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Results for “Local regression”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Regressed relations for forced convection heat transfer in a direct injection stratified charge rotary engine

Currently, the heat transfer equation used in the rotary combustion engine (RCE) simulation model is taken from piston engine studies. These relations have been empirically developed by the experimental input coming from piston engines whose geometry differs considerably from that of the RCE. The objective of this work was to derive equations to estimate heat transfer coefficients in the combustion chamber of an RCE. This was accomplished by making detailed temperature and pressure measurements in a direct injection stratified charge (DISC) RCE under a range of conditions. For each specific measurement point, the local gas velocity was assumed equal to the local rotor tip speed. Local physical properties of the fluids were then calculated. Two types of correlation equations were derived and are described in this paper. The first correlation expresses the Nusselt number as a function of the Prandtl number, Reynolds number, and characteristic temperature ratio; the second correlation expresses the forced convection heat transfer coefficient as a function of fluid temperature, pressure and velocity.

Lee, Chi M.↗
NASA NTRS1988

Regressed relations for forced convection heat transfer in a direct injection stratified charge rotary engine

Currently, the heat transfer equation used in the rotary combustion engine (RCE) simulation model is taken from piston engine studies. These relations have been empirically developed by the experimental input coming from piston engines whose geometry differs considerably from that of the RCE. The objective of this work was to derive equations to estimate heat transfer coefficients in the combustion chamber of an RCE. This was accomplished by making detailed temperature and pressure measurements in a direct injection stratified charge (DISC) RCE under a range of conditions. For each specific measurement point, the local gas velocity was assumed equal to the local rotor tip speed. Local physical properties of the fluids were then calculated. Two types of correlation equations were derived and are described in this paper. The first correlation expresses the Nusselt number as a function of the Prandtl number, Reynolds number, and characteristic temperature ratio; the second correlation expresses the forced convection heat transfer coefficient as a function of fluid temperature, pressure and velocity.

Lee, Chi M.↗
NASA NTRS1979

Applied regional monitoring of the vernal advancement and retrogradation (green wave effect) of natural vegetation in the Great Plains corridor

The author has identified the following significant results. Rangelands in southwest Texas were used to establish threshold values and limitations on measuring herbaceous biomass under typical arid and semi-arid range conditions. Previous regression relationships established between ND6 and green biomass for two different ecosystems were similar. The west Texas data set for brush-free sites was too small to be statistically conclusive. It appears that a line with a third (and steeper) slope would be best for the west Texas data, and that line would intersect the other two. Results show that similar relationships exist between ND6 and green biomass under low brush canopy cover conditions, but local variations require a calibration to determine the best fit for an ecosystem. The brush canopy has a detrimental effect on the ND6 vs. herbaceous green biomass relationship.

Harlan, J. C.↗
NASA NTRSDate not supplied

Mitigating the Impacts of Measurement Error in the Quesst Mission Community Noise Study

Beginning in 2025, the NASA Quesst mission will conduct a series of community response tests involving flyovers of the X-59 aircraft at select localities across the United States. Several waves of a longitudinal survey will be administered over approximately one month of testing in order to capture perceptual responses to low-amplitude sonic booms, or “sonic thumps”. Simultaneously, noise exposure levels will be estimated by fusing model-based predictions with measurements taken from a sparse network of monitors in the region. As one of the aims of the study is to produce a dose-response curve, a regression model relating perceptual response to noise exposure levels, it is important to acknowledge the potential attenuation bias that results from measurement error in the estimated noise exposure levels. In this presentation we review and compare several methods for dealing with measurement error in generalized linear mixed models. The methods are demonstrated on simulated data and real data collected during past NASA risk reduction studies.

measurement error↗
DOE OSTI2020

Augmenting machine learning of energy landscapes with local structural information

We present a machine learning approach for accurately predicting formation energies of binary compounds in the context of crystal structure predictions. The success of any machine learning model depends significantly on the choice of representation used to encode the relevant physical information into machine-learnable data. We test different representation schemes based on partial radial and angular distribution functions (RDF+ADF) on Al–Ni and Cd–Te structures generated using our genetic algorithm for structure prediction. We observe a remarkable improvement in predictive accuracy upon transitioning from global to atom-centered representations, resulting in a threefold decrease in prediction errors. We show that a support vector regression model using a combination of atomic radial and angular distribution functions performs best at the formation energy prediction task, providing small root mean squared errors of 3.9 meV/atom and 10.9 meV/atom for Al–Ni and Cd–Te, respectively. We test the performance of our models against common traditional descriptors and find that RDF- and ADF-based representations significantly outperform many of those in the prediction of formation energies. The high accuracy of predictions makes our machine learning models great candidates for the exploration of energy landscapes.

Honrao, Shreyas J. (ORCID:0000000166155257)↗
DOE OSTI2024

Robust Machine Learning Inference from X-ray Absorption Near Edge Spectra through Featurization

X-ray absorption spectroscopy (XAS) is a commonly employed technique for characterizing functional materials. In particular, X-ray absorption near edge spectra (XANES) encode local coordination and electronic information, and machine learning approaches to extract this information are of significant interest. To date, most ML approaches for XANES have primarily focused on using the raw spectral intensities as input, overlooking the potential benefits of incorporating spectral transformations and dimensionality reduction techniques into ML predictions. Here, in this work, we focused on systematically comparing the impact of different featurization methods on the performance of ML models for XAS analysis. We evaluated the classification and regression capabilities of these models on computed data sets and validated their performance on previously unseen experimental data sets. Our analysis revealed an intriguing discovery: the cumulative distribution function feature achieves both high prediction accuracy and exceptional transferability. This remarkably robust performance can be attributed to its tolerance to horizontal shifts in the spectra, which is crucial when validating models using experimental data. While this work exclusively focuses on XANES analysis, we anticipate that the methodology presented here will hold promise as a versatile asset to the broader spectroscopy community.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intra-hour Solar Irradiance Forecast in Multiple Locations using Deep Transfer Learning

In recent years, solar power system installation imposes several challenges on the operations of local and regional power grids due to the inherent variability of ground-level solar irradiance. This work proposes a novel real-time solar forecast methodology for intra-hour solar irradiance based on deep transfer learning from ground-based sky imager for time horizons ranging from 5-15 min. There are three unique aspects of the proposed methodology: (1) a Deep Learning based algorithm development which is modeled as a classification approach rather than a traditional regression approach; (2) the use of the Transfer Learning technique to show generalization capability, robustness, and portability of baseline model in the newly deployed location where availability of enough data for training is typically scarce, and (3) redefinition of point-based irradiation forecast error estimation technique with a window-based one that is more intuitive and user-friendly. The system is developed using multiple years of irradiance and sky image recording in New Jersey and one-year data from Colorado, USA. The method is validated against ground telemetry from these two locations of diverse geographic and climatic conditions. Results show that the forecasting method proposed in this work is robust and highly accurate (8% MAPE error) for multiple locations deployment.

Deep Learning, Convolution Neural Networks, transf↗
DOE OSTI2021

Statistical upscaling of ecosystem CO 2 fluxes across the terrestrial tundra and boreal domain: Regional patterns and uncertainties

Abstract The regional variability in tundra and boreal carbon dioxide (CO 2 ) fluxes can be high, complicating efforts to quantify sink‐source patterns across the entire region. Statistical models are increasingly used to predict (i.e., upscale) CO 2 fluxes across large spatial domains, but the reliability of different modeling techniques, each with different specifications and assumptions, has not been assessed in detail. Here, we compile eddy covariance and chamber measurements of annual and growing season CO 2 fluxes of gross primary productivity (GPP), ecosystem respiration (ER), and net ecosystem exchange (NEE) during 1990–2015 from 148 terrestrial high‐latitude (i.e., tundra and boreal) sites to analyze the spatial patterns and drivers of CO 2 fluxes and test the accuracy and uncertainty of different statistical models. CO 2 fluxes were upscaled at relatively high spatial resolution (1 km 2 ) across the high‐latitude region using five commonly used statistical models and their ensemble, that is, the median of all five models, using climatic, vegetation, and soil predictors. We found the performance of machine learning and ensemble predictions to outperform traditional regression methods. We also found the predictive performance of NEE‐focused models to be low, relative to models predicting GPP and ER. Our data compilation and ensemble predictions showed that CO 2 sink strength was larger in the boreal biome (observed and predicted average annual NEE −46 and −29 g C m −2 yr −1 , respectively) compared to tundra (average annual NEE +10 and −2 g C m −2 yr −1 ). This pattern was associated with large spatial variability, reflecting local heterogeneity in soil organic carbon stocks, climate, and vegetation productivity. The terrestrial ecosystem CO 2 budget, estimated using the annual NEE ensemble prediction, suggests the high‐latitude region was on average an annual CO 2 sink during 1990–2015, although uncertainty remains high.

Virkkala, Anna‐Maria↗
NASA NTRS2012

Upper-Ocean Heat Balance Processes and the Walker Circulation in CMIP5 Model Projections

Considerable uncertainty remains as to the importance of mechanisms governing decadal and longer variability of the Walker Circulation, its connection to the tropical climate system, and prospects for tropical climate change in the face of anthropogenic forcing. Most contemporary climate models suggest that in response to elevated CO2 and a warmer but more stratified atmosphere, the required upward mass flux in tropical convection will diminish along with the Walker component of the tropical mean circulation as well. Alternatively, there is also evidence to suggest that the shoaling and increased vertical stratification of the thermocline in the eastern Pacific will enable a muted SST increase there-- preserving or even enhancing some of the dynamical forcing for the Walker cell flow. Over the past decade there have been observational indications of an acceleration in near-surface easterlies, a strengthened Pacific zonal SST gradient, and globally-teleconnected dislocations in precipitation. But is this evidence in support of an ocean dynamical thermostat process posited to accompany anthropogenic forcing, or just residual decadal fluctuations associated with variations in warm and cold ENSO events and other stochastic forcing? From a modeling perspective we try to make headway on this question by examining zonal variations in surface energy fluxes and dynamics governing tropical upper ocean heat content evolution in the WCRP CMIP5 model projections. There is some diversity among model simulations; for example, the CCSM4 indicates net ocean warming over the IndoPacific region while the CSIRO model concentrates separate warming responses over the central Pacific and Indian Ocean regions. The models, as with observations, demonstrate strong local coupling between variations in column water vapor, downward surface longwave radiation and SST; but the spatial patterns of changes in the sign of this relationship differ among models and, for models as a whole, with observations. Our analysis focuses initially on probing the inter-model differences in energy fluxes / transports and Walker Circulation response to forcing. We then attempt to identify statistically the El Nino- / La Nina-related ocean heat content variability unique to each model and regress out the associated energy flux, ocean heat transport and Walker response on these shorter time scales for comparison to that of the anthropogenic signals.

Robertson, F. R.↗
DOE OSTI2022

In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach

In this work, a dataset of more than 200 nitroaromatic compounds is used to develop Quantitative Structure–Activity Relationship (QSAR) models for the estimation of in vivo toxicity based on 50% lethal dose to rats (LD 50 ). An initial set of 4885 molecular descriptors was generated and applied to build Support Vector Regression (SVR) models. The best two SVR models, SVR_A and SVR_B, were selected to build an Ensemble Model by means of Multiple Linear Regression (MLR). The obtained Ensemble Model showed improved performance over the base SVR models in the training set (R 2 = 0.88), validation set (R 2 = 0.95), and true external test set (R 2 = 0.92). The models were also internally validated by 5-fold cross-validation and Y-scrambling experiments, showing that the models have high levels of goodness-of-fit, robustness and predictivity. The contribution of descriptors to the toxicity in the models was assessed using the Accumulated Local Effect (ALE) technique. The proposed approach provides an important tool to assess toxicity of nitroaromatic compounds, based on the ensemble QSAR model and the structural relationship to toxicity by analyzed contribution of the involved descriptors.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

[Space Weather Impact on the Electricity Market]

Forbes & St. Cyr (2004, hereafter "FISC") have provided evidence that the electricity market can be impacted by space weather. Our analysis indicated that the estimated market impact for PJM was 3.7 % or approximately $500 million dollars over the 19 month sample period. Kappenman has taken exception to this estimate and contends that we have exaggerated the magnitude of the problem that space weather poses to PJM. There are four specific issues: (1) he claims that we have ignored relevant literature; (2) he asserts that Dst is not an appropriate proxy for GICs in PJM; (3) he charges that our findings are inconsistent with the impact of the 17 September 2000 storm; and (4) he alleges that our discussion of October 2003 storms is misleading. In our article, we have explained our methodology, multivariate regression analysis, with a particular focus on how it compares to correlation analysis. We have also explained the limitations of our analysis. We noted that "...While the Dstlprice relationship was found to be robust, the precise estimate should be treated with a relatively high degree of caution given that econometric modeling is not an exact science as well as the fact that the measure of space weather may be a poor proxy for GICs" (paragraph 96). We have also noted that additional research using local magnetometer data are needed (paragraph 97). We did not claim that that our findings for PJM are representative of the impact of space weather on other power grids. On the contrary, we noted that ... "Only analysis of other power grids will tell. " (paragraph 97). Kappenman inaccurately asserts that we have indicated that our findings . . . "imply much higher total costs are likely across the US and elsewhere in the world." He also inaccurately asserts that we have claimed that " . . . Dst is the most suited proxy for GIC in the PJM grid.. ." Moreover, he inaccurately refers to our analysis as a correlation study that uses Dst as quasi-binary indicator.

SaintCyr, O. Chris↗
NASA NTRS2014

Environmental and Socio-Demographic Determinants of Dengue Fever in Colombo City, Sri Lanka

Dengue fever has increased exponentially in Sri Lanka, from 24.4 cases per 100,000 in 2003 to 165.3 per 100,000 population in 2013. Although early warning systems using predictor models have been previously developed in other settings, it is important to develop such models in each local setting. Further, the ability of these models to be applicable at smaller geographic units will enhance current vector control and disease surveillance measures. The aim of this paper was to identify environmental and socio-economic status (SES) risk factors that may predict dengue fever at the Gram Niladhari Divisions (GND) level (smallest administrative unit) in Colombo city, Sri Lanka. These factors included landcover classes, amount of vegetation, population density, water access and neighborhood SES as determined by roof type. A geographically weighted regression (GWR) was used to develop the prediction model. A total 55 GND units covering an area of 37 sq km were investigated. We found that GND units with decreased vegetation, higher built-up area, higher population density and poor access to tap-water supply were associated with high risk of dengue; the pertinent GND units were concentrated in the center of the city. This is the first study in Sri Lanka to include both environmental and socio-demographic factors in prediction models for dengue fever. The methodology may be useful in enhancing ongoing dengue fever control measures in the country, and to be extended to other countries in the region that have an increasing incidence of dengue fever.

Tipre, Meghan↗
DOE OSTI2022

Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning

This study extends the accurate and transferable molecular-orbital-based machine learning (MOB-ML) approach to modeling the contribution of electron correlation to dipole moments at the cost of Hartree–Fock computations. A MOB pairwise decomposition of the correlation part of the dipole moment is applied, and these pair dipole moments could be further regressed as a universal function of MOs. The dipole MOB features consist of the energy MOB features and their responses to electric fields. An interpretable and rotationally equivariant derivative kernel for Gaussian process regression (GPR) is introduced to learn the dipole moment more efficiently. The proposed problem setup, feature design, and ML algorithm are shown to provide highly accurate models for both dipole moments and energies on water and 14 small molecules. To demonstrate the ability of MOB-ML to function as generalized density-matrix functionals for molecular dipole moments and energies of organic molecules, we further apply the proposed MOB-ML approach to train and test the molecules from the QM9 dataset. The application of local scalable GPR with Gaussian mixture model unsupervised clustering GPR scales up MOB-ML to a large-data regime while retaining the prediction accuracy. In addition, compared with the literature results, MOB-ML provides the best test mean absolute errors of 4.21 mD and 0.045 kcal/mol for dipole moment and energy models, respectively, when training on 110 000 QM9 molecules. The excellent transferability of the resulting QM9 models is also illustrated by the accurate predictions for four different series of peptides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Data-driven search for promising intercalating ions and layered materials for metal-ion batteries

The rise in demand for lithium-ion batteries has led to a large-scale search for electrode materials and intercalating ion species to meet the demands of next-generation energy technologies. Recent efforts largely focus on searching for cathodes that can accommodate large amounts of intercalating ions, but similar work on anodes is relatively limited. This study utilizes machine learning methods to find alternative two-dimensional (2D) materials and intercalating ions beyond Li for metal-ion batteries with high-power efficiencies. The approach first uses density functional theory (DFT) calculations to estimate the theoretical capacities and voltages of various metal ions on 2D materials. The DFT-generated data also provide insights into the local structural accommodation upon ion intercalation on various 2D materials. Significant changes to the lattice can result in irreversible changes to the bonding environments in the anode material, resulting in poor cycling stability. Next, this study develops a binding energy and structural accommodation-based classification model to screen anode materials for next-generation batteries. The classification model selects intercalating ions and 2D material pairs suitable for batteries based on the calculated voltage and volumetric changes in the 2D material upon intercalation. Finally, this study builds a regression model to accurately predict the binding energies of the various intercalating ions on 2D materials. The approach highlights the importance of different elemental and structural features for classification and regression tasks. In conclusion, the insights gained from this study on the role of involved features, such as electronegativities of the constituent ions and the presence of unfilled electronic levels, will help to streamline further studies towards the search for future layered battery materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Machine Learning Surrogates of a Fuel Matrix Degradation Process Model for Performance Assessment of a Nuclear Waste Repository

Spent nuclear fuel repository simulations are currently not able to incorporate detailed fuel matrix degradation (FMD) process models due to their computational cost, especially when large numbers of waste packages breach. The current paper uses machine learning to develop artificial neural network and k-nearest neighbor regression surrogate models that approximate the detailed FMD process model while being computationally much faster to evaluate. Further, using fuel cask temperature, dose rate, and the environmental concentrations of CO 3 2- , O 2 , Fe 2+ , and H 2 as inputs, these surrogates show good agreement with the FMD process model predictions of the UO 2 degradation rate for conditions within the range of the training data. A demonstration in a full-scale shale repository reference case simulation shows that the incorporation of the surrogate models captures local and temporal environmental effects on fuel degradation rates while retaining good computational efficiency.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Disproportionate impacts of COVID-19 in a large US city

COVID-19 has disproportionately impacted individuals depending on where they live and work, and based on their race, ethnicity, and socioeconomic status. Studies have documented catastrophic disparities at critical points throughout the pandemic, but have not yet systematically tracked their severity through time. Using anonymized hospitalization data from March 11, 2020 to June 1, 2021 and fine-grain infection hospitalization rates, we estimate the time-varying burden of COVID-19 by age group and ZIP code in Austin, Texas. During this 15-month period, we estimate an overall 23.7% (95% CrI: 22.5–24.8%) infection rate and 29.4% (95% CrI: 28.0–31.0%) case reporting rate. Individuals over 65 were less likely to be infected than younger age groups (11.2% [95% CrI: 10.3–12.0%] vs 25.1% [95% CrI: 23.7–26.4%]), but more likely to be hospitalized (1,965 per 100,000 vs 376 per 100,000) and have their infections reported (53% [95% CrI: 49–57%] vs 28% [95% CrI: 27–30%]). We used a mixed effect poisson regression model to estimate disparities in infection and reporting rates as a function of social vulnerability. We compared ZIP codes ranking in the 75th percentile of vulnerability to those in the 25th percentile, and found that the more vulnerable communities had 2.5 (95% CrI: 2.0–3.0) times the infection rate and only 70% (95% CrI: 60%-82%) the reporting rate compared to the less vulnerable communities. Inequality persisted but declined significantly over the 15-month study period. Our results suggest that further public health efforts are needed to mitigate local COVID-19 disparities and that the CDC’s social vulnerability index may serve as a reliable predictor of risk on a local scale when surveillance data are limited.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2013

Re-Greening Sahel: 30 Years of Remote Sensing Data and Field Observations (Mali, Niger)

Desertification of the Sahel region has been debated for decades, while the concept of a "re-greening" Sahel appeared with satellite remote sensing data that allowed vegetation monitoring across wide regions and over increasingly long series of years (nowadays 30 years with the GIMMS-3g dataset). However, the scarcity of long-term field observations of vegetation in the Sahel prevents ground validation and deeper analysis of such trends. After assessing the consistency of the new GIMMS-3g NDVI product by comparison to three other AVHRR-NDVI datasets and MODIS NDVI, regional GIMMS-3g NDVI trends over 1981-2011 are analyzed. Trends are found positive and statistically significant almost everywhere in Sahel over the 1981-2011 period. Long-term field observations of the aboveground herbaceous layer mass have been collected within the Gourma region in Mali (1984-2011) and within the Fakara region in western Niger (1994-2011). These observations sample ecosystem and soil diversity, thus enabling estimation of averaged values representative of the Gourma and Fakara. NDVI measurements are found in good agreement with field observations, both over the Gourma and Fakara regions where re-greening and negative trends are observed respectively. A linear regression analysis performed between spatially averaged seasonal NDVI and a weighted average of field measurements explains 59% of the variability for the Gourma region over 1984-2011, and 38% for the Fakara region over 1994-2011. In the Gourma, which is a pastoral region, the re-greening trend is mainly observed over sandy soils, and attests for the ecosystem's resilience to the 1980s' drought, able to react to the more favorable rainfall of the 1990s and 2000s. However, contrasted changes in the landscape's functioning have occurred locally. An increase in erosion and run-off processes in association with decreasing or stable vegetation cover was observed over shallow soils, which occupy 30% of the area. In the agro-pastoral Fakara, the decreasing trends observed both from satellite NDVI and field assessments of herbaceous mass are hardly explained by rainfall. These results give confidence in the dominant positive trends in Sahelian greenness, but indicate that degradation trends can also be observed, both in situ and from satellite time series.

Sahel↗
DOE OSTI2024

Machine learning without a processor: Emergent learning in a nonlinear analog network

Standard deep learning algorithms require differentiating large nonlinear networks, a process that is slow and power-hungry. Electronic contrastive local learning networks (CLLNs) offer potentially fast, efficient, and fault-tolerant hardware for analog machine learning, but existing implementations are linear, severely limiting their capabilities. These systems differ significantly from artificial neural networks as well as the brain, so the feasibility and utility of incorporating nonlinear elements have not been explored. Here, we introduce a nonlinear CLLN—an analog electronic network made of self-adjusting nonlinear resistive elements based on transistors. We demonstrate that the system learns tasks unachievable in linear systems, including XOR (exclusive or) and nonlinear regression, without a computer. We find our decentralized system reduces modes of training error in order (mean, slope, curvature), similar to spectral bias in artificial neural networks. The circuitry is robust to damage, retrainable in seconds, and performs learned tasks in microseconds while dissipating only picojoules of energy across each transistor. This suggests enormous potential for fast, low-power computing in edge systems like sensors, robotic controllers, and medical devices, as well as manufacturability at scale for performing and studying emergent learning.

Science & Technology - Other Topics↗