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DOE OSTI2026

Mountain Basin Controls on the Snow-to-Streamflow Signal: An AIC-Weighted Multiple Linear Regression Framework

A regression-based analysis quantifies how basin characteristics modulate the snow-to-streamflow signal. First, we use the ERA5-Land reanalysis gridded product (European Centre for Medium Range Weather Forecasts reanalysis 5 -Land component) for 4,655 hydrologic unit code - 10 (HUC10) mountain basins across the western United States (US) for water years 1987–2024. Linear regressions are performed for peak snow water equivalent (SWE) and annual streamflow for each mountain basin. Models use ordinary least squares in Python’s statsmodels package. After which, an Akaike Information Criterion (AIC)–weighted ensemble multiple linear regression (MLR) framework with 47 watershed traits is used to predict the linear regression coefficient of determination (r-squared) defining the ability of peak SWE to predict annual streamflow across all mountain basin. Predictor sets are constrained to avoid multicollinearity by excluding models with variance inflation factors (VIF) greater than 5. Mountain basin traits included in the MLR include seasonal climate, topography, vegetation type and structure, and bedrock geology. Accepted models are considered if their AIC is within 2.0 of the model with the minimum AIC, or best model. To compare predictor influence across acceptable models, we computed standardized regression coefficients. To evaluate structural redundancy among models, we constructed binary inclusion vectors for each acceptable model, denoting whether a predictor was present (1) or absent (0). Core predictor variables are defined as occurring in at least 67% of the acceptable models. For this regional analysis, only one model was found acceptable, with higher snow-to-streamflow translation (higher r-squared) occurring in colder mountain basins with higher relative winter precipitation, more snow accumulation and a lower fraction of annual precipitation that falls in the spring and summer. The second component of the data package uses previously published, high-resolution output from an integrated hydrological model of the East River watershed using the U.S. Geological Survey Groundwater and Surface water Flow model (GSFLOW, doi:10.15485/1998576). East River MLR expands upon the approach described above to explore the response of five streamflow metrics—annual streamflow, runoff efficiency, 7-day minimum flow, low-flow duration, and non-perennial stream fraction to snow system indicators including peak SWE, snow-covered area, snow disappearance date, and the fraction of basin area characterized by low-to-no snow, as well as seasonal precipitation and temperature, and annual hydrologic variables representing soil moisture, evapotranspiration (ET), the partitioning of incoming precipitation to evapotranspiration (ET/P), groundwater storage, and groundwater inflow to streams. MLR was done on all water years (P0: 1987-2024) and for each period as determined in the split analysis using pooled regression techniques (P1: 1987-2011 and P2: 2012-2024) to evaluate shifting predictor variable emphasis on streamflow generation. Results indicate that since 2012, peak SWE has lost statistical strength in its prediction of annual streamflow and runoff efficiency, and the indirect influence of spring temperature has emerged as critically important. Low-flow metrics remain largely influenced by soil moisture, vegetation water use and groundwater inflows with summer precipitation becoming a direct influence on minimum summer flow. Together, these data and Python-based analysis tools provide a framework for identifying the key watershed characteristics that control how streamflow responds to snow from year to year. The package also helps quantify uncertainty in statistical models and assess how snow–streamflow relationships vary across regions and over time. This dataset contains comma-separated values files (.csv), text files (.txt), python code files (.py), figure files (.png), and shapefiles (.cpg, .dbf, .prj, .sbn, .sbx, .shp, .xml). Further details on file contents and MLR execution can be found in the readme file and the FLMD files. Work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Data-driven predictions of complex organic mixture permeation in polymer membranes

Membrane-based organic solvent separations are rapidly emerging as a promising class of technologies for enhancing the energy efficiency of existing separation and purification systems. Polymeric membranes have shown promise in the fractionation or splitting of complex mixtures of organic molecules such as crude oil. Determining the separation performance of a polymer membrane when challenged with a complex mixture has thus far occurred in an ad hoc manner, and methods to predict the performance based on mixture composition and polymer chemistry are unavailable. Here, we combine physics-informed machine learning algorithms (ML) and mass transport simulations to create an integrated predictive model for the separation of complex mixtures containing up to 400 components via any arbitrary linear polymer membrane. We experimentally demonstrate the effectiveness of the model by predicting the separation of two crude oils within 6-7% of the measurements. Integration of ML predictors of diffusion and sorption properties of molecules with transport simulators enables for the rapid screening of polymer membranes prior to physical experimentation for the separation of complex liquid mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2012

The Validity Chlorophyll-a Estimation by Sun Induced Fluorescence in Estuarine Waters: An Analysis of Long-term (2003-2011) Water Quality Data from Tampa Bay, Florida (USA)

Satellite observation of phytoplankton concentration or chlorophyll-a is an important characteristic, critically integral to monitoring coastal water quality. However, the optical properties of estuarine and coastal waters are highly variable and complex and pose a great challenge for accurate analysis. Constituents such as suspended solids and dissolved organic matter and the overlapping and uncorrelated absorptions in the blue region of the spectrum renders the blue-green ratio algorithms for estimating chlorophyll-a inaccurate. Measurement of sun-induced chlorophyll fluorescence, on the other hand, which utilizes the near infrared portion of the electromagnetic spectrum, may provide a better estimate of phytoplankton concentrations. While modelling and laboratory studies have illustrated both the utility and limitations of satellite baseline algorithms based on the sun induced chlorophyll fluorescence signal, few have examined the empirical validity of these algorithms using a comprehensive long term in situ data set. In an unprecedented analysis of a long term (2003-2011) in situ monitoring data from Tampa Bay, Florida (USA), we assess the validity of the FLH product from the Moderate Resolution Imaging Spectrometer (MODIS) against chlorophyll ]a and a suite of water quality parameters taken in a variety of conditions throughout a large optically complex estuarine system. A systematic analysis of sampling sites throughout the bay is undertaken to understand how the relationship between FLH and in situ chlorophyll-a responds to varying conditions within the estuary including water depth, distance from shore and structures and eight water quality parameters. From the 39 station for which data was derived, 22 stations showed significant correlations when the FLH product was matched with in situ chlorophyll-alpha data. The correlations (r2) for individual stations within Tampa Bay ranged between 0.67 (n=28, pless than 0.01) and-0.457 (n=12, p=.016), indicating that for some areas within the Bay, FLH can be a good predictor of chlorophyll-alpha concentration and hence a useful tool for the analysis of water quality. Overall, the results show a 106% increase in the validity of chlorophyll -a concentration estimates using FLH over the standard the blue-green OC3M algorithm. This analysis also illustrates that the correlations between FLH and in situ chlorophyll -a measurements increases with increasing water depth and distance of the monitoring sites from both the shore and structures. However, due to confounding factors related to the complexity of the estuarine system, a linear improvement in the FLH to chlorophyll ]a relationship was not clearly noted with increasing depth and distance from shore alone. Correlations of FLH with turbidity, nutrients (total nitrogen and total phosphorous) biological oxygen demand, salinity, sea surface temperature correlated positively with FLH concentrations, while dissolved oxygen and pH showed negative correlations. Principle component analyses are employed to further describe the relationships between the multivariate water quality parameters and the FLH product. The majority of sites with higher and very significant correlations (pless than 0.01) also showed high correlation values for nutrients, turbidity and biological oxygen demand. These sites were on average in greater than seven meters of water and over five kilometers from shore. A thorough understanding of the relationship between the MODIS FLH product and in situ water quality parameters will enhance our understanding of the accuracy MODIS fs global FLH algorithm and assist in optimizing its calibration for use in monitoring the quality of estuarine and coastal waters worldwide.

Moreno-Madrinan, Max Jacobo↗

DOE OSTI2022

ASP (Adaptive Splines for Prediction) [SWR-22-66]

This software package provides functionality to fit piecewise cubic splines to model the relationship between a univariate X (independent variable) and a univariate Y (dependent variable). The output is akin to linear regression but has higher "capacity" in that it can learn more complicated relationships despite leveraging only a single predictor. It thus can learn very reasonable relationships between X and Y with minimal effort. The canonical intended use case is for predicting electric demand (Y) from temperature (X). There can be complicated, non-linear relationships between these two variables, but these can be reasonably approximated by the sum of: 1) an "aggregate" relationship between daily average temperature and daily average demand, and 2) intra-day patterns represented as hourly offsets from the daily average load. The spline functionality is used for learning a robust "aggregate" relationship without the inconvenience of manual feature engineering while still ensuring robust results. The model fitting workhorse is R's built-in smooth.spline. This package provides a suite of options for controlling how smooth.spline fits a spline to the data. In particular, it is designed to return a model with a single critical point (i.e., a single location along the domain/support where the first derivative is zero). This is to ensure that predicted changes in electric demand are always positive as temperatures become more extreme. This helps to prevent overfitting, particularly when the input data has few observations or has significant uncertainty from other sources.

Murphy, Sinnott↗

DOE OSTI2025

Using leaf and stomatal traits to predict biomass production and water use efficiency in Populus

Climate change is reshaping ecosystems, driving plants to adapt through leaf-trait plasticity that reflects strategies for growth and water use. Predicting biomass production and intrinsic water use efficiency (iWUE) remains challenging because of genetic, taxonomic, and environmental variability. Here, we used eastern cottonwood and Populus hybrids as a model system to test whether easily measurable leaf traits can serve as reliable predictors of performance, and whether adding stomatal and biochemical traits improves predictive power. Across two field sites in Mississippi, leaf mass per area (LMA), biomass production, iWUE, leaf area, and foliar nitrogen ( N %) differed significantly among taxa and sites, while other traits were conserved. Factorial analysis of mixed data (FAMD) revealed distinct clustering of taxa and sites, indicating coordinated variation among leaf and stomatal traits. Pairwise correlations highlighted fundamental trade-offs, with biomass positively related to LMA and petiole length but negatively associated with iWUE, N %, and carbon isotopic ratios (δ 13 C). Leaf temperature and leaf angle varied among taxa and were significantly correlated with LMA and petiole length, suggesting mechanisms of heat dissipation and leaf movability that link simple traits to gas exchange and productivity. Weighted multiple linear regression models explained 80%–91% of variation in biomass production and iWUE. Models using only LMA, petiole length, and stomatal metrics performed nearly as well as those incorporating N %, and δ 13 C, with complex traits adding approximately 10% explanatory power. These results demonstrate that simple morphological traits capture integrated functional trade-offs, while complex traits refine predictions. This tiered approach provides an efficient framework for selecting high-yielding, water-efficient genotypes of Populus and other hardwood species, offering practical pathways to enhance carbon uptake and iWUE under climate change.

biomass production↗

NASA NTRS2023

Can Remotely Sensed Snow Disappearance Explain Seasonal Water Supply?

Understanding the relationship between remotely sensed snow disappearance and seasonal water supply may become vital in coming years to supplement limited ground based, in situ measurements of snow in a changing climate. For the period 2001–2019, we investigated the relationship between satellite derived Day of Snow Disappearance (DSD)—the date at which snow has completely disappeared—and the seasonal water supply, i.e., the April—July total streamflow volume, for 15 snow dominated basins across the western U.S. A Monte Carlo framework was applied, using linear regression models to evaluate the predictive skill—defined here as a model’s ability to accurately predict seasonal flow volumes—of varied predictors, including DSD and in situ snow water equivalent (SWE), across a range of spring forecast dates. In all basins there is a statistically significant relationship between mean DSD and seasonal water supply (p ≤ 0.05), with mean DSD explaining roughly half of the variance. Satellite-based model skill improves later in the forecast season, surpassing the skill of in-situ-based (SWE) models in skill in 10 of the 15 basins by the latest forecast date. We found little to no correlation between model error and basin characteristics such as elevation and the ratio of snow water equivalent to total precipitation. Despite a relatively short data record, this exploratory analysis shows promise for improving seasonal water supply prediction, in particular for snow dominated basins lacking in situ observations.

snow remote sensing↗

DOE OSTI2022

Uptake and speciation of trace metal inputs to Wetland Soils from Illinois and South Carolina and Stream Sediments from Tennessee

Metals occur in all ecosystems, although their concentrations vary depending on their natural geologic conditions and surrounding human activities. In addition to metals intrinsically present from the geology of a particular system, metals can enter environmental systems from a wide variety of natural and anthropogenic sources, such as sediment re-suspension, mining operations, industrial processes, agricultural activities, and atmospheric deposition. While metals can be toxic at high concentrations, some metals serve as essential micronutrients for biogeochemical processes. Metal transport and availability in engineered and natural water systems depend on processes of adsorption/desorption, oxidation/reduction, dissolution/precipitation, and ligand complexation. Insights into the speciation of metals and their bioavailability will also help advance understanding of the roles of metals in the biogeochemical cycling of nutrients. We conducted batch experiments under anoxic conditions on soils and sediments collected from three different natural aquatic systems to understand their response to influxes of dissolved Cu, Ni and Zn. While soils and sediments from all sites could strongly bind added trace metals, there were substantial differences in trace metal uptake trends between different sites, especially for Cu. There was no distinct correlation between trace metal uptake and the total organic matter, iron, and sulfur content present in the samples. X-ray absorption spectroscopy indicated that the speciation of the freshly added metals taken up by the solids differs substantially from the speciation of the metals originally present in unamended samples. Cu sulfides dominated speciation at low loadings (1 µmol/g), whereas complexation to thiol groups and formation of metallic Cu governed speciation at high loadings (10 µmol/g). For Ni and Zn, adsorption to mineral surfaces and organic matter governed their speciation in materials from most sites. This study suggests that the background speciation of metals in natural aquatic systems is a poor predictor of the speciation and lability of metals introduced to terrestrial aquatic systems from anthropogenic or natural processes. Our findings imply that geochemical processes controlling trace metal speciation may vary considerably with metal loading in different natural systems. Data are provided for marsh wetland soils at Argonne National Laboratory (Marsh 1 and Marsh 2), riparian wetland soils (Riparian 1 and Riparian 2) in the Tims Branch watershed at Savannah River National Laboratory, and stream bed sediments (Stream 1 and Stream 2) from East Fork Poplar Creek near Oak Ridge National Laboratory. Data package includes the results of trace metal uptake experiments conducted on the selected sites for determining their capacity to immobilize metals under different loadings. XANES spectra for Cu, Ni, ad Zn at different loadings are included in the package. The abundance of different trace metal species obtained using linear combination fitting in ATHENA are also included in the data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Assessing Heterogeneity of Surface Water Temperature Following Stream Restoration and a High-Intensity Fire from Thermal Imagery

Thermal heterogeneity of rivers is essential to support freshwater biodiversity. Salmon behaviorally thermoregulate by moving from patches of warm water to cold water. When implementing river restoration projects, it is essential to monitor changes in temperature and thermal heterogeneity through time to assess the impacts to a river’s thermal regime. Lightweight sensors that record both thermal infrared (TIR) and multispectral data carried via unoccupied aircraft systems (UASs) present an opportunity to monitor temperature variations at high spatial (<0.5 m) and temporal resolution, facilitating the detection of the small patches of varying temperatures salmon require. Here, we present methods to classify and filter visible wetted area, including a novel procedure to measure canopy cover, and extract and correct radiant surface water temperature to evaluate changes in the variability of stream temperature pre- and post-restoration followed by a high-intensity fire in a section of the river corridor of the South Fork McKenzie River, Oregon. We used a simple linear model to correct the TIR data by imaging a water bath where the temperature increased from 9.5 to 33.4 °C. The resulting model reduced the mean absolute error from 1.62 to 0.35 °C. We applied this correction to TIR-measured temperatures of wetted cells classified using NDWI imagery acquired in the field. We found warmer conditions (+2.6 °C) after restoration (p < 0.001) and median absolute deviation for pre-restoration (0.30) to be less than both that of post-restoration (0.85) and post-fire (0.79) orthomosaics. In addition, there was statistically significant evidence to support the hypothesis of shifts in temperature distributions pre- and post-restoration (KS test 2009 vs. 2019, p < 0.001, D = 0.99; KS test 2019 vs. 2021, p < 0.001, D = 0.10). Moreover, we used a Generalized Additive Model (GAM) that included spatial and environmental predictors (i.e., canopy cover calculated from multispectral NDVI and photogrammetrically derived digital elevation model) to model TIR temperature from a transect along the main river channel. This model explained 89% of the deviance, and the predictor variables showed statistical significance. Collectively, our study underscored the potential of a multispectral/TIR sensor to assess thermal heterogeneity in large and complex river systems.

Barker, Matthew I. (ORCID:0000000252864930)↗

NASA NTRS1976

Meteorological adjustment of yearly mean values for air pollutant concentration comparison

Using multiple linear regression analysis, models which estimate mean concentrations of Total Suspended Particulate (TSP), sulfur dioxide, and nitrogen dioxide as a function of several meteorologic variables, two rough economic indicators, and a simple trend in time are studied. Meteorologic data were obtained and do not include inversion heights. The goodness of fit of the estimated models is partially reflected by the squared coefficient of multiple correlation which indicates that, at the various sampling stations, the models accounted for about 23 to 47 percent of the total variance of the observed TSP concentrations. If the resulting model equations are used in place of simple overall means of the observed concentrations, there is about a 20 percent improvement in either: (1) predicting mean concentrations for specified meteorological conditions; or (2) adjusting successive yearly averages to allow for comparisons devoid of meteorological effects. An application to source identification is presented using regression coefficients of wind velocity predictor variables.

Sidik, S. M.↗

NASA NTRS1993

The importance of properties in modeling

Casting and welding of superalloys, stainless steel and titanium alloys are processes which can be improved through modeling of heat flow, fluid flow, residual stress development, and microstructural evolution. These simulations require inputs of thermophysical data, some of which involves the partially or totally liquid state. In particular, these processes involve melting, flow in the liquid, and solidification. Modeling of such processes can lead to an improved understanding of defects such as shrinkage, inclusions, cracks, incomplete filling (or penetration), macrosegregation, improper grain structure, and deviations from dimensional specifications. Effective modeling can shorten process development time and improve quality. An approach to these problems is to develop efficient models; validate through correlations with thermal, distortion, and microstructural data; run parametric studies; extract knowledge based rules; and apply to adaptive closed loop control systems. With the appropriate pre- and post-processing, such analyses can be made 'user friendly'. This would include graphical user interfaces as well as realistic images and color maps. In such form, these models can be used for sensitivity analyses, which are useful in defining appropriate sensors and in the development of control strategies. Such modeling can be done at several levels, e.g., the MARO level, modeling large scale phenomena such as heat and fluid flow or material deformation; the MICRO level, modeling the development of dendrites, grains or precipitates; or at the NANO level, modeling point defects, dislocations, stacking faults, etc. There are many computational issues associated with these simulations, e.g. computational efficiency and accuracy. In addition, there are many materials issues, not the least of which is the availability of accurate high temperature thermophysical data for complex alloys. This would include latent heat of fusion, temperature dependent heat capacity and thermal conductivity (for liquid and solid), viscosity, surface tension, thermal expansion, mechanical properties, etc. Preliminary data is frequently gathered from the literature; however, this is often not available for modern alloys. If additional data are required, measurements can be used; however, these are costly, time consuming and can be erroneous due to a lack of testing standards or impure materials. Microstructural predictors can be extracted from thermal information, e.g. cooling rate and thermal gradient; the prediction of microstructure is dependent on solidus and liquidus temperature, mushy zone permeability, the solidification curve, volume changes, phase transformations, alloying effects (such as surface tension or viscosity), mold/metal reactions, metal/environment reactions, etc. Defect maps may be needed to predict the onset of shrinkage, hot cracking or 'freckling'. Constants may be needed for stress relaxation, dendrite coarsening, vaporization, etc. Visualization was used as a tool to better comprehend complex data sets associated with the analysis of directional solidification (including crystal growth) and welding. Examples include not only isotherms, but also cooling rate, growth rate and thermal gradient. The latter two are not single valued scalars, but rather time and space dependent vector fields. Efficient models were developed for both casting and welding to predict heat flow and the relationship to dendrite and grain growth. These codes include many of the non-linear effects, e.g. radiation, which dominate these processes. The home-built FDM code(s) were designed to be useful not only to the scientist, but also to the process engineer. Special output can be requested to compare directly to experimental data. Visualization procedures were developed to visualize critical results, e.g. fusion zone width at the surface opposite that where the arc is applied ('penetration'). Both elaborate and simplified distortion analyses were carried out. It is clear that extensive mechanical property data are critical in order to accurately predict residual stress patterns. A scheme is currently being developed to integrate these modeling tools into a set of control algorithms; however, the success of this approach is critically dependent on the availability of accurate high temperature thermophysical data.

Giamei, A. F.↗

NASA NTRSDate not supplied

Planning Satellite Swarm Measurements for Climate Models: Comparing Dynamic Constraint Processing and MILP Methods

We present D-SHIELD, a challenging climate science application to plan coordinated measurements (observations) for a constellation of satellites, each containing two different sensors, each with 61 pointing angle options. The L-band and P-band radar sensors collect data fed into a soil moisture model which tracks and predicts soil moisture across 1.67 million Ground Positions (GP). Soil moisture is an important predictor of wildfires, and then a predictor of floods, landslides and debris flow after a fire. Each measurement covers multiple GP due to the sensor footprint. Each GP has a "model error" which represents the uncertainty of the the soil moisture state prediction. Model error changes at different rates for each GP as the time since last observation increases and after significant events like rain. The planner's goal is to select measurements which maximize soil moisture model improvement (reduce model uncertainty). This problem is combinatorically explosive, involving many degrees of freedom for planner choices. Good domain heuristics can find solutions within a reasonable time for our application needs but cannot be proven optimal. In this paper we compare two different planning approaches to this problem: Dynamic Constraint Processing (DCP) and Mixed Integer Linear Programming (MILP). We match inputs and metrics for both DCP and MILP algorithms to enable a direct apples-to-apples comparison. We demonstrate and discuss the trades between DCP flexibility and performance vs. MILP's promise of provable optimality.

Rich Levinson↗

DOE OSTI2021

Deep Learning Estimation of Daily Ground–Level NO 2 Concentrations from Remote Sensing Data

The limited number of nitrogen dioxide (NO 2 ) surface measurements calls for the development of highly accurate approaches to estimating surface NO 2 concentrations. In this study, we leverage a new satellite instrument, the TROPOspheric Monitoring Instrument (TROPOMI), along with other predictor variables, to estimate daily surface NO 2 concentrations over Texas in 2019. We use the deep convolutional neural network (Deep-CNN), an advanced deep learning algorithm, to obtain estimates and achieve a correlation coefficient (R) of 0.91, an index of agreement (IOA) of 0.95, and a mean absolute bias (MAB) of 1.75 ppb in surface NO 2 estimation. Additionally, we leverage a novel approach, SHapley Additive exPlanations (SHAP), to describe how Deep-CNN understands each predictor variable. The SHAP results show that the Deep-CNN model has an advanced understanding of the dataset, revealing that TROPOMI closely captures levels of NO 2 . In addition, we show the superiority of our Deep-CNN model at estimating surface NO 2 over other well-known machine learning and regression models in the field, including the support vector machines (SVM), random forest (RF), and multiple linear regression (MLR). Although SVM and RF show strong capabilities at estimating surface NO 2 concentrations, their accuracy is inferior to that of the Deep-CNN model, ranking second and third in model accuracy in this study. The MLR, however, shows a poor ability at NO 2 estimation and ranks last among all models. Furthermore, testing the impact of sample size on model performance, we also show that, compared to other models, Deep-CNN needs more samples to trigger its strength at surface NO 2 estimation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2024

Summary and Annotated Bibliography of Measurement Error Corrections with Potential Application in Future Quesst Mission Community Noise Studies

This document is motivated by likely needs of the Quesst mission community response tests, which will culminate in data collection and estimation of dose-response regression relationships for consideration by domestic and international aviation regulators. Furthermore, basic research questions evaluating interactions between rates of community annoyance, dose levels, and indicators of the presence of rattle, vibration, and startle hinge on hypothesis testing in the context of regression models. For a variety of reasons, noise doses may be known only imprecisely and may not reflect the actual level experienced by responding subjects. These differences between true dose and estimated dose, be they systematic or random, constitute covariate measurement error. Available statistics literature speaks to the impacts of measurement error on regression models, both in terms of bias in estimated coefficients and predicted values, and in terms of the loss of statistical power for hypothesis testing. Given the particulars of a categorical annoyance response variable and a continuous noise dose predictor variable subject to measurement error during testing, the emphasis of this report is on findings and methods pertinent to generalized linear (and mixed) models likely to be employed during the Quesst mission community tests. We reach the following conclusions: 1. Of four reviewed methods, structural Bayesian measurement error models and simulation extrapolation (SIMEX) may be the most readily applicable to Quesst mission community noise study objectives. 2. If warranted, a linear measurement model can help model systematic sources of measurement error that the classical measurement error does not. 3. For its ready implementation and small additional input requirements, simulation extrapolation may be ideally suited for addressing secondary research questions involving interactions between annoyance, noise dose, and other factors through hypothesis testing. 4. For their flexibility and ability to propagate uncertainty, structural Bayesian hierarchical models have great appeal for mission purposes; some care may be needed in developing appropriate probability models describing actual noise exposure during testing. An annotated bibliography logs additional papers and resources that may be of value to analysts in other projects and disciplines.

Dose-Response Model↗

DOE OSTI2018

Long-term nitrogen dioxide exposure assessment using back-extrapolation of satellite-based land-use regression models for Australia

Highlights: • We assessed how well a year-2006 satellite-based LUR model captures historical NO{sub 2}. • We used three methods to estimate annual mean NO{sub 2} during 1990–2005. • We measured their performance using standard LUR validation techniques. • Back-extrapolated 2006 levels captured up to 76% of spatial variability (90–05). Assessing historical exposure to air pollution in epidemiological studies is often problematic because of limited spatial and temporal measurement coverage. Several methods for modelling historical exposures have been described, including land-use regression (LUR). Satellite-based LUR is a recent technique that seeks to improve predictive ability and spatial coverage of traditional LUR models by using satellite observations of pollutants as inputs to LUR. Few studies have explored its validity for assessing historical exposures, reflecting the absence of historical observations from popular satellite platforms like Aura (launched mid-2004). We investigated whether contemporary satellite-based LUR models for Australia, developed longitudinally for 2006–2011, could capture nitrogen dioxide (NO{sub 2}) concentrations during 1990–2005 at 89 sites around the country. We assessed three methods to back-extrapolate year-2006 NO{sub 2} predictions: (1) ‘do nothing’ (i.e., use the year-2006 estimates directly, for prior years); (2) change the independent variable ‘year’ in our LUR models to match the years of interest (i.e., assume a linear trend prior to year-2006, following national average patterns in 2006–2011), and; (3) adjust year-2006 predictions using selected historical measurements. We evaluated prediction error and bias, and the correlation and absolute agreement of measurements and predictions using R{sup 2} and mean-square error R{sup 2} (MSE-R{sup 2}), respectively. We found that changing the year variable led to best performance; predictions captured between 41% (1991; MSE-R{sup 2} = 31%) and 80% (2003; MSE-R{sup 2} = 78%) of spatial variability in NO{sub 2} in a given year, and 76% (MSE-R{sup 2} = 72%) averaged over 1990–2005. We conclude that simple methods for back-extrapolating prior to year-2006 yield valid historical NO{sub 2} estimates for Australia during 1990–2005. These results suggest that for the time scales considered here, satellite-based LUR has a potential role to play in long-term exposure assessment, even in the absence of historical predictor data.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

A New Machine Learning Based Analysis for Improving Satellite Retrieved Atmospheric Composition Data: OMI SO2 as an Example

Despite recent progress, satellite retrievals of anthropogenic SO2 still suffer from relatively low signal-tonoise ratios. In this study, we demonstrate a new machine learning data analysis method to improve the quality of satellite SO2 products. In the absence of large ground-truth datasets for SO2, we start from SO2 slant column densities (SCDs) retrieved from the Ozone Monitoring Instrument (OMI) using a data-driven, physically based algorithm and calculate the ratio between the SCD and the root mean square (rms) of the fitting residuals for each pixel. To build the training data, we select presumably clean pixels with small SCD / rms ratios (SRRs) and set their target SCDs to zero. For polluted pixels with relatively large SRRs, we set the target to the original retrieved SCDs. We then train neural networks (NNs) to reproduce the target SCDs using predictors including SRRs for individual pixels, solar zenith, viewing zenith and phase angles, scene reflectivity, and O3 column amounts, as well as the monthly mean SRRs. For data analysis, we employ two NNs: (1) one trained daily to produce analyzed SO2 SCDs for polluted pixels each day and (2) the other trained once every month to produce analyzed SCDs for less polluted pixels for the entire month. Test results for 2005 show that our method can significantly reduce noise and artifacts over background regions. Over polluted areas, the monthly mean NN-analyzed and original SCDs generally agree to within ±15 %, indicating that our method can retain SO2 signals in the original retrievals except for large volcanic eruptions. This is further confirmed by running both the NN-analyzed and original SCDs through a topdown emission algorithm to estimate the annual SO2 emissions for ∼ 500 anthropogenic sources, with the two datasets yielding similar results. We also explore two alternative approaches to the NN-based analysis method. In one, we employ a simple linear interpolation model to analyze the original SCD retrievals. In the other, we develop a PCA–NN algorithm that uses OMI measured radiances, transformed and dimension-reduced with a principal component analysis (PCA) technique, as inputs to NNs for SO2 SCD retrievals. While the linear model and the PCA–NN algorithm can reduce retrieval noise, they both underestimate SO2 over polluted areas. Overall, the results presented here demonstrate that our new data analysis method can significantly improve the quality of existing OMI SO2 retrievals. The method can potentially be adapted for other sensors and/or species and enhance the value of satellite data in air quality research and applications.

Can Li↗

NASA NTRS1994

Understanding software faults and their role in software reliability modeling

This study is a direct result of an on-going project to model the reliability of a large real-time control avionics system. In previous modeling efforts with this system, hardware reliability models were applied in modeling the reliability behavior of this system. In an attempt to enhance the performance of the adapted reliability models, certain software attributes were introduced in these models to control for differences between programs and also sequential executions of the same program. As the basic nature of the software attributes that affect software reliability become better understood in the modeling process, this information begins to have important implications on the software development process. A significant problem arises when raw attribute measures are to be used in statistical models as predictors, for example, of measures of software quality. This is because many of the metrics are highly correlated. Consider the two attributes: lines of code, LOC, and number of program statements, Stmts. In this case, it is quite obvious that a program with a high value of LOC probably will also have a relatively high value of Stmts. In the case of low level languages, such as assembly language programs, there might be a one-to-one relationship between the statement count and the lines of code. When there is a complete absence of linear relationship among the metrics, they are said to be orthogonal or uncorrelated. Usually the lack of orthogonality is not serious enough to affect a statistical analysis. However, for the purposes of some statistical analysis such as multiple regression, the software metrics are so strongly interrelated that the regression results may be ambiguous and possibly even misleading. Typically, it is difficult to estimate the unique effects of individual software metrics in the regression equation. The estimated values of the coefficients are very sensitive to slight changes in the data and to the addition or deletion of variables in the regression equation. Since most of the existing metrics have common elements and are linear combinations of these common elements, it seems reasonable to investigate the structure of the underlying common factors or components that make up the raw metrics. The technique we have chosen to use to explore this structure is a procedure called principal components analysis. Principal components analysis is a decomposition technique that may be used to detect and analyze collinearity in software metrics. When confronted with a large number of metrics measuring a single construct, it may be desirable to represent the set by some smaller number of variables that convey all, or most, of the information in the original set. Principal components are linear transformations of a set of random variables that summarize the information contained in the variables. The transformations are chosen so that the first component accounts for the maximal amount of variation of the measures of any possible linear transform; the second component accounts for the maximal amount of residual variation; and so on. The principal components are constructed so that they represent transformed scores on dimensions that are orthogonal. Through the use of principal components analysis, it is possible to have a set of highly related software attributes mapped into a small number of uncorrelated attribute domains. This definitively solves the problem of multi-collinearity in subsequent regression analysis. There are many software metrics in the literature, but principal component analysis reveals that there are few distinct sources of variation, i.e. dimensions, in this set of metrics. It would appear perfectly reasonable to characterize the measurable attributes of a program with a simple function of a small number of orthogonal metrics each of which represents a distinct software attribute domain.

Munson, John C.↗

NASA NTRS1999

"Novel Techniques in Non-Stationary Analysis of Rotorcraft Vibration Signitures"

This research effort produced new methods to analyze the performance of linear predictors that track non-stationary processes. Specifically, prediction methods have been applied to the vibration pattern of rotorcraft drivetrains. This analysis is part or a larger rotorcraft Health and Usage Monitoring System (HUMS) that can diagnose immediate failures of the subsystems, as indicated by abrupt change in the vibration signature, and prognosticate future health, by examining the vibration patterns against long-term trends. This problem is described by a earlier joint paper co-authored by members of the funding agency and the recipient institutions prior to this grant effort. Specific accomplishments under this grant include the following: (1) Definition of a framework for analysis of non-stationary time-series estimation using the coefficients of an adaptive filter. (2) Description of a novel method of combining short-term predictor error and long-term regression error to analyze the performance of a non-stationary predictor. (3) Formulation of a multi-variate probability density function that quantifies the performance of a adaptive predictor by using the short- and long-term error variables in a Gamma function distribution. and (4) Validation of the mathematical formulations with empirical data from NASA flight tests and simulated data to illustrate the utility beyond the domain of vibrating machinery.

Meng, Teresa↗

NASA NTRS2020

The Influence of Frequency and Duration Of Seismic Ground Motion On The Size Of Triggered Landslides—A Regional View

Observation, theory, and intuition all suggest that larger earthquakes should trigger larger landslides. Many factors could contribute to this, including depth-dependent shear strength or non-linearity of ground motion in soils and rock, but we hypothesize that the key characteristics of large earthquakes causing this phenomenon are (in addition to magnitude) the frequency and duration of the strong ground motion. Because of the paucity of site-specific data for detailed analysis, we take a regional approach to this question by analyzing strong-motion records and earthquake-induced landslide (EQIL) inventories from six well-documented earthquakes. Ground motion is characterized using earthquake magnitude and the median durations and frequencies (mean periods) of subsets of strong-motion records relevant to landslide triggering. EQIL inventories are characterized using the median landslide area of the entire inventory as well as the median areas of the largest 1% of the landslides and the largest 10 landslides. We then compare ground-motion characteristics with landslide size statistics to determine possible correlations. Comparisons of all earthquake- and landslide-size statistics show strong positive correlations between landslide size and (1) magnitude, (2) ground-motion duration, and (3) mean period. Although all the ground-motion measures yield highly correlated regressions, mean period appears to be the best overall predictor of landslide size. Landslide modeling using Newmark's sliding-block method also shows that longer mean periods and durations and larger magnitudes correlate strongly with increases in modeled displacements. These results support our hypothesis that increasing period and duration of seismic ground motion are the physical factors driving increased landslide sizes for larger earthquakes. Additional studies including data from a much larger set of earthquakes is needed to confirm the results of this initial study.

Hakan Tanyas↗