistry of an Ocean World Using Machine Learning on Isotopic Measurements of Volatile CO2

Introduction: Given the long time intervals required for data transmission to and from ocean worlds targets, low bandwidth for data transmission, time required for data processing and analysis, and potentially extreme radiation environments (e.g., Europa), it is clear that ocean worlds missions will need more autonomous flight instruments and software in order to achieve established science goals. Protracted time intervals for data analysis (e.g., Europa Lander) strongly motivates the development of rapid, consistent and streamlined methods for interpreting data from flight mass spectrometers to e.g., determine how mass spectra from a plume or surface liquid/ice relates to the surface/subsurface. Since mass spectrometry also has the potential to correctly identify biosignatures[1], it is imperative that such methods for interpreting data are consistent and accurate. We used 848 isotope ratio mass spectra from laboratory analyses of CO2 that interacted with ocean worlds-relevant seawaters as a ‘training’ dataset for ‘unsupervised’ machine learning. In unsupervised learning, characteristics of the data are not labeled or linked, and any similarities found only result from the neural network. CO2 isotopologues analyzed for this dataset mimic the remote measurements of CO2 by a flight mass spectrometer, and are detailed in Theiling [2]. From this dataset, we used measured features of the spectra, such as retention time, intensity, and (isotopologue) mass ratios as inputs for our autoencoder neural network. Our neural network was trained to find similarities in these and other spectral features for seawaters of a particular composition and amount of initial CO2. Successful training then created an output of these similarities for various seawaters, which included MgSO4, Na2SO4, NaCl, MgCl2, KCl, and NaHCO3, and combinations of these salts. We then applied dimensionality reduction techniques such as Principal Component Analysis (PCA), T-Distributed Stochastic Neighbor Embedding (TSNE), and Uniform Manifold Approximation and Projection (UMAP) to demonstrate latent data features as a two-dimensional projection in a unitless, high-dimensional space. In this projection, a data point represents the combined effect of spectral features such as intensity, retention time, and isotope ratio. Our initial UMAP demonstrates data clustering (organization of the data by the neural network) based on the amount of CO2 that had initially interacted with each seawater. Further training using more ‘supervised’ learning techniques demonstrate strong clustering of preliminary data based on initial CO2 concentration, seawater chemical composition, and ionic strength (salinity). Our preliminary work therefore suggests that machine learning has the potential to identify compositional variants of an ocean world seawater based on mass spectra from volatile CO2 measurements. Acknowledgments: This work was funded through a Strategic Task Group at NASA Goddard Space Flight Center. The training dataset was collected through funding from the Oklahoma Space Grant Consortium. References: [1] Pappalardo, R. et al. (2013) Astrobiology, 13, 740–773. [2] Theiling (2020) Icarus, 114216.

Europa↗

Surface analysis insight note: Differentiation methods applicable to noisy data for determination of sp2‐ versus sp3‐hybridization of carbon allotropes and AES signal strengths

The derivatives of the spectra are commonly used for quantification in Auger Electron Spectroscopy (AES) spectra, while the derivative of the KLL C Auger line has proven to be valuable in obtaining a measure of the relative proportions of sp 2 ‐ and sp 3 ‐hybridization using the D‐parameter in both AES and X‐ray Photoelectron Spectroscopy (XPS). Differentiation of X‐ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES) spectra by numerical means is presented and illustrated for polymeric, such as PEEK and Nylon, as well as for graphitic materials including highly ordered pyrolytic graphite and graphene oxide. The most commonly available Savitzky–Golay method is explained mathematically and developed through the case of constructing a 5‐point quadratic polynomial convolution kernel suitable for differentiating spectra of adequate signal to noise. The concept of differentiation of spectra where signal to noise is less than adequate is also developed. Two alternative strategies to Savitzky–Golay differentiation are presented, which fit curves to data that allow derivatives to be obtained where Savitzky–Golay would otherwise fail. These alternative methods involve constructing a parametric curve that fits data over the entire energy interval of interest. Derivatives of spectra are then obtained by differentiating these parametric curves directly. A comparison of results for different materials for which specific sp 2 ‐ vs sp 3 ‐hybridized carbon proportions are of interest is used to emphasize the importance of characterizing methods used to differentiate spectra and understanding the characteristics of instrumentation used to measure spectra. The case for using Principal Component Analysis noise reduction with C KLL spectra is made for spectra collected from a heterogeneous graphene oxide sample.

Fairley, Neal↗

Analysis of Salinity Intrusion in the San Francisco Bay-Delta using a GA- Optimized Neural Net, and Application of the Model to Prediction in the Elkhorn Slough Habitat

The San Francisco Bay Delta is a large hydrodynamic complex that incorporates the Sacramento and San Joaquin Estuaries, the Burman Marsh, and the San Francisco Bay proper. Competition exists for the use of this extensive water system both from the fisheries industry, the agricultural industry, and from the marine and estuarine animal species within the Delta. As tidal fluctuations occur, more saline water pushes upstream allowing fish to migrate beyond the Burman Marsh for breeding and habitat occupation. However, the agriculture industry does not want extensive salinity intrusion to impact water quality for human and plant consumption. The balance is regulated by pumping stations located alone the estuaries and reservoirs whereby flushing of fresh water keeps the saline intrusion at bay. The pumping schedule is driven by data collected at various locations within the Bay Delta and by numerical models that predict the salinity intrusion as part of a larger model of the system. The Interagency Ecological Program (IEP) for the San Francisco Bay/Sacramento-San Joaquin Estuary collects, monitors, and archives the data, and the Department of Water Resources provides a numerical model simulation (DSM2) from which predictions are made that drive the pumping schedule. A problem with this procedure is that the numerical simulation takes roughly 16 hours to complete a C:~ prediction. We have created a neural net, optimized with a genetic algorithm, that takes as input the archived data from multiple stations and predicts stage, salinity, and flow at the Carquinez Straits (at the downstream end of the Burman Marsh). This model seems to be robust in its predictions and operates much faster than the current numerical DSM2 model. Because the system is strongly tidal driven, we used both Principal Component Analysis and Fast Fourier Transforms to discover dominant features within the IEP data. We then filtered out the dominant tidal forcing to discover non-primary tidal effects, and used this to enhance the neural network by mapping input-output relationships in a more efficient manner. Furthermore, the neural network implicitly incorporates both the hydrodynamic and water quality models into a single predictive system. Although our model has not yet been enhanced to demonstrate improve pumping schedules, it has the possibility to support better decision-making procedures that may then be implemented by State agencies if desired. Our intention is now to use this model in the smaller Elkhorn Slough complex near Monterey Bay where no such hydrodynamic model currently exists. At the Elkhorn Slough, we are fusing the neural net model of tidally-driven flow with in situ flow data and airborne and satellite remote sensation data. These further constrain the behavior of the model in predicting the longer-term health and future of this vital estuary.

Thompson, David E.↗

DEEPEN 3D PFA Weights for Exploration Datasets in Magmatic Environments

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the development of the DEEPEN 3D play fairway analysis (PFA) methodology for magmatic plays (conventional hydrothermal, superhot EGS, and supercritical), weights needed to be developed for use in the weighted sum of the different favorability index models produced from geoscientific exploration datasets. This GDR submission includes those weights. The weighting was done using two different approaches: one based on expert opinions, and one based on statistical learning. The weights are intended to describe how useful a particular exploration method is for imaging each component of each play type. They may be adjusted based on the characteristics of the resource under investigation, knowledge of the quality of the dataset, or simply to reduce the impact a single dataset has on the resulting outputs. Within the DEEPEN PFA, separate sets of weights are produced for each component of each play type, since exploration methods hold different levels of importance for detecting each play component, within each play type. The weights for conventional hydrothermal systems were based on the average of the normalized weights used in the DOE-funded PFA projects that were focused on magmatic plays. This decision was made because conventional hydrothermal plays are already well-studied and understood, and therefore it is logical to use existing weights where possible. In contrast, a true PFA has never been applied to superhot EGS or supercritical plays, meaning that exploration methods have never been weighted in terms of their utility in imaging the components of these plays. To produce weights for superhot EGS and supercritical plays, two different approaches were used: one based on expert opinion and the analytical hierarchy process (AHP), and another using a statistical approach based on principal component analysis (PCA). The weights are intended to provide standardized sets of weights for each play type in all magmatic geothermal systems. Two different approaches were used to investigate whether a more data-centric approach might allow new insights into the datasets, and also to analyze how different weighting approaches impact the outcomes. The expert/AHP approach involved using an online tool (https://bpmsg.com/ahp/) with built-in forms to make pairwise comparisons which are used to rank exploration methods against one-another. The inputs are then combined in a quantitative way, ultimately producing a set of consensus-based weights. To minimize the burden on each individual participant, the forms were completed in group discussions. While the group setting means that there is potential for some opinions to outweigh others, it also provides a venue for conversation to take place, in theory leading the group to a more robust consensus then what can be achieved on an individual basis. This exercise was done with two separate groups: one consisting of U.S.-based experts, and one consisting of Iceland-based experts in magmatic geothermal systems. The two sets of weights were then averaged to produce what we will from here on refer to as the "expert opinion-based weights," or "expert weights" for short. While expert opinions allow us to include more nuanced information in the weights, expert opinions are subject to human bias. Data-centric or statistical approaches help to overcome these potential human biases by focusing on and drawing conclusions from the data alone. More information on this approach along with the dataset used to produce the statistical weights may be found in the linked dataset below.

15 GEOTHERMAL ENERGY↗