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At least 577 records · Page 32

California - Auxiliary Datasets for Buoy (130), Morro Bay / Derived Data

This dataset compiles results from different model-based hindcasts and instruments that measure environmental variables at the location of the associated lidar buoys. This dataset complements the lidar buoy measurements by providing longer time histories of selected environmental parameters. The data were extracted from the closest grid point to the average lidar buoy position. The data were obtained from the public domain and references to the originators/owners are provided under each instrument.

17 WIND ENERGY↗

Hydropower Energy Storage Capacity Dataset

The Hydropower Energy Storage Capacity (HESC) Dataset catalogues estimates of nominal energy storage capacity based on varying levels of detail. Dams and reservoirs selected were selected based on those reported in the National Inventory of Dams (NID 2019) and/or the Global Reservoir and Dam (GRanD v1.3) datasets. These data provide a foundation for understanding available resources at existing hydropower facilities and their potential to provide storage of energy and more flexible generation. Current estimates include Level 1 (based on maximum storage capacities and hydraulic head) and Level 2 (based on historical models or observations of reservoir volume and hydraulic head). For facilities where installed capacity is known, there are also estimates for discharge duration or the length of time when a facility could provide generation at a given capacity. Essential information used to calculate the energy storage capacity and discharge duration (volume, hydraulic head, and details about the sources or records used to obtain those parameters) and summaries of historical generation (for context) are also included.

13 HYDRO ENERGY↗

Hydropower Energy Storage Capacity (HESC) Dataset

The Hydropower Energy Storage Capacity (HESC) Dataset catalogs characteristics that are relevant to evaluating reservoir storage and estimates of energy storage capacity based on varying levels of detail. Hydropower dams and reservoirs were included based on information from the National Inventory of Dams (NID; USACE, 2021) and Global Reservoir and Dam (GRanD v1.3) and Existing Hydropower Assets datasets. These data provide a foundation for understanding available resources at existing hydropower facilities and their potential to provide storage of energy and more flexible generation. Estimates of energy storage capacity include: • Level 1 – nominal energy storage capacity based on maximum storage capacities and hydraulic head • Level 2 – nominal energy storage capacity based on historical models or observations of reservoir volume and hydraulic head. These estimates are provided based on capacity from the entire historical period as well as monthly values. • Level 3 – modeled energy generation based on volume-elevation relationships, historical storage, observed/modeled inflows, and hydraulic capacity of turbines and calculated both as overall and on a monthly basis. • Level 4 – modeled energy generation incorporating information from Level 3 and operational constraints. For facilities where installed capacity is known, there are also estimates for discharge duration (the length of time when a facility could provide generation at a given capacity).

13 HYDRO ENERGY↗

Hydropower Licensing Timeline and Cost Dataset

This dataset provides timeline dates, lengths, project characteristics, license characteristics, and costs of hydropower licensing and relicensing for 107 randomly selected hydropower projects that have been issued licenses since 1 October 2005. Projects included in this dataset were licensed but not necessarily constructed. These data were analyzed and presented in Chapters 3 (timeline data) and 5 (cost data) of the Levine et al. (2021) report

13 HYDRO ENERGY↗

Foundational Dataset for Developing Large-Sample Stream Temperature Models in the Conterminous United States

This dataset provides inputs, evaluation results, and trained weights from a large-sample Long Short-Term Memory (LSTM) model designed to predict daily stream temperatures across unregulated river reaches in the conterminous United States (CONUS). It includes dynamic meteorological and hydrologic forcings, static physiographic attributes, and model outputs from cross-validation experiments spanning 300 basins. It supports reproducible modeling, direct application for new basins, and provides data suitable for integration with reservoir and river simulations under current and future climates. It contains two .zip files described below · RQ-AI_runs.zip: Model outputs from 10-fold cross-validation experiments, including observed and predicted daily stream temperatures, along with test performance metrics for water years 2017–2019. Two versions are included: 1. Model trained and validated using subbasin-area weighted dynamic features. 2. Model trained and validated using whole-basin area weighted dynamic features. · RQ-AI_inputs.zip: Collection of all formatted dynamic and static predictor datasets (meteorological, hydrologic, and physiographic features) used in model training and analysis. Detailed instructions and data structure is held at the following GitLab repository: https://code.ornl.gov/tempwise/training.

Gomez-Velez, Jesus [Oak Ridge National Laboratory ↗

Hydrological dataset for reservoir sedimentation in Texas

This dataset provides comprehensive hydrological information about reservoir sedimentation in Texas, including observed and remotely sensed sediment concentration, river discharge, watershed boundary, lake geometry, reservoir capacity, land use and land cover (LULC), and population data. In-depth interpretation of the dataset is elaborated in in a journal article, entitled " Sedimentation and nonlinear trapping in Texas reservoirs identified using remote sensing and bathymetric survey records (will be accepted soon at Water Resources Research)."

Lee, Jiyong [Oak Ridge National Laboratory (ORNL),↗

Distinct Source Water Chemistry Shapes Contrasting Concentration Discharge Patterns, Water Resources Research: Dataset

This package contains discharge and water quality data and model results at Coal Creek Watershed. Specifically, 1) discharge and stream chemistry dataset from USGS; 2) high-frequency measured stream chemistry dataset during the period of Dec 2015 to Jun 2018; 3) model results of water storage and flux, and stream chemistry of dissolved organic carbon and sodium for the period of 2016.

54 ENVIRONMENTAL SCIENCES↗

Fast Extraction and Characterization of Fundamental Frequency Events from a Large PMU Dataset using Big Data Analytics

A novel method for fast extraction of fundamental frequency events (FFE) based on measurements of frequency and rate of change of frequency by Phasor Measurement Units (PMU) is introduced. The method is designed to work with exceptionally large historical PMU datasets. Statistical analysis was used to extract the features and train Random Forest and Catboost classifiers. The method is capable of fast extraction of FFE from a historical dataset containing measurements from hundreds of PMUs captured over multiple years. The reported accuracy of the best algorithm for classification expressed as Area Under the receiver operating Characteristic curve reaches 0.98, which was obtained in out-of-sample evaluations on 109 system-wide events over 2 years observed at 43 PMUs. Then Minimum Volume Enclosing Ellipsoid Algorithm was used to further analyze the events. 93.72% events were correctly characterized, where average duration of the event as seen by the PMU was 9.93 sec.

Baembitov, Rashid↗

National Park Air Quality Index Dataset

The National Park Air Quality Index dataset (NPS-AQI) consists of webcam images taken from the National Park Service's publicly available air quality web cameras and associated measurements for air pollutants, AQI, and meteorological data obtained via the publicly available NPS Gaseous Pollutant Monitoring Program. The full dataset is a collection of 146,822 images paired with air quality measurements. The specific measurements reported are: ozone ppm, 8-hour running average ozone ppm, so2 ppm, AQI (derived from ozone), temperature, and humidity. The images are 1500X1000 pixel PNG files arranged into folders by NPS site and named according to the time and date the image was taken. There are three CSV files (representing "training", "validation", and "testing" images splits) containing image names and associated NPS site names, air pollutant measurements, and meteorlogical data.

Svinth, Christian N↗

Datasets for Custom-trained Machine-learning Interatomic Potentials: Nitric Acid Aqueous Solution

This dataset was generated using an iterative active learning strategy with the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials (MLIPs) for aqueous nitric acid. Each active-learning cycle consisted of three stages: (1) training, (2) exploration, and (3) labeling. The initial training set comprised approximately 800 randomly selected configurations from a previous study by Lewis et al. (https://doi.org/10.1021/jp205510q), which investigated nitric acid solutions at 2, 3, 4, and 5 mol/L. For all configurations, single-point calculations of atomic forces and total energies were performed at the quantum density functional theory BLYP-D2 and PBE-D3 levels of theory using the CP2K Quickstep module. Valence electrons were treated explicitly, while core electrons on all atoms were represented by norm-conserving Goedecker–Teter–Hutter (GTH) pseudopotentials. Long-range dispersion interactions were accounted for using Grimme dispersion corrections. Wave functions were expanded in a mixed Gaussian-and-plane-wave scheme using TZV2P-MOLOPT basis sets for all elements and an 800 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent field convergence was accelerated using orbital transformation and Direct Inversion in the Iterative Subspace, with a convergence threshold of 10^{-6}. All single-point calculations were carried out in periodic orthorhombic cells whose dimensions match those of the molecular configurations sampled from earlier trajectories. The CELL_REF keyword in CP2K was used to define a fixed reference cell, ensuring consistency in the reference data used for MLIP training, particularly when cell fluctuations are present in NpT simulations. The resulting high-fidelity energies and forces constitute the ground-truth labels used to train the MLIPs contained in this dataset.

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗

GCAM-Demeter LU dataset

The dataset includes the projected global gridded land cover (excluding the Antarctic) for the period of 2015-2100 at 0.05-degree resolution and 5-year time step under fifteen SSP-RCP scenarios driven by five GCMs (i.e., gfdl, hadgem, ipsl, miroc, and noresm), using the Global Change Analysis Model (GCAM) and a geospatial downscaling model (Demeter). The data has been stored in self-describing NetCDF format. The dataset also includes the mean and standard deviation of the results driven by the five GCMs. More specifically, the data in each year includes grid-explicit fraction (in percent) of each of the 32 plant functional types that are widely used in current Earth system models. The NetCDF files are named as “GCAM_Demeter_LU_SSP_RCP_Model_Year.nc”, where “SSP” and “RCP” denote the SSP and RCP scenarios, including 'ssp1_rcp26', 'ssp1_rcp45', 'ssp1_rcp60', 'ssp2_rcp26', 'ssp2_rcp45', 'ssp2_rcp60', 'ssp3_rcp45', 'ssp3_rcp60', 'ssp4_rcp26', 'ssp4_rcp45', 'ssp4_rcp60', 'ssp5_rcp26', 'ssp5_rcp45', 'ssp5_rcp60', and 'ssp5_rcp85'. “Year” denotes the year of the land use data, and “GCM” denotes the source driving forcing data from five global climate models (gfdl, hadgem, ipsl, miroc, and noresm), or the mean (“modelmean”) and the standard deviation (“modelstd”) of the results from the five GCMs.

54 ENVIRONMENTAL SCIENCES↗

Validation of the Community Land Model Version 5 over the Contiguous United States (CONUS) using in-situ and remote sensing datasets

The Community Land Model (CLM) is an effective tool to simulate the biophysical and biogeochemical processes and their interactions with the atmosphere. Although CLM Version 5 (CLM5) constitutes various updates in these processes, its performance in simulating energy, water and carbon cycles over the Contiguous United States (CONUS) at scales which land surface changes and hydrometeorological and hydroclimatological applications are more locally relevant is yet to be assessed. In this study, we conducted three simulations at 0.125? during 1979-2018 over the CONUS using different configurations of CLM, namely CLM5-biogeochemistry (CLM5BGC), CLM4.5BGC, and CLM5-satellite phenology (CLM5SP). We validated and compared their simulations against multiple remote-sensed and in-situ datasets. Overall, the parametric and structural updates (e.g., carbon cost for nitrogen uptake, variable soil thickness, dry surface layer) in CLM5 improve its ability in capturing terrestrial biogeochemical dynamics. The low evapotranspiration in CLM5BGC is associated with biases in simulating vegetation phenological characteristics rather than soil water limitations. The mismatch between CLM5BGC-simulated peak leaf area index and reference data can be attributed to CLM5BGC's inability in simulating phenology of trees and grasses. The differences between CLM-simulated irrigation and reference estimates can be attributed to differences between processes represented in models and in reality, and uncertainties in input and validation datasets. Evaluation against observations at small catchments suggest that hydrologic parameters needed to be calibrated to improve simulations of runoff, especially subsurface runoff. Additional efforts are needed to incorporate spatially-distributed plant phenology and physiology parameters and regional-specific agricultural management practices (e.g., planting, harvest).

54 ENVIRONMENTAL SCIENCES↗

APPL Hyperspectral_Imaging_Dataset_for_Heritability_Analysis_in_Populus_trichocarpa

This dataset contains hyperspectral imaging data collected at the Advanced Plant Phenotyping Laboratory (APPL) at Oak Ridge National Laboratory. Natural variants of Populus trichocarpa were imaged using a high-throughput hyperspectral phenotyping pipeline to quantify spectral reflectance traits for downstream quantitative genetics analyses. The dataset includes hyperspectral image files and derived reflectance data products suitable for extracting spectral features across the measured wavelength range (e.g., VNIR and/or SWIR, depending on instrument configuration), along with associated sample metadata (e.g., genotype identifiers, experimental design factors, and imaging run identifiers). These data were generated to support analyses of broad-sense heritability of hyperspectral traits and their relationships with biochemical phenotypes (including lignin traits from Py-MBMS).

APPL↗

Dataset_for_Conserved_macromolecular_architecture_of_Poplar_secondary_cell_walls_revealed_by_ssNMR_and_atomistic_modeling

This dataset contains solid-state 13C NMR data and atomistic molecular dynamics simulation files supporting the study of nanoscale secondary cell wall architecture across 13 genetically diverse Populus trichocarpa genotypes grown under uniform greenhouse conditions in 13C-enriched CO2 atmospheres (~89% 13C enrichment).The dataset contains two collections of solid-state 13C NMR data. (1) 200 MHz data (Bruker Avance III HD, 4 mm HX probe, 10 kHz MAS): raw Bruker TopSpin experiment folders and DMFIT-exported ascii spectra for selective and non-selective 1D 13C-13C spin diffusion experiments (3000 ms mixing) used to quantify inter-polymer spatial proximities, and short-mixing (1 ms) reference spectra used for polymeric abundance quantification by spectral deconvolution. (2) 600 MHz data (Bruker Avance III, 1.6 mm PhoenixNMR HXY probe, 30 kHz MAS): raw Bruker TopSpin experiment folders containing 2D CORD, 2D CP-INADEQUATE, and 13C/1H relaxation (T1, T1rho) experiments for all 13 genotypes, with processed Excel workbooks per experiment type. Molecular dynamics simulation code, coordinate files, and analysis scripts (NAMD/CHARMM/Python) for six atomistic cell wall models are included. Summarized ssNMR data are compiled into a single excel file and subjected to statistical analysis. Multivariate analysis code (PCA, Pearson correlation) and summary data are provided as excel worksheets and Jupyter notebooks (Python 3).

09 BIOMASS FUELS↗

TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasets

Artificial-intelligence and machine-learning (AI/ML) approaches to predicting T-cell receptor (TCR)-epitope specificity achieve high performance metrics on test datasets which include sequences that are also part of the training set but fail to generalize to test sets consisting of epitopes and TCRs that are absent from the training set, i.e., are ‘unseen’ during training of the ML model. We present TCR-H, a supervised classification Support Vector Machines model using physicochemical features trained on the largest dataset available to date using only experimentally validated non-binders as negative datapoints. TCR-H exhibits an area under the curve of the receiver-operator characteristic (AUC of ROC) of 0.87 for epitope ‘hard splitting’ (i.e., on test sets with all epitopes unseen during ML training), 0.92 for TCR hard splitting and 0.89 for ‘strict splitting’ in which neither the epitopes nor the TCRs in the test set are seen in the training data. Furthermore, we employ the SHAP (Shapley additive explanations) eXplainable AI (XAI) method for post hoc interrogation to interpret the models trained with different hard splits, shedding light on the key physiochemical features driving model predictions. TCR-H thus represents a significant step towards general applicability and explainability of epitope:TCR specificity prediction.

60 APPLIED LIFE SCIENCES↗

BOOSTR: A Dataset for Accelerator Control Systems

The Booster Operation Optimization Sequential Time-series for Regression (BOOSTR) dataset was created to provide a cycle-by-cycle time series of readings and settings from instruments and controllable devices of the Booster, Fermilab’s Rapid-Cycling Synchrotron (RCS) operating at 15 Hz. BOOSTR provides a time series from 55 device readings and settings that pertain most directly to the high-precision regulation of the Booster’s gradient magnet power supply (GMPS). To our knowledge, this is one of the first well-documented datasets of accelerator device parameters made publicly available. We are releasing it in the hopes that it can be used to demonstrate aspects of artificial intelligence for advanced control systems, such as reinforcement learning and autonomous anomaly detection.

Kafkes, Diana (ORCID:000000021716463X)↗

Information Guided Exploration of Scalar Values and Isocontours in Ensemble Datasets

Uncertainty of scalar values in an ensemble dataset is often represented by the collection of their corresponding isocontours. Various techniques such as contour-boxplot, contour variability plot, glyphs and probabilistic marching-cubes have been proposed to analyze and visualize ensemble isocontours. All these techniques assume that a scalar value of interest is already known to the user. Not much work has been done in guiding users to select the scalar values for such uncertainty analysis. Moreover, analyzing and visualizing a large collection of ensemble isocontours for a selected scalar value has its own challenges. Interpreting the visualizations of such large collections of isocontours is also a difficult task. In this work, we propose a new information-theoretic approach towards addressing these issues. Using specific information measures that estimate the predictability and surprise of specific scalar values, we evaluate the overall uncertainty associated with all the scalar values in an ensemble system. This helps the scientist to understand the effects of uncertainty on different data features. To understand in finer details the contribution of individual members towards the uncertainty of the ensemble isocontours of a selected scalar value, we propose a conditional entropy based algorithm to quantify the individual contributions. This can help simplify analysis and visualization for systems with more members by identifying the members contributing the most towards overall uncertainty. We demonstrate the efficacy of our method by applying it on real-world datasets from material sciences, weather forecasting and ocean simulation experiments.

59 BASIC BIOLOGICAL SCIENCES↗