SEARCH · Engineering Papers

Results for “validation dataset”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 937 records · Page 52

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Finding predictive models for singlet fission by machine learning

Singlet fission (SF), the conversion of one singlet exciton into two triplet excitons, could significantly enhance solar cell efficiency. Molecular crystals that undergo SF are scarce. Computational exploration may accelerate the discovery of SF materials. However, many-body perturbation theory (MBPT) calculations of the excitonic properties of molecular crystals are impractical for large-scale materials screening. We use the sure-independence-screening-and-sparsifying-operator (SISSO) machine-learning algorithm to generate computationally efficient models that can predict the MBPT thermodynamic driving force for SF for a dataset of 101 polycyclic aromatic hydrocarbons (PAH101). SISSO generates models by iteratively combining physical primary features. The best models are selected by linear regression with cross-validation. The SISSO models successfully predict the SF driving force with errors below 0.2 eV. Based on the cost, accuracy, and classification performance of SISSO models, we propose a hierarchical materials screening workflow. Three potential SF candidates are found in the PAH101 set.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Enhancing synchrotron radiation micro-CT images using deep learning: an application of Noise2Inverse on bone imaging

In bone-imaging research, in situ synchrotron radiation micro-computed tomography (SRµCT) mechanical tests are used to investigate the mechanical properties of bone in relation to its microstructure. Low-dose computed tomography (CT) is used to preserve bone's mechanical properties from radiation damage, though it increases noise. To reduce this noise, the self-supervised deep learning method Noise2Inverse was used on low-dose SRµCT images where segmentation using traditional thresholding techniques was not possible. Simulated-dose datasets were created by sampling projection data at full, one-half, one-third, one-fourth and one-sixth frequencies of an in situ SRµCT mechanical test. After convolutional neural networks were trained, Noise2Inverse performance on all dose simulations was assessed visually and by analyzing bone microstructural features. Visually, high image quality was recovered for each simulated dose. Lacunae volume, lacunae aspect ratio and mineralization distributions shifted slightly in full, one-half and one-third dose network results, but were distorted in one-fourth and one-sixth dose network results. Following this, new models were trained using a larger dataset to determine differences between full dose and one-third dose simulations. Significant changes were found for all parameters of bone microstructure, indicating that a separate validation scan may be necessary to apply this technique for microstructure quantification. Noise present during data acquisition from the testing setup was determined to be the primary source of concern for Noise2Inverse viability. While these limitations exist, incorporating dose calculations and optimal imaging parameters enables self-supervised deep learning methods such as Noise2Inverse to be integrated into existing experiments to decrease radiation dose.

Obata, Yoshihiro (ORCID:0000000303659129)↗

DOE OSTI2025

Federated Learning for Efficient Condition Monitoring and Anomaly Detection in Industrial Cyber-Physical Systems

Detecting and localizing anomalies in cyber-physical systems (CPS) has become increasingly challenging as systems grow in complexity, particularly due to varying sensor reliability and node failures in distributed environments. While federated learning (FL) offers a foundation for distributed model training, existing approaches lack mechanisms to handle these CPS-specific challenges. This paper presents an enhanced FL framework that introduces three key innovations: adaptive model aggregation based on sensor reliability, dynamic node selection for resource optimization, and Weibull-based checkpointing for fault tolerance. Our framework enables reliable condition monitoring while addressing the computational and reliability challenges of industrial CPS deployments. Experiments on NASA Bearing and Hydraulic System Datasets demonstrate superior performance over state-of-the-art FL methods, achieving 99.5% AUC-ROC in anomaly detection and maintaining accuracy under node failures. Statistical validation using Mann-Whitney (U) test confirms significant improvements (p < 0.05) in both detection accuracy and computational efficiency across diverse operational scenarios.1

Marfo, William [University of Texas at El Paso,Dep↗

DOE OSTI2024

Lineage frequency time series reveal elevated levels of genetic drift in SARS-CoV-2 transmission in England

Genetic drift in infectious disease transmission results from randomness of transmission and host recovery or death. The strength of genetic drift for SARS-CoV-2 transmission is expected to be high due to high levels of superspreading, and this is expected to substantially impact disease epidemiology and evolution. However, we don’t yet have an understanding of how genetic drift changes over time or across locations. Furthermore, noise that results from data collection can potentially confound estimates of genetic drift. To address this challenge, we develop and validate a method to jointly infer genetic drift and measurement noise from time-series lineage frequency data. Our method is highly scalable to increasingly large genomic datasets, which overcomes a limitation in commonly used phylogenetic methods. We apply this method to over 490,000 SARS-CoV-2 genomic sequences from England collected between March 2020 and December 2021 by the COVID-19 Genomics UK (COG-UK) consortium and separately infer the strength of genetic drift for pre-B.1.177, B.1.177, Alpha, and Delta. We find that even after correcting for measurement noise, the strength of genetic drift is consistently, throughout time, higher than that expected from the observed number of COVID-19 positive individuals in England by 1 to 3 orders of magnitude, which cannot be explained by literature values of superspreading. Our estimates of genetic drift suggest low and time-varying establishment probabilities for new mutations, inform the parametrization of SARS-CoV-2 evolutionary models, and motivate future studies of the potential mechanisms for increased stochasticity in this system.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Building Model Calibration: Validation of GridLAB-D Thermal Dynamics Modeling

This report investigates how well GridLAB-D’s house model characterizes the thermal dynamics of buildings given the overpredicted diurnal electric load swing observed in the Distribution System Operation with Transactive (DSO+T) study. This study seeks to validate GridLAB-D’s house model by calibrating it to data from the well-instrumented Pacific Northwest National Laboratory Lab Homes in Richland, WA. The datasets chosen included multiple pre-cooling and pre-heating testing periods where the indoor air temperature was allowed to float over a multi-hour length of time to mimic diurnal behavior. The multi-season calibrations were evaluated by comparing the heating/cooling electric power, indoor air temperature, and the rise/decay time during temperature float periods with Lab Homes data. The default GridLAB-D assumptions for latent load fraction, air heat capacity, mass heat capacity, window-to-wall-ratio, overall envelope conductance (assumed as NORMAL thermal integrity level), and solar heat gain coefficient were compared with the calibrated model to confirm when the default assumptions were adequate and the impact of calibration on the accuracy of modeling the thermal dynamics of homes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

A Methodology for Measuring Blade Clearance on an Operating Utility-Scale Wind Turbine

This report describes the deployment of eleven laser sensors to measure the clearance between blades and tower in a 1.5-MW wind turbine whose rotor was mounted first in upwind and then in downwind configurations. The experimental recordings are compared to the numerical predictions generated by an aeroservoelastic model of the turbine. Good agreement is found between the two datasets, although discrepancies up to 30~cm are observed. The sources of this error are discussed. This methodology is found to be a valuable resource for the validation of the numerical predictions of the flapwise deflections of wind turbine blades. The accurate prediction of these deflections is increasingly important as wind turbines grow in size and become increasingly flexible.

17 WIND ENERGY↗

DOE OSTI2024

Long-Term Dynamics of Atmospheric Sulfur Dioxide in Urban and Rural Regions of China: Urbanization and Policy Impacts

High levels of sulfur dioxide (SO 2 ) due to human activities pose a serious air pollution issue in China, especially in urban agglomerations. However, limited research has investigated the impact of anthropogenic emissions on higher SO 2 concentrations in urban regions compared to rural areas in China. Here, we analyzed the trends in SO 2 concentrations from 1980 to 2021 in China using the Modern-Era Retrospective Analysis for Research and Applications, version 2 (MERRA-2) dataset. SO 2 column concentrations from the Copernicus Atmosphere Monitoring Service (CAMS) and the Ozone Monitoring Instrument (OMI) during the years 2007–2021 were also examined for validation and comparison purposes. Eight representative areas, including four urban regions (Pearl River Delta [PRD], Beijing-Tianjin-Hebei [BTH], Yangtze River Delta [YRD], and Sichuan Basin [SCB]) and four rural regions (Northeast Region [NER], Mongolian Region [MR], West Region [WR], and Tibetan Plateau Region [TR]) were selected for the analysis. Overall, a significant but fluctuating increase in SO 2 concentrations over China was observed during 1980–2021. During 1980–1997 and 2000–2010, there was an increase in SO 2 concentration, while during 1997–2000 and 2010–2021, a decreasing trend was observed. The average increase in SO 2 concentration was approximately 16 times higher in urban regions than in the rural background. We also found that SO 2 dynamics were highly associated with expansion of urban areas, population density, and gross domestic product. Nonetheless, since 2007, SO 2 concentrations have exhibited a downward trend, which is mainly attributed to the air pollution policies implemented by the Chinese government. Our findings highlight the need for further studies on the impact of SO 2 on regional climate change in China.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

BAWLD-CH 4 : a comprehensive dataset of methane fluxes from boreal and arctic ecosystems

Methane (CH 4 ) emissions from the boreal and arctic region are globally significant and highly sensitive to climate change. There is currently a wide range in estimates of high-latitude annual CH 4 fluxes, where estimates based on land cover inventories and empirical CH 4 flux data or process models (bottom-up approaches) generally are greater than atmospheric inversions (top-down approaches). A limitation of bottom-up approaches has been the lack of harmonization between inventories of site-level CH 4 flux data and the land cover classes present in high-latitude spatial datasets. Here we present a comprehensive dataset of small-scale, surface CH 4 flux data from 540 terrestrial sites (wetland and non-wetland) and 1247 aquatic sites (lakes and ponds), compiled from 189 studies. The Boreal–Arctic Wetland and Lake Methane Dataset (BAWLD-CH 4 ) was constructed in parallel with a compatible land cover dataset, sharing the same land cover classes to enable refined bottom-up assessments. BAWLD-CH 4 includes information on site-level CH 4 fluxes but also on study design (measurement method, timing, and frequency) and site characteristics (vegetation, climate, hydrology, soil, and sediment types, permafrost conditions, lake size and depth, and our determination of land cover class). The different land cover classes had distinct CH 4 fluxes, resulting from definitions that were either based on or co-varied with key environmental controls. Fluxes of CH 4 from terrestrial ecosystems were primarily influenced by water table position, soil temperature, and vegetation composition, while CH 4 fluxes from aquatic ecosystems were primarily influenced by water temperature, lake size, and lake genesis. Models could explain more of the between-site variability in CH 4 fluxes for terrestrial than aquatic ecosystems, likely due to both less precise assessments of lake CH 4 fluxes and fewer consistently reported lake site characteristics. Analysis of BAWLD-CH 4 identified both land cover classes and regions within the boreal and arctic domain, where future studies should be focused, alongside methodological approaches. Overall, BAWLD-CH 4 provides a comprehensive dataset of CH 4 emissions from high-latitude ecosystems that are useful for identifying research opportunities, for comparison against new field data, and model parameterization or validation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2010

Unveiling the Galaxy Population at 1.3 < z < 4: the HUDF05 NICMOS Parallel Fields

Using the Hubble Ultra Deep Field Near Infrared Camera and Multi-Object Spectrometer (HUDF-NICMOS) UDF05 parallel fields, we cross-matched 301 out of 630 galaxies with the ACS filters V606 and z850, NICMOS filters J110 and H160, and Spitzer IRAC filters at 3.6, 4.5, 5.8 , and 8.0 (mu)m. We modeled the spectral energy distributions (SEDs) to estimate: photometric redshifts, dust extinction, stellar mass, bolometric luminosity, starburst age and metallicity. To validate the photometric redshifts, comparisons with 16 spectroscopic redshifts give 75% within Delta < 0.2, which agrees with the sensitivities expected from the Balmer-break in our dataset. Five parallel fields observed by NICMOS have sensitivities in the H160-band of 80% at mAB = 25.4 and 50% at mAB = 26.7. Because the sample is H160-band selected, it is sensitive to stellar mass rather than UV luminosities. We also use Monte Carlo simulations to determine that the parameters from the best-fit SEDs are robust for the redshift ranges z > or approx. 1.3. Based on the robustness of the photometric redshifts, we analyze a subsample of the 301 galaxies at 1.3 < or = z < or = 2 (35 objects) and 3 < or = z < or = 4 (31 objects) and determine that L(BoI) and the star formation rate increase significantly from z approx. 1.5 to 4. The Balmer decrement is indicative of more evolved galaxies, and at high redshifts, they serve as records of some of the first galaxies. Therefore, the galaxies in this sample are great candidates for future surveys with the James Webb Space Telescope and Atacama Large Millimeter Array.

Petty, Sara M.↗

NASA NTRSDate not supplied

Thermal Desktop Modeling of 2016 CRYOTE-2 Tank Chill and Fill Testing

The storing and transfer of cryogenic propellants is an enabling technology for NASA and industry as civilization moves to expand future missions into low Earth orbit and beyond. Several ground propellant transfer tests have been conducted in past decades examining various tank chilldown and fill methods. Creating accurate models using these historical datasets is a vital step toward developing appropriate modeling tools to form pre-test predictions for subsequent ground and flight propellant transfers. This paper presents model validation of Thermal Desktop using data from the 2016 CRYOTE-2 liquid nitrogen transfer experiments whose purpose was to demonstrate the chill and fill process in a spherical receiver tank. Tank pressure, fill level, and wall temperature were all modeled and compared with 8 test cases using two modeling methods, Mass Controlled, and Pressure Controlled. This test series is the hardest Thermal Desktop tank chill and fill validation case to-date, yet the model was able to accurately predict each of these metrics for the 2016 tests within 28%, 10%, 20% respectively, for pressure, fill level, and wall temperature using the Mass Controlled model, and 29%, 79%, and 12%, respectively for the Pressure Controlled model.

Cryogenic Tank Chilldown↗

NASA NTRS2023

Capitol Reef Ecological Conservation: Mapping Vegetation Functional Groups to Inform Invasive Vegetation Management, Ecological Conservation and Restoration in Capitol Reef National Park

Invasive exotic plant (IEP) species have been found within the park boundaries of Capitol Reef National Park (CARE) in Utah. Currently, remotely sensed datasets such as the Rangeland Analysis Platform (RAP) from the United States Department of Agriculture (USDA) have been used to investigate IEP species within the park, but validation of the national RAP program is necessary for informing decisions at a local scale. CARE seeks a remote monitoring solution that can precisely target managerial efforts within the park’s challenging terrain and hard-to-reach locations. To fulfill this objective, we harnessed Landsat 8 Operational Land Imager (OLI) imagery and leveraged Random Forest (RF) modeling to generate classification maps characterizing vegetation functional groups for 2013 and 2022 within the park. Subsequently, the Land Change Modeler (LCM) in Idrisi TerrSet facilitated the production of a predicted classification map for 2033. The team also devised an annual grass probability map to accentuate areas impacted by exotic grasses. A comparative assessment between the RF classification map and the RAP map for 2022 revealed an overall agreement of 47.41%, with disparities primarily arising from differences in bare soil and shrub areas. Significantly, the 2022 RF-generated classification map showcased an impressive overall accuracy of 92.17%. In short, the probability map, the land cover change detection spanning 2013 to 2022, and the forecasting of observed trends into the future aids in the evaluation of invasive plant impacts and facilitation of CARE’s preparedness for potential ecological disturbances. Notably, in comparison to the RAP, the RF classification method generates functional group maps that are more representative of the study area.

Vanchy Li↗

NASA NTRS2024

Examination of Perforate Facesheet Impedance Prediction Models

This study examines several perforate facesheet impedance prediction models. Each model is validated with impedances educed from acoustic pressure measurements acquired in the NASA Langley Research Center Normal Incidence Tube (NIT) and Grazing Flow Impedance Tube (GFIT). This measurement dataset includes results for 73 NIT samples acquired at sound pressure levels of 100, 120, and 140 dB, and for 9 GFIT samples acquired at SPLs of 120 and 140 dB and at mean flow speeds of Mach 0.0, 0.3, and 0.5. Multiple metrics are evaluated based on different potential applications of the selected perforate facesheet model. An optimizer is then used to modify one of these models to more accurately match the full measurement dataset.

acoustic↗

NASA NTRS2011

Next-Generation Aura/OMI NO2 and SO2 Products

The measurement of both SO2 and NO2 gases are recognized as an essential component of atmospheric composition missions. We describe current capabilities and limitations of the operational Aura/OMI NO2 and SO2 data that have been used by a large number of researchers. Analyses of the data and validation studies have brought to light a number of areas in which these products can be expanded and improved. Major improvements for new NASA standard (SP) NO2 product include more accurate tropospheric and stratospheric column amounts, along with much improved error estimates and diagnostics. Our approach uses a monthly NO2 climatology based on the NASA Global Modeling Initiative (GMI) chemistry-transport model and takes advantage of OMI data from cloudy scenes to find clean areas where the contribution from the trap NO2 column is relatively small. We then use a new filtering, interpolation and smoothing techniques for separating the stratospheric and tropospheric components of NO2, minimizing the influence of a priori information. The new algorithm greatly improves the structure of stratospheric features relative to the original SP. For the next-generation OMI SO2 product we plan to implement operationally the offline iterative spectral fitting (ISF) algorithm and re-process the OMI Level-2 SO2 dataset using a priori SO2 and aerosol profiles, clouds, and surface reflectivity appropriate for observation conditions. This will improve the ability to detect and quantify weak tropospheric SO2 loadings. The new algorithm is validated using aircraft in-situ data during field campaigns in China (2005 and 2008) and in Maryland (Frostburg, 2010 and DISCOVER-AQ in July 2011). The height of the SO2 plumes will also be estimated for high SO2 loading cases (e.g., volcanic eruptions). The same SO2 algorithm will be applied to the data from OMPS sensor to be launched on NPP satellite later this year. The next-generation NO2 and SO2 products will provide critical information (e.g., averaging kernels) for evaluation of chemistry-transport models, for data assimilation, and to impose top-down constraints on the SO2 and NO2 emission sources.

Krotkov, Nickolay↗

NASA NTRS2019

DSCOVR-EPIC MAIAC AOD - A Proxy for Understanding Aerosol Diurnal Patterns from Space

The Deep Space Climate Observatory (DSCOVR) spacecraft was launched on 11 February 2015 and in June 2015 achieved its orbit at the first Lagrange point (L1), 1.5 million km from Earth toward the sun. The Earth Polychromatic Imaging Camera (EPIC) onboard DSCOVR views the entire sunlit Earth from sunrise to sunset, every 1-2 hours, at scattering angles between 168.5° and 175.5° with 10 narrowband filters in the range of 317-779 nm. NASA Multiangle Implementation of Atmospheric Correction (MAIAC) algorithm, originally developed for MODIS, has been applied to EPIC data with an Aerosol Optical Depth (AOD) product at 440nm with a 10km spatial resolution. This high temporal resolution product is a unique dataset for investigating diurnal patterns in aerosols from space. Our work analyzed the capability of the satellite-borne data to capture the aerosol diurnal variation by associating it with AERONET AOD at 440nm data over the contiguous US. We validated the DSCOVR MAIAC AOD data over 100 AERONET stations during 2015-2018, and examined the contribution of the surface reflectance and relevant acquisition angles, derived by the MAIAC algorithm, to the predicted error. We used over 180,000 hourly DSCOVR-EPIC MAIAC AOD observations with collocated with AERONET AOD observations averaged over +-30 minutes from the satellite overpass time. The AERONET and DSCOVR AOD temporal patterns show that the diurnal variation is different across US AERONET sites, with higher diurnal variation in the DSCOVR dataset in general.

Sorek-Hamer, Meytar↗

DOE OSTI2026

Xanthos-Lake Dataset

The Xanthos-Lake v1.0 dataset provides the input data, trained machine-learning models, and simulation outputs needed to characterize lake water balance, snow and ice conditions, and mixing-layer temperature within the Xanthos global hydrological modeling framework. The dataset supports lake representation across a wide range of lake sizes and hydroclimatic conditions by combining xLSIM, a basin-specific machine-learning emulator of lake snow, ice, ice-cover fraction, and mixing-layer temperature, with the Xanthos-Lake water-balance model. The archive contains NetCDF datasets used to train and evaluate xLSIM, trained model weights, processed meteorological and lake-property inputs, and basin- and lake-category-specific simulation outputs. These materials are organized into four primary data groups, described below. Snowice_model_inputs: Contains the NetCDF input data used to train xLSIM. The xLSIM machine-learning framework uses three lake-based datasets. The meteorological forcing dataset provides monthly relative humidity, specific humidity, surface wind speed, maximum and minimum air temperature, downward longwave and shortwave radiation, snowfall, surface air pressure, and total precipitation. Lake surface area is included as an additional static predictor. The target-state dataset provides lake ice thickness, snow depth, snow cover, and lake mixing-layer temperature, while a companion lake-surface dataset provides the lake ice-cover fraction. Before training, ice thickness and snow depth are converted from meters to centimeters, mixing-layer temperature is converted from kelvin to degrees Celsius and constrained to nonnegative values, and ice-cover fraction is converted from a fraction to a percentage. The predictor variables are normalized using statistics calculated across the selected lakes and time steps. Snowice_model_outputs: Contains the NetCDF outputs generated by xLSIM. For each basin, xLSIM produces a file containing observed and predicted lake-state variables for the training, validation, and testing periods. The modeled variables include lake ice thickness, snow depth, snow cover, mixing-layer temperature, and lake ice-cover fraction. For basins without a sufficiently persistent snow-and-ice signal, the emulator predicts only mixing-layer temperature. The outputs also include training and validation loss histories, the selected model configuration, identifiers of the lakes used in training, and SHAP-based feature-importance information at the global, lake, and seasonal-regime levels. The trained machine-learning model weights are provided separately within the dataset archive. Together, these files support model evaluation and subsequent coupling with the Xanthos-Lake water-balance framework. XanthosLAKES: Contains the NetCDF input data used by the Xanthos-Lake framework. Monthly meteorological inputs include relative and specific humidity, downward shortwave and longwave radiation, mean, maximum, and minimum air temperature, wind speed, precipitation, snowfall, and surface air pressure. Static lake-property datasets provide lake identifiers, geographic locations, surface area, volume, mean depth, elevation, drainage area, fetch, outlet-routing information, and associated Xanthos grid-cell attributes. Separate bathymetric datasets provide the coefficients of the area–depth and volume–depth relationships for each aggregated lake unit. GLEV-based records provide observed lake surface area and evaporation data used to initialize lake states, define reference conditions, and calibrate and evaluate the model. Xanthos-Lake Outputs: Contains the basin- and lake-category-specific NetCDF outputs generated by Xanthos-Lake. Monthly variables include lake surface area, storage volume, outlet discharge, evaporation rate, evaporation volume, lake–groundwater exchange, lake inflow, ice thickness, snow depth, snow-cover fraction, ice-cover fraction, and mixing-layer temperature. The files also contain lake-specific calibration and validation statistics, including normalized root-mean-square error, mean absolute error, Nash–Sutcliffe efficiency, Kling–Gupta efficiency, and percent bias. Stored calibrated and derived parameters include the weir discharge coefficient, fractional freeboard, groundwater exchange coefficient, reference water level, corresponding reference surface area and storage volume, weir-width adjustment factor, and the fraction of routed inflow entering the lake. Basin identifiers, lake category, simulation period, calibration and validation periods, and parameter-schema information are retained as NetCDF metadata.

Abeshu, Guta [Pacific Northwest National Laborator↗

NASA NTRS2012

Online Assessment of Satellite-Derived Global Precipitation Products

Precipitation is difficult to measure and predict. Each year droughts and floods cause severe property damages and human casualties around the world. Accurate measurement and forecast are important for mitigation and preparedness efforts. Significant progress has been made over the past decade in satellite precipitation product development. In particular, products' spatial and temporal resolutions as well as timely availability have been improved by blended techniques. Their resulting products are widely used in various research and applications. However biases and uncertainties are common among precipitation products and an obstacle exists in quickly gaining knowledge of product quality, biases and behavior at a local or regional scale, namely user defined areas or points of interest. Current online inter-comparison and validation services have not addressed this issue adequately. To address this issue, we have developed a prototype to inter-compare satellite derived daily products in the TRMM Online Visualization and Analysis System (TOVAS). Despite its limited functionality and datasets, users can use this tool to generate customized plots within the United States for 2005. In addition, users can download customized data for further analysis, e.g. comparing their gauge data. To meet increasing demands, we plan to increase the temporal coverage and expanded the spatial coverage from the United States to the globe. More products have been added as well. In this poster, we present two new tools: Inter-comparison of 3B42RT and 3B42 Inter-comparison of V6 and V7 TRMM L-3 monthly products The future plans include integrating IPWG (International Precipitation Working Group) Validation Algorithms/statistics, allowing users to generate customized plots and data. In addition, we will expand the current daily products to monthly and their climatology products. Whenever the TRMM science team changes their product version number, users would like to know the differences by inter-comparing both versions of TRMM products in their areas of interest. Making this service available to users will help them to better understand associated changes. We plan to implement this inter-comparison in TRMM standard monthly products with the IPWG algorithms. The plans outlined above will complement and accelerate the existing and ongoing validation activities in the community as well as enhance data services for TRMM and the future Global Precipitation Mission (GPM).

Liu, Zhong↗

DOE OSTI2024

NANO.PTML model for read-across prediction of nanosystems in neurosciences. computational model and experimental case of study

Abstract Neurodegenerative diseases involve progressive neuronal death. Traditional treatments often struggle due to solubility, bioavailability, and crossing the Blood-Brain Barrier (BBB). Nanoparticles (NPs) in biomedical field are garnering growing attention as neurodegenerative disease drugs (NDDs) carrier to the central nervous system. Here, we introduced computational and experimental analysis. In the computational study, a specific IFPTML technique was used, which combined Information Fusion (IF) + Perturbation Theory (PT) + Machine Learning (ML) to select the most promising Nanoparticle Neuronal Disease Drug Delivery (N2D3) systems. For the application of IFPTML model in the nanoscience, NANO.PTML is used. IF-process was carried out between 4403 NDDs assays and 260 cytotoxicity NP assays conducting a dataset of 500,000 cases. The optimal IFPTML was the Decision Tree (DT) algorithm which shown satisfactory performance with specificity values of 96.4% and 96.2%, and sensitivity values of 79.3% and 75.7% in the training (375k/75%) and validation (125k/25%) set. Moreover, the DT model obtained Area Under Receiver Operating Characteristic (AUROC) scores of 0.97 and 0.96 in the training and validation series, highlighting its effectiveness in classification tasks. In the experimental part, two samples of NPs (Fe 3 O 4 _A and Fe 3 O 4 _B) were synthesized by thermal decomposition of an iron(III) oleate (FeOl) precursor and structurally characterized by different methods. Additionally, in order to make the as-synthesized hydrophobic NPs (Fe 3 O 4 _A and Fe 3 O 4 _B) soluble in water the amphiphilic CTAB (Cetyl Trimethyl Ammonium Bromide) molecule was employed. Therefore, to conduct a study with a wider range of NP system variants, an experimental illustrative simulation experiment was performed using the IFPTML-DT model. For this, a set of 500,000 prediction dataset was created. The outcome of this experiment highlighted certain NANO.PTML systems as promising candidates for further investigation. The NANO.PTML approach holds potential to accelerate experimental investigations and offer initial insights into various NP and NDDs compounds, serving as an efficient alternative to time-consuming trial-and-error procedures.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Insights from application of a hierarchical spatio-temporal model to an intensive urban black carbon monitoring dataset

Existing regulatory pollutant monitoring networks rely on a small number of centrally located measurement sites that are purposefully sited away from major emission sources. While informative of general air quality trends regionally, these networks often do not fully capture the local variability of air pollution exposure within a community. Recent technological advancements have reduced the cost of sensors, allowing air quality monitoring campaigns with high spatial resolution. The 100×100 black carbon (BC) monitoring network deployed 100 low-cost BC sensors across the 15 km 2 West Oakland, CA community for 100 days in the summer of 2017, producing a nearly continuous site-specific time series of BC concentrations which we aggregated to one-hour averages. Leveraging this dataset, we employed a hierarchical spatio-temporal model to accurately predict local spatio-temporal concentration patterns throughout West Oakland, at locations without monitors (average cross-validated hourly temporal R 2 =0.60). Using our model, we identified spatially varying temporal pollution patterns associated with small-scale geographic features and proximity to local sources. In a sub-sampling analysis, here we demonstrated that fine scale predictions of nearly comparable accuracy can be obtained with our modeling approach by using ~30% of the 100×100 BC network supplemented by a shorter-term high-density campaign.

54 ENVIRONMENTAL SCIENCES↗