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DOE OSTI2021

An ontology to represent synthetic building occupant characteristics and behavior

Since the introduction of the occupant behavior Drivers-Needs-Actions-Systems (DNAS) framework in 2013, researchers have used the framework or further developed it based on their case studies, which include efforts to collect new data on occupant behaviors. The effort is often costly for the relatively few new data points added. Problems emerge when the already collected data do not meet the modelers' interoperability requirements. Previous studies addressed this issue by developing more sophisticated ontologies that enable integration with other datasets and synthetic data methodologies that would meet unique research applications. This paper presents an extension of the DNAS framework for the representation of synthetic occupant data to support various applications and use cases across the building life cycle. An agent-based modeling application is one of our motivations that requires more elaborate characteristics of an occupant-agent or a group-of-agent. The extension, built upon a review of the literature, introduces new elements to the framework that fall into five categories, including socio-economic, geographical location, activities, subjective values, and individual and collective adaptive actions. On-going research includes identifying occupant datasets and developing data fusion methods to generate synthetic occupants, as well as to demonstrate its applications in agent-based modeling coupled with building performance simulation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

NASA NTRS1992

Venusian extended ejecta deposits as time-stratigraphic markers

Use of impact crater ejects at time-stratigraphic markers was established during lunar geologic mapping efforts. The basic premise is that the deposition of impact ejecta, either by itself or mixed with impact-excavated material, is superimposed on a surface. The deposit becomes an observable, mappable unit produced in a single instant in geologic time. Up to two-thirds of Venus craters exhibit extended ejecta deposits. A reconnaissance survey of 336 craters (about 40 percent of the total population) was conducted. About half the craters examined were located in and around the Beta-Atla-Themis region, and half were spread over the western hemisphere of the planet. The survey was conducted using primarily C1-MIDR images. The preliminary survey shows: (1) of the 336 craters, 223 were found to have extended ejecta deposits. This proportion is higher than that found in other Venus crater databases by up to a factor of 2. (2) 53 percent of all extended ejecta craters were unambiguously superimposed on all volcanic and tectonic units. Crater Annia Faustina's associated parabolic ejecta deposit is clearly superimposed on volcanic flows coming from Gula Mons to the west. Parabola material from Faustina has covered the lava flows, smoothing the surface and reducing its specific backscatter cross section. The stratigraphy implies that the parabola material is the youngest observable unit in the region. (3) 12 percent of extended ejecta deposits are superimposed by volcanic materials. Crater Hwangcini has extended ejecta that has been covered by volcanic flows from a dome field to the northwest, implying that the volcanic units were emplaced subsequent to the ejecta deposit and are the youngest units in the locality. (4) It is difficult to determine the stratigraphic relationships of the remaining extended ejecta deposits in SAR at C1-MIDR resolution. Examination of higher resolution images and application of the other Magellan datasets in systematic manner should resolve most of the ambiguous cases. Results from the preliminary survey indicate that extended ejecta deposits are effective time-statigraphic markers for the localities. If stratigraphic relationships between the deposits and surrounding units are studied on a case-by-case basis over the whole planet, they should provide useful constraints on Venus history and development of the surface through time. The continuation of the research will expand the study to include the entire crater population and the Magellan emissivity, altimetry, reflectivity, and rms slope datasets.

Izenberg, Noam R.↗

DOE OSTI2026

HydraGNN_OPF_GFM_2026 - Ensemble of predictive graph foundation models for power grid applications

This dataset supports research on graph foundation models for optimal power flow (OPF) on electric grids using HydraGNN. It contains heterogeneous graph representations of PGLib-OPF cases spanning systems from 14 to 13,659 buses, together with packed HDF5 datasets for pretraining, feasibility classification, and N-1 contingency analysis. The release includes OPF solution data, downstream fine-tuning datasets, pretrained HeteroSAGE and HeteroHEAT model checkpoints, hyperparameter-optimization summaries across multiple heterogeneous GNN architectures, and aggregated fine-tuning results for sample-efficiency studies. The dataset is designed to enable scalable training, evaluation, and transfer-learning studies for OPF surrogate modeling, including node-level AC-OPF solution prediction, graph-level prediction, feasibility classification, operating-condition generalization, and contingency-response tasks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Meta-analysis of biogas upgrading to renewable natural gas through biological CO 2 conversion

Biogas upgrading through CO 2 conversion by hydrogenotrophic methanogenesis is receiving an increasing attention worldwide because of the demand for renewable natural gas. Herein, a holistic and statistical study of the operation conditions, driving forces, performances, and potential implementation of biogas upgrading via biological CO 2 conversion was conducted. Based on a systematic review and meta-analysis of 46 existing publications that were selected from 1475 papers, we have compiled a global dataset of CO 2 bioconversion biogas upgrading, encompassing 308 study cases. Subsequently, we employed a rigorous analytical framework incorporating data processing and mixed effects linear regression analysis to examine the dataset. This analysis revealed a significant positive relationship between the H 2 :CO 2 ratio and the methane percentage in the upgraded biogas when using the study as a random effect. Furthermore, we performed meta-analysis on observations taken when the ratio was close to 4:1 and found that ex situ reactors (91.93% [88.11%, 95.75%]) can perform better than in situ reactors (84.74% [80.69%, 88.80%]). No evidence of differential performance was found based on the present dataset between different temperature regimes or operation modes. Furthermore, those findings establish a database that will contribute to a deeper understanding of the biogas upgrading via biological CO 2 conversion.

Biogas upgrading↗

DOE OSTI2020

Interactive Visual Study of Multiple Attributes Learning Model of X-Ray Scattering Images

Existing interactive visualization tools for deep learning are mostly applied to the training, debugging, and refinement of neural network models working on natural images. However, visual analytics tools are lacking for the specific application of x-ray image classification with multiple structural attributes. In this paper, we present an interactive system for domain scientists to visually study the multiple attributes learning models applied to x-ray scattering images. It allows domain scientists to interactively explore this important type of scientific images in embedded spaces that are defined on the model prediction output, the actual labels, and the discovered feature space of neural networks. Users are allowed to flexibly select instance images, their clusters, and compare them regarding the specified visual representation of attributes. The exploration is guided by the manifestation of model performance related to mutual relationships among attributes, which often affect the learning accuracy and effectiveness. The system thus supports domain scientists to improve the training dataset and model, find questionable attributes labels, and identify outlier images or spurious data clusters. Case studies and scientists feedback demonstrate its functionalities and usefulness.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Machine Learning Application for CCUS and Fracture Analysis

This is an invited guest speaker's presentation. The present covers three use cases by applying machine learning techniques. The use cases include fracture analysis for CCUS: IBDP study, multiple level of fracture network analysis and tool: HFTS1 study, Frac-Hit with Middleland Basin datasets from collaborations with Company A.

Liu, Guoxiang↗

DOE OSTI2026

Permafrost Thaw, Uneven Subsidence and Projected Drying of Ice-wedge Polygon Tundra: Modeling Archive

This dataset is a model archive of the paper Permafrost Thaw, Uneven Subsidence and Projected Drying of Ice-wedge Polygon Tundra (in prep) to support a modeling study investigating how projected increases in Arctic temperature and precipitation will jointly influence hydrologic conditions in ice-rich tundra landscapes. With this dataset, this study is to address the research question: Will Arctic tundra landscapes become wetter or drier with increasing precipitation and temperature in the future when thaw-induced ground subsidence and associated microtopographic evolution are represented? The simulations focus on ice-wedge polygon tundra, a widespread form of ice-rich permafrost terrain that is highly sensitive to thaw-driven landscape change. This dataset contains model input and output data for four study watersheds in Alaska: Anaktuvuk, Utqiagvik (formerly Barrow), Brooks Foothills, and Prudhoe Bay. Simulations were performed using the Advanced Terrestrial Simulator (ATS, v1.5), a physics-rich integrated surface–subsurface hydrologic model. For each watershed, ten modeling cases were performed representing two landscape evolution conditions (with subsidence and without subsidence) combined with five climate forcing scenarios derived from Shared Socioeconomic Pathways (SSP5, SSP5 with precipitation trend, SSP2, SSP2 with precipitation trend, and SSP2 with double precipitation trend). Particularly, for each watershed under the forcing SSP2 with precipitation trend, there are two additional simulations considering spatially heterogeneous subsidence distributions: one assumes randomly distributed scaling and the other includes elevation dependent distribution scaling. These simulations span 1980–2099 and include spin-up runs (1980–2009) followed by transient projections (2010–2099). To facilitate reproducibility of simulations, all datasets are organized by watershed. For each study watershed, the dataset contains: (1) Pre-partitioned mesh files for 32-core modeling (.par.32.XX), located in EACH_WATERSHED/mesh/basin; and also a non-partitioned mesh file (.exo) located in EACH_WATERSHED/mesh; (2) Climate forcings corresponding to the five SSP scenarios (.h5), located in EACH_WATERSHED/data; (3) Final states (.h5) from column spin-up modeling used to initialize historical watershed-scale spin-up runs from 1980 to 2009, located in EACH_WATERSHED/PreSpinupHistorical; (4) Final states (.h5) of historical watershed-scale spin-up runs from 1980 to 2009 used to initialize projection runs, located in EACH_WATERSHED/Spinup_daymetERA5; (5) ATS modeling input files (.xml), located in EACH_WATERSHED/EACH_SIMULATION_SCENARIO/inputfiles; (6) ATS modeling output files (.dat), located in in EACH_WATERSHED/EACH_SIMULATION_SCENARIO/combined_obs; (7) For the Brooks Foothills watershed, additional spatial model outputs are provided (.h5) for selected years (2033 and 2093) used to generate spatial figures in this study, located in Brooksfoothills/EACH_SIMULATION_SCENARIO/results-WITH/WITHOUT_SUBSIDENCE-year2033/2093. All data files with suffix .h5 can be accessible through Python h5py, and all data files with suffix of .dat can be imported by Python pandas. Mesh file with .exo can be visualized through Paraview or read by Python netCDF. The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research. Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

EARTH SCIENCE > ATMOSPHERE > PRECIPITATION↗

DOE OSTI2023

Highly Resolved Projections of Passenger Electric Vehicle Charging Loads for the Contiguous United States: Results From and Methods Behind Bottom-Up Simulations of County-Specific Household Electric Vehicle Charging Load (Hourly 8760) Profiles Projected Through 2050 for Differentiated Household and Vehicle Types

This report documents enhancements made to the TEMPO (Transportation Energy & Mobility Pathway Options TM ) model to project spatially, demographically, and temporally resolved national-scale EV charging load profiles and describes three scenarios and corresponding datasets created for the NREL demand-side grid (dsgrid) project in support of bulk power systems modeling. In brief, TEMPO was enhanced to disaggregate national and annual energy demand projections into household and county-level projections of passenger electric vehicle (EV) hourly charging load profiles (8760 profiles), accounting for consumer, travel, and temperature variations that impact EV energy demand. In alignment with NREL's forward-looking grid modeling, three scenarios for EV adoption covering 2020-2050 were created-- Annual Energy Outlook (AEO) Reference Case, Electrification Futures Study (EFS) High Electrification, and All EV Sales by 2035 --and associated datasets have been included in the dsgrid platform for public use.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2014

Missing Data and Multiple Imputation: An Unbiased Approach

The default method of dealing with missing data in statistical analyses is to only use the complete observations (complete case analysis), which can lead to unexpected bias when data do not meet the assumption of missing completely at random (MCAR). For the assumption of MCAR to be met, missingness cannot be related to either the observed or unobserved variables. A less stringent assumption, missing at random (MAR), requires that missingness not be associated with the value of the missing variable itself, but can be associated with the other observed variables. When data are truly MAR as opposed to MCAR, the default complete case analysis method can lead to biased results. There are statistical options available to adjust for data that are MAR, including multiple imputation (MI) which is consistent and efficient at estimating effects. Multiple imputation uses informing variables to determine statistical distributions for each piece of missing data. Then multiple datasets are created by randomly drawing on the distributions for each piece of missing data. Since MI is efficient, only a limited number, usually less than 20, of imputed datasets are required to get stable estimates. Each imputed dataset is analyzed using standard statistical techniques, and then results are combined to get overall estimates of effect. A simulation study will be demonstrated to show the results of using the default complete case analysis, and MI in a linear regression of MCAR and MAR simulated data. Further, MI was successfully applied to the association study of CO2 levels and headaches when initial analysis showed there may be an underlying association between missing CO2 levels and reported headaches. Through MI, we were able to show that there is a strong association between average CO2 levels and the risk of headaches. Each unit increase in CO2 (mmHg) resulted in a doubling in the odds of reported headaches.

Foy, M.↗

NASA NTRSDate not supplied

Mapping Inundation from Hurricane Florence (2018) with L-Band Synthetic Aperture Radar, Commercial Imagery, and Ancillary Data via Random Forest Classification

Mapping the extent of floodwaters following extreme rainfall aids in the distribution of resources, recovery efforts, and damage assessment practices. Development of a land cover classification system focused on mapping inundation after major hurricane events using synthetic aperture radar (SAR) data could allow for the production of near-real-time inundation mapping, enabling government and emergency response entities to get a preliminary idea of a developing situation. In response to Hurricane Florence of 2018, NASA JPL collected numerous swaths of quad-pol L-band SAR data with the Uninhabited Aerial Vehicle Synthetic Aperture Radar (UAVSAR) instrument observing the record-setting river stages across North and South Carolina. The resulting fully-polarized SAR images allow for mapping of inundation extent at a high spatial resolution with a unique advantage over optical imaging stemming from the sensor’s ability to penetrate cloud cover and dense vegetation. This study seeks to determine how accurately maps of inundation can be generated from L-band SAR imagery through Random Forest classification. Once the extent of water and inundated vegetation is classified, cleanup operations are performed using fuzzy logic to reduce false detections. Estimates of water extent are then combined with datasets describing the distribution of population, buildings, and roads throughout the domain to evaluate societal impacts. Results from the Hurricane Florence case study will be discussed along with the limitations of available validation data for assessment of the classifier’s accuracy.

Alexander Melancon↗

DOE OSTI2026

A bespoke model of Arctic river basins based on hillslope delineation: Model Archive

This dataset is a model archive of the paper A bespoke model of Arctic river basins based on hillslope delineation (in prep), which introduces a watershed decomposition and parameterization method for large scale permafrost hydrology simulation. With this dataset, this study aims to address the research question: whether a computationally efficient hillslope-based modeling framework can reliably simulate discharge at Arctic river-basin scales. This dataset contains model input and output data for five modeling scenarios at a study site located in the Sagavanirktok River basin. The five modeling scenarios include three modeling cases under temperate conditions using full 3D, decomposed 3D, and decomposed 2D modeling strategies; and two modeling cases under actual Arctic conditions with permafrost using full 3D and decomposed 2D modeling strategies. Simulations were performed using the Advanced Terrestrial Simulator (ATS, v1.6 for three temperate scenarios and v1.5 for two Arctic scenarios), a physics-rich integrated surface–subsurface hydrologic model with cryo-hydrology features. For the three temperate models, simulations were conducted for the period of 10/01/1993 - 09/30/2002; and for the two Arctic models, simulations were conducted for the period of 01/01/1994 - 12/31/2002. To facilitate reproducibility of simulations, all datasets are organized hierarchically. The dataset contains: (1) Mesh files (.exo) for full 3D model, decomposed 3D models, and decomposed 2D models, located in huc/190604020802_gauge15906000/mesh/. Mesh files can be visualized through Paraview or read by Python. (2) Climate forcings (.h5) for full 3D model and decomposed 3D/2D models are located in huc/190604020802_gauge15906000/daymet_onePiece/, and huc/190604020802_gauge15906000/vp_pr_revised_daymet_1980_2006_with_wind/ separately. Accessible by Python. (3) Raw measured gage discharge (.csv) from USGS, located in huc/190604020802_gauge15906000/gaged_basin15906000_discharge_usgs/. Accessible by Python. (4) Delineated subdomain raster (.tif) and shape files (.shp), and the final parameterized results (.npy) for decomposed models, located in huc/190604020802_gauge15906000/data_preprocessed-meshing. Accessible by Python. (5) Temperate models are located in nonpermaf_huc190604020802_gauge15906000/, which includes three cases: decomposed 2D models (inside model_0*-hillslope_*), decomposed 3D models (inside model_1*-subcatchment_*), and full 3D model (inside model_2*-onepiece_*). Two step spin-up results (checkpoint_final.h5) are located in model_*1-*_spinup_steadystate and model_*2-*_spinup_cycle, separately, which are used to initialize real transient models. The input files (.xml) and output results (.dat) of the real transient models are located in model_*3-*_transient/. Especially, for two example hillslope models (ID=-11 and 11), additional h5py files are included in model_03-hillslope_transient/hillslope-11/, model_03-hillslope_transient/hillslope11, model_13-subcatchment_transient/subcatchment-11/, model_13-subcatchment_transient/subcatchment/11, respectively, which are used to plot the saturation figure (Figure 5) in the manuscript. Accessible by Python. (6) Arctic models are located in huc190604020802_gauge15906000/, which includes two cases: decomposed 2D models (inside model_04-hillslope_transient), and full 3D model (inside model_05-onepiece_transient_mannp1_ra). Three step spin-up results (checkpoint_final.h5) are located in model_01-column_freezeup/, model_02-column_spinup/, model_03-hillslope_spinup/, respectively, which are used to initialize real 2D transient hillslope models. The input files (.xml) and output results (.dat) of transient 2D hillslope models are located in model_04-hillslope_transient/. The input files (.xml) and output results (.dat) of the full 3D transient model is located in model_05-onepiece_transient_mannp1_ra/. The full 3D transient model is initialized by model_02-column_spinup/. Accessible by Python. (7) The MOSART routed discharge results (.csv) under Arctic conditions is located in huc190604020802_gauge15906000/MOSART/. Accessible by Python. (8) All Python codes (.py) used to parameterize full 3D model to decomposed 2D models are located in script/. These codes fit with watershed workflow (a watershed delineation tool) v1.4 under the branch gaob/v1.4 from https://github.com/gaobhub/watershed-workflow.git.

EARTH SCIENCE > CRYOSPHERE↗

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 OSTI2022

A deep dilated convolutional residual network for predicting interchain contacts of protein homodimers

Abstract Motivation Deep learning has revolutionized protein tertiary structure prediction recently. The cutting-edge deep learning methods such as AlphaFold can predict high-accuracy tertiary structures for most individual protein chains. However, the accuracy of predicting quaternary structures of protein complexes consisting of multiple chains is still relatively low due to lack of advanced deep learning methods in the field. Because interchain residue–residue contacts can be used as distance restraints to guide quaternary structure modeling, here we develop a deep dilated convolutional residual network method (DRCon) to predict interchain residue–residue contacts in homodimers from residue–residue co-evolutionary signals derived from multiple sequence alignments of monomers, intrachain residue–residue contacts of monomers extracted from true/predicted tertiary structures or predicted by deep learning, and other sequence and structural features. Results Tested on three homodimer test datasets (Homo_std dataset, DeepHomo dataset and CASP-CAPRI dataset), the precision of DRCon for top L/5 interchain contact predictions (L: length of monomer in a homodimer) is 43.46%, 47.10% and 33.50% respectively at 6 Å contact threshold, which is substantially better than DeepHomo and DNCON2_inter and similar to Glinter. Moreover, our experiments demonstrate that using predicted tertiary structure or intrachain contacts of monomers in the unbound state as input, DRCon still performs well, even though its accuracy is lower than using true tertiary structures in the bound state are used as input. Finally, our case study shows that good interchain contact predictions can be used to build high-accuracy quaternary structure models of homodimers. Availability and implementation The source code of DRCon is available at https://github.com/jianlin-cheng/DRCon. The datasets are available at https://zenodo.org/record/5998532#.YgF70vXMKsB. Supplementary information Supplementary data are available at Bioinformatics online.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2019

The Cumulus and Stratocumulus CloudSat-CALIPSO Dataset (CASCCAD)

Low clouds continue to contribute greatly to the uncertainty in cloud feedback estimates. Depending on whether a region is dominated by cumulus (Cu) or stratocumulus (Sc) clouds, the interannual low-cloud feedback is somewhat different in both spaceborne and large-eddy simulation studies. Therefore, simulating the correct amount and variation of the Cu and Sc cloud distributions could be crucial to predict future cloud feedbacks. Here we document spatial distributions and profiles of Sc and Cu clouds derived from Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) and CloudSat measurements. For this purpose, we create a new dataset called the Cumulus And Stratocumulus CloudSat-CALIPSO Dataset (CASCCAD), which identifies Sc, broken Sc, Cu under Sc, Cu with stratiform outflow and Cu. To separate the Cu from Sc, we design an original method based on the cloud height, horizontal extent, vertical variability and horizontal continuity, which is separately applied to both CALIPSO and combined CloudSat–CALIPSO observations. First, the choice of parameters used in the discrimination algorithm is investigated and validated in selected Cu, Sc and Sc–Cu transition case studies. Then, the global statistics are compared against those from existing passive- and active-sensor satellite observations. Our results indicate that the cloud optical thickness – as used in passive-sensor observations – is not a sufficient parameter to discriminate Cu from Sc clouds, in agreement with previous literature. Using clustering-derived datasets shows better results although one cannot completely separate cloud types with such an approach. On the contrary, classifying Cu and Sc clouds and the transition between them based on their geometrical shape and spatial heterogeneity leads to spatial distributions consistent with prior knowledge of these clouds, from ground-based, ship-based and field campaigns. Furthermore, we show that our method improves existing Sc–Cu classifications by using additional information on cloud height and vertical cloud fraction variation. Finally, the CASCCAD datasets provide a basis to evaluate shallow convection and stratocumulus clouds on a global scale in climate models and potentially improve our understanding of low-level cloud feedbacks. The CASCCAD dataset (Cesana, 2019, https://doi.org/10.5281/zenodo.2667637) is available on the Goddard Institute for Space Studies (GISS) website at https://data.giss.nasa.gov/clouds/casccad/ (last access: 5 November 2019) and on the zenodo website at https://zenodo.org/record/2667637 (last access: 5 November 2019).

Cesana, Gregory V.↗

NASA NTRS2011

Evaluating the Impacts of NASA/SPoRT Daily Greenness Vegetation Fraction on Land Surface Model and Numerical Weather Forecasts

The NASA Short-term Prediction Research and Transition (SPoRT) Center develops new products and techniques that can be used in operational meteorology. The majority of these products are derived from NASA polar-orbiting satellite imagery from the Earth Observing System (EOS) platforms. One such product is a Greenness Vegetation Fraction (GVF) dataset, which is produced from Moderate Resolution Imaging Spectroradiometer (MODIS) data aboard the NASA EOS Aqua and Terra satellites. NASA SPoRT began generating daily real-time GVF composites at 1-km resolution over the Continental United States (CONUS) on 1 June 2010. The purpose of this study is to compare the National Centers for Environmental Prediction (NCEP) climatology GVF product (currently used in operational weather models) to the SPoRT-MODIS GVF during June to October 2010. The NASA Land Information System (LIS) was employed to study the impacts of the new SPoRT-MODIS GVF dataset on land surface models apart from a full numerical weather prediction (NWP) model. For the 2010 warm season, the SPoRT GVF in the western portion of the CONUS was generally higher than the NCEP climatology. The eastern CONUS GVF had variations both above and below the climatology during the period of study. These variations in GVF led to direct impacts on the rates of heating and evaporation from the land surface. The second phase of the project is to examine the impacts of the SPoRT GVF dataset on NWP using the Weather Research and Forecasting (WRF) model. Two separate WRF model simulations were made for individual severe weather case days using the NCEP GVF (control) and SPoRT GVF (experimental), with all other model parameters remaining the same. Based on the sensitivity results in these case studies, regions with higher GVF in the SPoRT model runs had higher evapotranspiration and lower direct surface heating, which typically resulted in lower (higher) predicted 2-m temperatures (2-m dewpoint temperatures). The opposite was true for areas with lower GVF in the SPoRT model runs. These differences in the heating and evaporation rates produced subtle yet quantifiable differences in the simulated convective precipitation systems for the selected severe weather case examined.

Bell, Jordan R.↗

DOE OSTI2021

Accelerating large scale de novo metagenome assembly using GPUs

Metagenomic workflows involve studying uncultured microorganisms directly from the environment. These environmental samples when processed by modern sequencing machines yield large and complex datasets that exceed the capabilities of metagenomic software. The increasing sizes and complexities of datasets make a strong case for exascale-capable metagenome assemblers. However, the underlying algorithmic motifs are not well suited for GPUs. This poses a challenge since the majority of next-generation supercomputers will rely primarily on GPUs for computation. In this paper we present the first of its kind GPU-Accelerated implementation of the local assembly approach that is an integral part of a widely used large-scale metagenome assembler, MetaHipMer. Local assembly uses algorithms that induce random memory accesses and non-deterministic workloads, which make GPU offloading a challenging task. Our GPU implementation outperforms the CPU version by about 7x and boosts the performance of MetaHipMer by 42% when running on 64 Summit nodes.

Awan, Muaaz Gul↗

NASA NTRS2003

Simulated Radar Characteristics of LBA Convective Systems: Easterly and Westerly Regimes

The 3D Goddard Cumulus Ensemble (GCE) model was used to simulate convection that occurred during the TRMM LBA field experiment in Brazil. Convection in this region can be categorized into two different regimes. Low-level easterly flow results in moderate to high CAPE and a drier environment. Convection is more intense like that seen over continents. Low-level westerly flow results in low CAPE and a moist environment. Convection is weaker and more widespread characteristic of oceanic or monsoon-like systems. The GCE model has been used to study both regimes n order to provide cloud datasets that are representative of both environments in support of TRMM rainfall and heating algorithm development. Two different cases are analyzed: Jan 26, 1999, an eastely regime case, and Feb 23, 1999, a westerly regime case. The Jan 26 case is an organized squall line, while the Feb 23 case is less organized with only transient lines. Radar signatures, including CFADs, from the two simulated cases are compared to each other and with observations. The microphysical processes simulated in the model are also compared between the two cases.

Lang, Stephen E.↗

NASA NTRS2019

Approach for Propagating Radiometric Data Uncertainties Through NASA Ocean Color Algorithms

Spectroradiometric satellite observations of the ocean are commonly referred to as “ocean color” remote sensing. NASA has continuously collected, processed, and distributed ocean color datasets since the launch of the Sea-viewing Wide-field-of-view Sensor (SeaWiFS) in 1997. While numerous ocean color algorithms have been developed in the past two decades that derive geophysical data products from sensor-observed radiometry, few papers have clearly demonstrated how to estimate measurement uncertainty in derived data products. As the uptake of ocean color data products continues to grow with the launch of new and advanced sensors, it is critical that pixel-by-pixel data product uncertainties are estimated during routine data processing. Knowledge of uncertainties can be used when studying long-term climate records, or to assist in the development and performance appraisal of bio-optical algorithms. In this method paper we provide a comprehensive overview of how to formulate first-order first-moment (FOFM) calculus for propagating radiometric uncertainties through a selection of bio-optical models. We demonstrate FOFM uncertainty formulations for the following NASA ocean color data products: chlorophyll-a pigment concentration (Chl), the diffuse attenuation coefficient at 490 nm (K(sub d,490)), particulate organic carbon (POC), normalized fluorescent line height (nflh), and inherent optical properties (IOPs). Using a quality-controlled in situ hyperspectral remote sensing reflectance (R(sub rs,i)) dataset, we show how computationally inexpensive, yet algebraically complex, FOFM calculations may be evaluated for correctness using the more computationally expensive Monte Carlo approach. We compare bio-optical product uncertainties derived using our test R(sub rs) dataset assuming spectrally-flat, uncorrelated relative uncertainties of 1, 5, and 10%. We also consider spectrally dependent, uncorrelated relative uncertainties in R(sub rs). The importance of considering spectral covariances in R(sub rs), where practicable, in the FOFM methodology is highlighted with an example SeaWiFS image. We also present a brief case study of two POC algorithms to illustrate how FOFM formulations may be used to construct measurement uncertainty budgets for ecologically-relevant data products. Such knowledge, even if rudimentary, may provide useful information to end-users when selecting data products or when developing their own algorithms.

Bio-optics↗