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At least 487 records · Page 27

Ensemble Statistical Post-Processing of the National Air Quality Forecast Capability: Enhancing Ozone Forecasts in Baltimore, Maryland

An ensemble statistical post-processor (ESP) is developed for the National Air Quality Forecast Capability (NAQFC) to address the unique challenges of forecasting surface ozone in Baltimore, MD. Air quality and meteorological data were collected from the eight monitors that constitute the Baltimore forecast region. These data were used to build the ESP using a moving-block bootstrap, regression tree models, and extreme-value theory. The ESP was evaluated using a 10-fold cross-validation to avoid evaluation with the same data used in the development process. Results indicate that the ESP is conditionally biased, likely due to slight overfitting while training the regression tree models. When viewed from the perspective of a decision-maker, the ESP provides a wealth of additional information previously not available through the NAQFC alone. The user is provided the freedom to tailor the forecast to the decision at hand by using decision-specific probability thresholds that define a forecast for an ozone exceedance. Taking advantage of the ESP, the user not only receives an increase in value over the NAQFC, but also receives value for An ensemble statistical post-processor (ESP) is developed for the National Air Quality Forecast Capability (NAQFC) to address the unique challenges of forecasting surface ozone in Baltimore, MD. Air quality and meteorological data were collected from the eight monitors that constitute the Baltimore forecast region. These data were used to build the ESP using a moving-block bootstrap, regression tree models, and extreme-value theory. The ESP was evaluated using a 10-fold cross-validation to avoid evaluation with the same data used in the development process. Results indicate that the ESP is conditionally biased, likely due to slight overfitting while training the regression tree models. When viewed from the perspective of a decision-maker, the ESP provides a wealth of additional information previously not available through the NAQFC alone. The user is provided the freedom to tailor the forecast to the decision at hand by using decision-specific probability thresholds that define a forecast for an ozone exceedance. Taking advantage of the ESP, the user not only receives an increase in value over the NAQFC, but also receives value for

ozone↗

Version 8 SBUV Ozone Profile Trends Compared with Trends from a Zonally Averaged Chemical Model

Linear regression trends for the years 1979-2003 were computed using the new Version 8 merged Solar Backscatter Ultraviolet (SBUV) data set of ozone profiles. These trends were compared to trends computed using ozone profiles from the Goddard Space Flight Center (GSFC) zonally averaged coupled model. Observed and modeled annual trends between 50 N and 50 S were a maximum in the higher latitudes of the upper stratosphere, with southern hemisphere (SH) trends greater than northern hemisphere (NH) trends. The observed upper stratospheric maximum annual trend is -5.5 +/- 0.9 % per decade (1 sigma) at 47.5 S and -3.8 +/- 0.5 % per decade at 47.5 N, to be compared with the modeled trends of -4.5 +/- 0.3 % per decade in the SH and -4.0 +/- 0.2% per decade in the NH. Both observed and modeled trends are most negative in winter and least negative in summer, although the modeled seasonal difference is less than observed. Model trends are shown to be greatest in winter due to a repartitioning of chlorine species and the increasing abundance of chlorine with time. The model results show that trend differences can occur depending on whether ozone profiles are in mixing ratio or number density coordinates, and on whether they are recorded on pressure or altitude levels.

Rosenfield, Joan E.↗

The Impact of Atmospheric Dynamics and Anthropogenic Very Short-Lived Chlorine Species on the Recovery of Extra-Polar Ozone

The successful implementation of the Montreal Protocol has led to a decrease in the atmospheric abundance of ozone-depleting substances and a slowing in the destruction of the ozone layer. Previous studies have suggested that atmospheric dynamics, or a rise in compounds not regulated by the Montreal Protocol, such as very short-lived chlorine species (VSL Cl), may lead to a slower than expected recovery of the ozone layer. In this presentation, we examine the expected recovery of total column ozone (TCO) and stratospheric column ozone (SCO) to values observed in 1980 using a novel multiple linear regression (MLR) model that involves a month-by-month regression. The MLR model is trained to TCO anomalies from six data records (SBUV v8.7 MOD, SBUV v8.6 COH, WOUDC, GSG, GTO-ECV, MSR-2) over 1979 to 2021 for the Northern Hemisphere (35N – 60N), the Southern Hemisphere (60S – 35S) and the Tropics (20S – 20N), and SCO anomalies from ML-TOMCAT for these same zonal bands. The MLR includes the effect of halogens (equivalent effective stratospheric chlorine (EESC)), total solar irradiance, stratospheric aerosol optical depth, quasi-biennial oscillation, and the El Niño Southern Oscillation as regressors. We also include the effect of atmospheric dynamics such as the Brewer-Dobson Circulation, Arctic Oscillation, and the Antarctic Oscillation, and VSL Cl species in the formulation of EESC. We use a novel approach to the MLR framework, by separating the observed and regressor time series into the respective months (separating all of the Januarys, Februarys, etc.). Then we conduct a regression for each month from 1979 to 2021 for the three zonal bands denoted above. The model results for each month are combined together to achieve a full monthly time series from 1979 to 2021. We use this novel approach to ascertain the effect of atmospheric dynamics on TCO and SCO, since the dynamical proxies affect ozone in a distinctly different manner for various months. In this presentation, we will quantify the role of both the inclusion of VSL Cl species in the formulation of EESC as well as atmospheric dynamics in explaining the slower than expected recovery of extra-polar TCO and SCO over the past decade.

Laura A. McBride↗

Leveraging design of experiments to build chemometric models for the quantification of uranium (VI) and HNO3 by Raman spectroscopy

Partial least squares regression (PLSR) and support vector regression (SVR) models were optimized for the quantification of U(VI) (10–320 g L −1 ) and HNO 3 (0.6–6 M) by Raman spectroscopy with optimized calibration sets chosen by optimal design of experiments. The designed approach effectively minimized the number of samples in the calibration set for PLSR and SVR by selecting sample concentrations with a quadratic process model, despite complex confounding and covarying spectral features in the spectra. The top PLS2 model resulted in percent root mean square errors of prediction for U(VI), HNO 3 , and NO 3 − of 3.7%, 3.6%, and 2.9%, respectively. PLS1 models performed similarly despite modeling an analyte with a majority linear response (i.e., uranyl symmetric stretch) and another with more covarying vibrational modes (i.e., HNO 3 ). Partial least squares (PLS) model loadings and regression coefficients were evaluated to better understand the relationship between weaker Raman bands and covarying spectral features. Support vector machine models outperformed PLS1 models, resulting in percent root mean square error of prediction values for U(VI) and HNO 3 of 1.5% and 3.1%, respectively. The optimal nonlinear SVR model was trained using a similar number of samples (11) compared with the PLSR model, even though PLS is a linear modeling approach. The generic D-optimal design presented in this work provides a robust statistical framework for selecting training set samples in disparate two-factor systems. This approach reinforces Raman spectroscopy for the quantification of species relevant to the nuclear fuel cycle and provides a robust chemometric modeling approach to bolster online monitoring in challenging process environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of some biased estimation methods (including ordinary subset regression) in the linear model

Ridge, Marquardt's generalized inverse, shrunken, and principal components estimators are discussed in terms of the objectives of point estimation of parameters, estimation of the predictive regression function, and hypothesis testing. It is found that as the normal equations approach singularity, more consideration must be given to estimable functions of the parameters as opposed to estimation of the full parameter vector; that biased estimators all introduce constraints on the parameter space; that adoption of mean squared error as a criterion of goodness should be independent of the degree of singularity; and that ordinary least-squares subset regression is the best overall method.

Sidik, S. M.↗

Lateral-Directional Parameter Estimation on the X-48B Aircraft Using an Abstracted, Multi-Objective Effector Model

The problem of parameter estimation on hybrid-wing-body aircraft is complicated by the fact that many design candidates for such aircraft involve a large number of aerodynamic control effectors that act in coplanar motion. This adds to the complexity already present in the parameter estimation problem for any aircraft with a closed-loop control system. Decorrelation of flight and simulation data must be performed in order to ascertain individual surface derivatives with any sort of mathematical confidence. Non-standard control surface configurations, such as clamshell surfaces and drag-rudder modes, further complicate the modeling task. In this paper, time-decorrelation techniques are applied to a model structure selected through stepwise regression for simulated and flight-generated lateral-directional parameter estimation data. A virtual effector model that uses mathematical abstractions to describe the multi-axis effects of clamshell surfaces is developed and applied. Comparisons are made between time history reconstructions and observed data in order to assess the accuracy of the regression model. The Cram r-Rao lower bounds of the estimated parameters are used to assess the uncertainty of the regression model relative to alternative models. Stepwise regression was found to be a useful technique for lateral-directional model design for hybrid-wing-body aircraft, as suggested by available flight data. Based on the results of this study, linear regression parameter estimation methods using abstracted effectors are expected to perform well for hybrid-wing-body aircraft properly equipped for the task.

Ratnayake, Nalin A.↗

Assessment of a remote sensing-based model for predicting malaria transmission risk in villages of Chiapas, Mexico

A blind test of two remote sensing-based models for predicting adult populations of Anopheles albimanus in villages, an indicator of malaria transmission risk, was conducted in southern Chiapas, Mexico. One model was developed using a discriminant analysis approach, while the other was based on regression analysis. The models were developed in 1992 for an area around Tapachula, Chiapas, using Landsat Thematic Mapper (TM) satellite data and geographic information system functions. Using two remotely sensed landscape elements, the discriminant model was able to successfully distinguish between villages with high and low An. albimanus abundance with an overall accuracy of 90%. To test the predictive capability of the models, multitemporal TM data were used to generate a landscape map of the Huixtla area, northwest of Tapachula, where the models were used to predict risk for 40 villages. The resulting predictions were not disclosed until the end of the test. Independently, An. albimanus abundance data were collected in the 40 randomly selected villages for which the predictions had been made. These data were subsequently used to assess the models' accuracies. The discriminant model accurately predicted 79% of the high-abundance villages and 50% of the low-abundance villages, for an overall accuracy of 70%. The regression model correctly identified seven of the 10 villages with the highest mosquito abundance. This test demonstrated that remote sensing-based models generated for one area can be used successfully in another, comparable area.

Insect Vectors/growth & development↗

Parameter uncertainties for imperfect surrogate models in the low-noise regime

Abstract Bayesian regression determines model parameters by minimizing the expected loss, an upper bound to the true generalization error. However, this loss ignores model form error, or misspecification, meaning parameter uncertainties are significantly underestimated and vanish in the large data limit. As misspecification is the main source of uncertainty for surrogate models of low-noise calculations, such as those arising in atomistic simulation, predictive uncertainties are systematically underestimated. We analyze the true generalization error of misspecified, near-deterministic surrogate models, a regime of broad relevance in science and engineering. We show that posterior parameter distributions must cover every training point to avoid a divergence in the generalization error and design a compatible ansatz which incurs minimal overhead for linear models. The approach is demonstrated on model problems before application to thousand-dimensional datasets in atomistic machine learning. Our efficient misspecification-aware scheme gives accurate prediction and bounding of test errors in terms of parameter uncertainties, allowing this important source of uncertainty to be incorporated in multi-scale computational workflows.

Swinburne, Thomas D. (ORCID:0000000232554257)↗

Time-dependent oral absorption models

The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

Non-NASA Center↗

Peak Oxygen Uptake during and after Long-duration Space Flight

Aerobic capacity (VO2peak) previously has not been measured during or after long-duration spaceflight. PURPOSE: To measure VO2peak and submaximal exercise responses during and after International Space Station (ISS) missions. METHODS: Astronauts (9 M, 5 F: 49 +/- 5 yr, 175 +/- 7 cm, 77.2 +/- 15.1 kg, 40.6 +/- 6.4 mL/kg/min [mean +/-SD]) performed graded peak cycle tests ~90 days before spaceflight, 15 d (FD15) after launch and every ~30 d thereafter during flight, and 1 (R+1), 10 (R+10), and 30 d (R+30) after landing. Oxygen consumption (VO2) and heart rate (HR) were measured from rest to peak exercise, while cardiac output (Q), stroke volume (SV), and arterial-venous oxygen difference (a-vO2diff) were measured only during rest and submaximal exercise. Data were analyzed using mixed-model linear regression. Body mass contributed significantly to statistical models, and thus results are reported as modeled estimates for an average subject. RESULTS: Early inflight (FD15) VO2peak was 17% lower (95% CI = - 22%, -13%) than preflight. VO2peak increased during spaceflight (0.001 L/min/d, P = 0.02) but did not return to preflight levels. On R+1 VO2peak was 15% (95% CI = -19%, -10%) lower than preflight but recovered to within 2% of preflight by R+30 (95% CI = -6%, +3%). Peak HR was not significantly different from preflight at any time. Inflight submaximal VO2 and a-vO2diff were generally lower than preflight, but the Q vs. VO2 slope was unchanged. In contrast, the SV vs. VO2 slope was lower (P < 0.001), primarily due to elevated SV at rest, and the HR vs. VO2 slope was greater (P < 0.001), largely due to elevated HR during more intense exercise. On R+1 although the relationships between VO2 and Q, SV, and HR were not statistically different than preflight, resting and submaximal exercise SV was lower (P < 0.001), resting and submaximal exercise HR was higher (P < 0.002), and a-vO2diff was unchanged. HR and SV returned to preflight levels by R+30. CONCLUSION: In the average astronaut VO2peak was reduced during spaceflight and immediately after landing but factors contributing to lower VO2peak may be different during spaceflight and recovery. Maintaining Q while VO2 is reduced inflight may be suggestive of an elevated blood flow to vascular beds other than exercising muscles, but decreased SV after flight likely reduces Q at peak exertion.

Moore, Alan D., Jr.↗

Modeling Solar Lyman Alpha Irradiance

Solar Lyman alpha irradiance is estimated from various solar indices using linear regression analyses. Models developed with multiple linear regression analysis, including daily values and 81-day running means of solar indices, predict reasonably well both the short- and long-term variations observed in Lyman alpha. It is shown that the full disk equivalent width of the He line at 1083 nm offers the best proxy for Lyman alpha, and that the total irradiance corrected for sunspot effect also has a high correlation with Lyman alpha.

Pap, J.↗

Linear regression in astronomy. II

A wide variety of least-squares linear regression procedures used in observational astronomy, particularly investigations of the cosmic distance scale, are presented and discussed. The classes of linear models considered are (1) unweighted regression lines, with bootstrap and jackknife resampling; (2) regression solutions when measurement error, in one or both variables, dominates the scatter; (3) methods to apply a calibration line to new data; (4) truncated regression models, which apply to flux-limited data sets; and (5) censored regression models, which apply when nondetections are present. For the calibration problem we develop two new procedures: a formula for the intercept offset between two parallel data sets, which propagates slope errors from one regression to the other; and a generalization of the Working-Hotelling confidence bands to nonstandard least-squares lines. They can provide improved error analysis for Faber-Jackson, Tully-Fisher, and similar cosmic distance scale relations.

Feigelson, Eric D.↗

Extinguishment of a Diffusion Flame Over a PMMA Cylinder by Depressurization in Reduced-Gravity

Extinction of a diffusion flame burning over horizontal PMMA (Polymethyl methacrylate) cylinders in low-gravity was examined experimentally and via numerical simulations. Low-gravity conditions were obtained using the NASA Lewis Research Center's reduced-gravity aircraft. The effects of velocity and pressure on the visible flame were examined. The flammability of the burning solid was examined as a function of pressure and the solid-phase centerline temperature. As the solid temperature increased, the extinction pressure decreased, and with a centerline temperature of 525 K, the flame was sustained to 0.1 atmospheres before extinguishing. The numerical simulation iteratively coupled a two-dimensional quasi-steady, gas-phase model with a transient solid-phase model which included conductive heat transfer and surface regression. This model employed an energy balance at the gas/solid interface that included the energy conducted by the gas-phase to the gas/solid interface, Arrhenius pyrolysis kinetics, surface radiation, and the energy conducted into the solid. The ratio of the solid and gas-phase conductive fluxes Phi was a boundary condition for the gas-phase model at the solid-surface. Initial simulations modeled conditions similar to the low-gravity experiments and predicted low-pressure extinction limits consistent with the experimental limits. Other simulations examined the effects of velocity, depressurization rate and Phi on extinction.

Goldmeer, Jeffrey Scott↗

The Influence of Land Use and Land Cover Change on Landslide Susceptibility in the Lower Mekong River Basin

The Lower Mekong River Basin in Southeast Asia experiences frequent rainfall-triggered landslides especially during the monsoon season. In this study, the influence of land use and land cover change and other causative factors on landslide susceptibility is evaluated in the Lower Mekong Basin. Frequency ratio analysis is performed to quantify the relationship between LULC change and susceptibility. Detailed landslide inventory maps are used for analysis with yearly LULC maps. The LULC change is used as a contributing variable in a logistic regression-based susceptibility model with other variables including distance to roads, slope, aspect, forest loss, and soil properties. The Receiver Operating Characteristic (ROC) curve and Area Under the Curve are estimated for the model trained by each landslide inventory. The models show good performance, with AUC values ranging from 0.697 to 0.958 and an average AUC equal to 0.820. Both the Frequency Ratio analysis and the Logistic Regression models indicate LULC change from agricultural land to forest has a positive correlation with landslide occurrence. The most significant factors in the models are found to be distance to roads, slope, and aspect. A better understanding of the effects of LULC on landslide susceptibility can be useful for local land and disaster management and for the implementation of LULC as a factor in future susceptibility models. Using datasets that are unique to the Lower Mekong region, this study provides additional insights into the relationship between causative factors and landslide activity to better inform regional and global landslide susceptibility modeling.

River Basin↗

Geographical Insights into Suicide Mortality Through Spatial Machine Learning

Suicide mortality is a leading cause of death in the United States, with an upward trend that emphasizes its significance as a public health issue. Previous research has employed global models like ordinary least squares (OLS) regression and local models such as geographically weighted regression (GWR). While local models are useful for analyzing spatial variations in suicide mortality, they share limitations with traditional global models, particularly about their inability to handle multi-collinearity and non-linear relationships. Machine learning approaches, like random forests (RF), can address some of these limitations but often fail to account for spatial variability. This gap highlights the need for spatial ML models specifically designed to tackle suicide mortality. This research seeks to fill this void by using a geographically weighted random forest model (GWRF) to examine the associations between county-level suicide mortality in the U.S. from 2010 to 2020 and various social and environmental determinants of health. A key aspect of our methodology is disciplined feature selection, which reduces the pool of explanatory variables by about 90%. This refinement enhances the explanatory power of both global (R2 improved from 0.59 to 0.67) and local (R2 improved from 0.64 to 0.67) RF models while reducing their run times. An analysis of the importance scores for these selected features reveals that the drivers of suicide mortality vary by context. Thus, to effectively address regional disparities and inform targeted public health interventions, a holistic approach that incorporates multiple county-level characteristics is essential.

Lebakula, Viswadeep [ORNL] (ORCID:0000000152935914↗