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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Metabolic Costs of Walking with Weighted Vests

ABSTRACT Introduction The US Army Load Carriage Decision Aid (LCDA) metabolic model is used by militaries across the globe and is intended to predict physiological responses, specifically metabolic costs, in a wide range of dismounted warfighter operations. However, the LCDA has yet to be adapted for vest-borne load carriage, which is commonplace in tactical populations, and differs in energetic costs to backpacking and other forms of load carriage. Purpose The purpose of this study is to develop and validate a metabolic model term that accurately estimates the effect of weighted vest loads on standing and walking metabolic rate for military mission-planning and general applications. Methods Twenty healthy, physically active military-age adults (4 women, 16 men; age, 26 ± 8 yr old; height, 1.74 ± 0.09 m; body mass, 81 ± 16 kg) walked for 6 to 21 min with four levels of weighted vest loading (0 to 66% body mass) at up to 11 treadmill speeds (0.45 to 1.97 m·s −1 ). Using indirect calorimetry measurements, we derived a new model term for estimating metabolic rate when carrying vest-borne loads. Model estimates were evaluated internally byk-fold cross-validation and externally against 12 reference datasets (264 total participants). We tested if the 90% confidence interval of the mean paired difference was within equivalence limits equal to 10% of the measured walking metabolic rate. Estimation accuracy, precision, and level of agreement were also evaluated by the bias, standard deviation of paired differences, and concordance correlation coefficient (CCC), respectively. Results Metabolic rate estimates using the new weighted vest term were statistically equivalent (P< 0.01) to measured values in the current study (bias, −0.01 ± 0.54 W·kg −1 ; CCC, 0.973) as well as from the 12 reference datasets (bias, −0.16 ± 0.59 W·kg −1 ; CCC, 0.963). Conclusions The updated LCDA metabolic model calculates accurate predictions of metabolic rate when carrying heavy backpack and vest-borne loads. Tactical populations and recreational athletes that train with weighted vests can confidently use the simplified LCDA metabolic calculator provided as Supplemental Digital Content to estimate metabolic rates for work/rest guidance, training periodization, and nutritional interventions.

Sport Sciences↗
DOE OSTI2022

Ultrafast Error-bounded Lossy Compression for Scientific Datasets

Today's scientific high-performance computing applications and advanced instruments are producing vast volumes of data across a wide range of domains, which impose a serious burden on data transfer and storage. Error-bounded lossy compression has been developed and widely used in the scientific community because it not only can significantly reduce the data volumes but also can strictly control the data distortion based on the user-specified error bound. Existing lossy compressors, however, cannot offer ultrafast compression speed, which is highly demanded by numerous applications or use cases (such as in-memory compression and online instrument data compression). In this paper, we propose a novel ultrafast error-bounded lossy compressor that can obtain fairly high compression performance on both CPUs and GPUs and with reasonably high compression ratios. The key contributions are threefold. (1) We propose a generic error-bounded lossy compression framework---called SZx---that achieves ultrafast performance through its novel design comprising only lightweight operations such as bitwise and addition/subtraction operations, while still keeping a high compression ratio. (2) We implement SZx on both CPUs and GPUs and optimize the performance according to their architectures. (3) We perform a comprehensive evaluation with six real-world production-level scientific datasets on both CPUs and GPUs. Experiments show that SZx is 2~16x faster than the second-fastest existing error-bounded lossy compressor (either SZ or ZFP) on CPUs and GPUs, with respect to both compression and decompression.

Yu, Xiaodong↗
DOE OSTI2021

Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) peak intensity normalization for complex mixture analyses

Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) is a preferred technique for analyzing complex organic mixtures. Currently, there is no consensus normalization approach, nor an objective method for selecting one, for quantitative analyses of FT-ICR-MS data. We investigate a method to evaluate and score the amount of bias various normalization approaches introduce into the data. We evaluate the ability of the Statistical Procedure for the Analysis of Normalization Strategies (SPANS) to guide selection of appropriate normalization approaches for two different FT-ICR-MS datasets. Further, we test the robustness of SPANS results to changes in SPANS parameter values and assess the impact of using various normalization approaches on downstream statistical analyses. The normalization approach identified by SPANS differed for the two datasets. Normalization methods impacted the statistical significance of peaks differently, underscoring the importance of carefully evaluating potential methods. More consistent SPANS scores resulted when at least 120 significant peaks are used, where larger sets of peaks were obtained by increasing the p-value threshold. Interestingly, we show that Total Sum Scaling and highest peak normalization, used in previous studies, underperformed relative to SPANS-recommended normalization approaches. While there is no single, best normalization method for all datasets, SPANS provides a mechanism to identify an appropriate normalization method for analyzing FT-ICR-MS data quantitatively. As a result, the number of peaks used in the background distributions of SPANS contributes more significantly to the reproducibility of results than the p-value thresholds used to obtain those peaks.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Evaluation of the Self Retrieval Augmented Generation Technique on Common Security Advisory Framework Data

This small experimental report evaluates a variation of Retrieval Augmented Generation (RAG), called Self-RAG. This method uses a generative language model that incorporates retrieved facts into its generation and is explicitly trained to be able to determine whether retrieved information is enough to answer the input query, with a user-defined threshold for confidence. We performed an experiment using data from the publicly available CISA Common Security Advisory Framework (CSAF) repository (https://github.com/cisagov/CSAF) as the database of facts to be used in retrieval. Qualitative results from the experiment demonstrate that the Self-RAG method has some ability to provide reasonable answers to queries that are in the dataset and will often ignore irrelevant information when asked outside of domain questions (e.g., general facts). In settings with deliberately confusing questions (the question is within domain, but asks about a fabricated advisory), it was able to refuse 40% of the time without further adjustments to the original framework. While this performance is not sufficient for current practical use, further improvements to data formatting, disambiguating results, and leveraging threshold values could improve performance significantly. However, evaluating this will require more extensive evaluations on larger datasets and potentially better models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Model bias in simulating major chemical components of PM 2.5 in China

High concentrations of PM 2.5 (particulate matter with an aerodynamic diameter less than 2.5 µm) in China have caused severe visibility degradation. Accurate simulations of PM 2.5 and its chemical components are essential for evaluating the effectiveness of pollution control strategies and the health and climate impacts of air pollution. In this study, we compared the GEOS-Chem model simulations with comprehensive datasets for organic aerosol (OA), sulfate, nitrate, and ammonium in China. Model results are evaluated spatially and temporally against observations. The new OA scheme with a simplified secondary organic aerosol (SOA) parameterization significantly improves the OA simulations in polluted urban areas, highlighting the important contributions of anthropogenic SOA from semivolatile and intermediate-volatility organic compounds. The model underestimates sulfate and overestimates nitrate for most of the sites throughout the year. More significant underestimation of sulfate occurs in winter, while the overestimation of nitrate is extremely large in summer. The model is unable to capture some of the main features in the diurnal pattern of the PM 2.5 chemical components, suggesting inaccuracies in the presented processes. Potential model adjustments that may lead to a better representation of the boundary layer height, the precursor emissions, hydroxyl radical concentrations, the heterogeneous formation of sulfate and nitrate, and the wet deposition of nitric acid and nitrate have been tested in the sensitivity analysis. The results show that uncertainties in chemistry perhaps dominate the model biases. The proper implementation of heterogeneous sulfate formation and the good estimates of the concentrations of sulfur dioxide, hydroxyl radical, and aerosol liquid water are essential for the improvement of the sulfate simulation. The update of the heterogeneous uptake coefficient of nitrogen dioxide significantly reduces the modeled concentrations of nitrate. However, the large overestimation of nitrate concentrations remains in summer for all tested cases. The possible bias in the chemical production and the wet deposition of nitrate cannot fully explain the model overestimation of nitrate, suggesting issues related to the atmospheric removal of nitric acid and nitrate. A better understanding of the atmospheric nitrogen budget, in particular, the role of the photolysis of particulate nitrate, is needed for future model developments. Moreover, the results suggest that the remaining underestimation of OA in the model is associated with the underrepresented production of SOA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Macro-physical Properties of Shallow Cumulus from Integrated ARM Observations (Final Report)

Fair-weather shallow cumuli (ShCu) play an important role in many climate-related processes. Irregular geometry of ShCu and their strong temporal and spatial variability make it challenging to observe ShCu holistically and to represent them correctly in climate models. To improve ShCu parameterizations, information on both vertically and horizontally resolved cloud properties is required. Commonly, the vertically resolved cloud properties are provided by zenith pointing lidar-radar observations with a very narrow field of view (FOV). Thus, these “pencil-beam” properties may not be representative of a larger surrounding area. Limited number of areal-averaged cloud properties, such as fractional sky cover (FSC), are offered typically by wide-FOV observations. The main goal of our project was to integrate advantages of the narrow-FOV (vertical structure of clouds) and wide-FOV (spatial arrangement of clouds) observations for an improved characterization of single-layer ShCu observed at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site for an 18-yr period (2000-2017). There are four major accomplishments of our project, First, an updated operational cloud classification for days with ShCu has been suggested and evaluated through a detailed comparison with the manually curated records. Our classification extends successfully the latest ARM cloud type Value Added Product (VAP) based on the Active Remote Sensing of Clouds (ARSCL) cloud product by incorporating both cloud fraction (CF) provided by narrow-FOV ceilometer data and FSC from wide-FOV images offered by a Total Sky Imager (TSI). Moreover, our classification allows one to identify impact of instrumentation changes at the SGP site, namely the transition to KAZRARSCL with the updated cloud radar, on the identification of periods with single-layer ShCu. Second, a new approach that resolves cloud area distributions for a given region (up to 4x4 km 2 ) has been suggested and cloud equivalent diameters (CEDs) have been estimated for the first time. These estimations have been performed over a wide range of cloud sizes (about 0.01–3.5 km) with high temporal resolution (30s) using wide-FOV TSI images and cloud base height (CBH) provided by complementary narrow-FOV lidar measurements. Our simple and computationally inexpensive approach offers a previously unavailable dataset for process studies in the convective boundary layer and evaluation of ShCu parameterizations in cloud-resolving models. Third, a long-term integrated record of ShCu macrophysical properties has been developed. The developed record represents the longest available compilation of events with ShCu and includes (i) a novel visualization of the spatial variability in cloud cover both along- and across-wind directions, (ii) updated estimates of narrow-FOV CF and wide-FOV FSC, (iii) updated narrow-FOV CBH, and (iv) complementary data, such as wind speed and direction from the 915-MHz Radar Wind Profiler (RWP) data. The developed record has been used successfully to assess conventional observational estimates of cloud cover and their sensitivity to the following two factors: (i) instrument-dependent cloud detection and data merging criteria and (ii) FOV configuration. Fourth, co-variability of the ShCu macrophysical properties and environmental parameters has been analyzed for a 3-yr period (2016-2018). Our initial analysis includes diurnal changes of FSCs obtained for clouds with small, moderate and large CEDs and several environmental parameters, such as lifted condensation level (LCL) and mixed layer height (zi). Preliminary results of our analysis suggest that the horizontal extent of ShCu is controlled substantially by the sign and magnitude of difference between these two parameters (zi-LCL): the CED tends to grow with increase of this difference (zi exceeds LCL). We have initiated relationships between the ShCu and key atmospheric parameters that control both the development and evolution of ShCu using our new data product, which combines effectively the advantages of narrow-FOV data offered by zenith pointing cloud radars and lidars and wide-FOV TSI images. While the latest instrumentation at the ARM sites may address these challenging relationships in the future, we believe that the historical ARM data at the SGP site has not yet been fully utilized. Overall, our data product can be used by researchers working on a wide range of climate-related projects. These projects may include (i) a comprehensive evaluation of outputs from the Large-Eddy Simulation (LES) and single-column models for their future improvement, (ii) the representativeness of “short-period” results obtained from the previous model and observational studies and (iii) the planning of future field campaigns with focus on improved understanding of the diurnal cycle of cumulus convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Lab Homes

This dataset includes processed data from the Lab Homes (LH) Test Facility located on the PNNL campus in Richland, WA. This a set of 2 identical homes that allow for the side-by-side comparison/performance evaluation of different technologies under the same weather at any given time. The dataset spans December 6, 2021 to December 27, 2021 and represents a series of tests performed; calibration, set-point excitation, pre-heating, free-floating and warm up. The measurements correspond to whole building electrical power, HVAC energy use, water heating, appliances and lighting, as well as space temperatures, space humidity, window glass surface temperatures, through glass solar radiation, and meterological data from an onsite meteorological weather station. In addition to the measurements, a metadata .json file, a .ttl file to visualize the data as per BRICK schema, and a detailed .pdf description of the dataset are also provided.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Systematic and objective evaluation of Earth system models: PCMDI Metrics Package (PMP) version 3

Systematic, routine, and comprehensive evaluation of Earth system models (ESMs) facilitates benchmarking improvement across model generations and identifying the strengths and weaknesses of different model configurations. By gauging the consistency between models and observations, this endeavor is becoming increasingly necessary to objectively synthesize the thousands of simulations contributed to the Coupled Model Intercomparison Project (CMIP) to date. The Program for Climate Model Diagnosis and Intercomparison (PCMDI) Metrics Package (PMP) is an open-source Python software package that provides quick-look objective comparisons of ESMs with one another and with observations. The comparisons include metrics of large- to global-scale climatologies, tropical inter-annual and intra-seasonal variability modes such as the El Niño–Southern Oscillation (ENSO) and Madden–Julian Oscillation (MJO), extratropical modes of variability, regional monsoons, cloud radiative feedbacks, and high-frequency characteristics of simulated precipitation, including its extremes. The PMP comparison results are produced using all model simulations contributed to CMIP6 and earlier CMIP phases. An important objective of the PMP is to document the performance of ESMs participating in the recent phases of CMIP, together with providing version-controlled information for all datasets, software packages, and analysis codes being used in the evaluation process. Among other purposes, this also enables modeling groups to assess performance changes during the ESM development cycle in the context of the error distribution of the multi-model ensemble. Quantitative model evaluation provided by the PMP can assist modelers in their development priorities. In this paper, we provide an overview of the PMP, including its latest capabilities, and discuss its future direction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Industrial control system device classification using network traffic features and neural network embeddings

Characterization of modern cyber–physical Industrial Control System (ICS) devices is critical to the evaluation of their security posture and an understanding of the underlying industrial processes with which they interact. In this work, we address two related ICS device identification tasks: (1) separating ICS from non-ICS devices and (2) identifying specific ICS device types. We propose two distinct methods (one based on the existing IP2Vec method, and a novel traffic-features-based method) for achieving the first task. For transferability of the first task between two datasets, the traffic-features-based method performs significantly better (75% overall accuracy) compared to IP2Vec (22.5% overall accuracy). We further propose a novel method called DNP2Vec to address the second task. DNP2Vec is evaluated on two different datasets and achieves perfect multi-class classification accuracy (100%) for both datasets.

42 ENGINEERING↗
DOE OSTI2024

Ecological Benchmark for Radionuclides

The Ecological Benchmark Tool for radionuclides dataset serves as a comprehensive repository of benchmarks designed to assess ecological risks at contaminated sites. This tool facilitates the evaluation of various environmental media and contaminants, supporting regulatory compliance and ecological protection. Benchmarks are available for sediment, soil, and surface water. The dataset also provides species-specific benchmarks for fish, plants, birds, mammals, and invertebrates. Users can select benchmark sources, media, individual radionuclides, and retrieve results in tabular or spreadsheet formats for analysis. Benchmarks are derived from authoritative sources, including government agencies, scientific councils, and academic publications. The dataset supports ecological risk assessments, regulatory decision-making, and environmental planning, with tools for benchmarking against radiological thresholds, sensitive species protection, and habitat impact evaluations. This structured approach ensures a robust evaluation of ecological risks tailored to site-specific and regulatory needs.

Stewart, Debra [Oak Ridge National Laboratory (ORN↗
DOE OSTI2024

Data Driven Commercial Building Energy Code Compliance and Technology Inventory for New York City

Building Performance Standards (BPS) are gaining national traction. A BPS will require new processes in the design, construction, and operation of buildings that take the occupants into account and enable predictive analysis to ensure compliance with current and future GHG emissions caps. In New York City, most buildings over 25,000 square feet will be regulated by a BPS starting in 2024, regardless of whether it is new construction permitted under current energy codes or an existing building. This research is one of the first to begin the evaluation of a long-term series of building policies in the context of an open data ecosystem, in cooperation with city agencies. Existing building policies enacted in NYC have ranged from building energy benchmarking and labeling to energy audits to the regulation of GHG emission in buildings. Through the development of a dataset related to building technologies and energy consumption, this project can help to evaluate if meaningful conclusions can be drawn for the data that has been largely self-reported in compliance with city regulations. This project will also provide lessons learned from a deep dive into these types of datasets to provide best practices for municipalities or states seeking to embark on policies like those enacted in NYC. In addition, a Building Automation System (BAS) Stretch Standard of Care (SSOC) for owners, designers, and building operators will enable the measurement and predictive analysis of energy consumption and GHG emissions at the plant, system, or component level, in anticipation of regulated GHG limits on buildings based on energy use. The SSOC is expected to be suitable for use on a national level. The primary feature of an SSOC is a standardized format for a set of BAS points that can be used to control and to gather data from individual plants, systems, or components that are related to building energy consumption. This project examined how measurements compare to prescriptive or simulation-based energy code targets, finding little correlation between predictive 8760-hour energy modeling and actual energy consumption for a small sample (n=27) of buildings constructed after 2015. Other analysis found that, while large multifamily housing (MFH) buildings showed a general trend similar to predicted reductions in energy use from the implementation of model commercial energy codes, this trend was not evident in the office, K-12 school, and hotel use groups in NYC. No upward or downward trends in energy consumption were found when buildings were grouped by size. Energy audit data were analyzed and it appears that there is bias by audit company on measures recommended to clients. Further research should be performed to cross-analyze this with other attributes, such as building size, vintage, and number of stories. Analysis found that for 281 buildings that were permitted and completed after 2015 and had submitted benchmarking data in 2022, between 81% and 96% (by use group) were found to be in compliance with the 2024 to 2029 NYC BPS emission caps, and between 55% and 89% were in compliance with the 2030-2034 caps. This work is beneficial to the public in helping policymakers and building stakeholders better understand the wide-ranging implications of a BPS.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Low-Temperature Geothermal Play Fairway Analysis for the Denver Basin: Preprint

This project is part of a national initiative to showcase the benefits of incorporating low-temperature geothermal resource assessment into the deployment of geothermal heating and cooling (GHC), combined heat and power (CHP), and geothermal direct use (GDU) technologies. The initiative was established to accelerate the country's decarbonization efforts by identifying potential for low-temperature geothermal resource utilization (< 150 Degrees Celsius, i.e., GHC, CHP, and GDU) in selected sedimentary basins with numerous population centers. The Play Fairway Analysis (PFA) methodologies in this study were adapted from previous PFA investigations of sedimentary basin geothermal play types (SBGPTs) that evaluated the potential for low-temperature resources (< 150 Degrees Celsius). Workflows, relevant datasets, python code, common and composite geological criteria maps are utilized to develop low-temperature geothermal resource favorability maps for the Denver Basin, a sedimentary basin spanning Colorado, Nebraska, and Wyoming. The replication of these methodologies in other SBGPTs can evaluate potential for low-temperature resources. To facilitate future assessment of low-temperature geothermal resources in SBGPTs, this project provides PFA workflows, data, tools, and favorability maps that will ultimately support the utilization of low-temperature geothermal resources in sedimentary basins.

Denver Basin↗
DOE OSTI2024

A Million Person Study Innovation: Evaluating Cognitive Impairment and other Morbidity Outcomes from Chronic Radiation Exposure Through Linkages with the Centers for Medicaid and Medicare Services Assessment and Claims Data

Here, the study of One Million U.S. Radiation Workers and Veterans, the Million Person Study (MPS), examines the health consequences, both cancer and non-cancer, of exposure to ionizing radiation received gradually over time. Recently the MPS has focused on mortality patterns from neurological and behavioral conditions, e.g., Parkinson's disease, Alzheimer's disease, dementia, and motor neuron disease such as amyotrophic lateral sclerosis. A fuller picture of radiation-related late effects comes from studying both mortality and the occurrence (incidence) of conditions not leading to death. Accordingly, the MPS is identifying neurocognitive diagnoses from fee-for-service insurance claims from the Centers for Medicare and Medicaid Services (CMS), among Medicare beneficiaries beginning in 1999 (the earliest date claims data are available). Linkages to date have identified ∼540,000 workers with available health information. Such linkages provide individual information on important co-factor and confounding variables such as smoking, alcohol consumption, blood pressure, obesity, diabetes and many other health and demographic characteristics. The total person-level set of time-dependent variables, outcomes, organ-specific dose measures, co-factors, and demographics will be massive and much too large to be evaluated with standard software. Thus, development of specialized open-source software designed for large datasets (Colossus) is nearly complete. The wealth of information available from CMS claims data, coupled with individual dose reconstructions, will thus greatly enhance the quality and precision of health evaluations for this new field of low-dose radiation and neurocognitive effects.

Dauer, Lawrence T.↗
DOE OSTI2020

Automating the interpretation of PM 2.5 time–resolved measurements using a data–driven approach

The rapid development of automated measurement equipment enables researchers to collect greater quantities of time-resolved data from indoor and outdoor environments. While significant, the interpretation of the resulting data can be a time-consuming effort. This paper introduces an automated process of interpreting PM 2.5 time-resolved data and differentiating PM 2.5 emissions resulting from indoor and outdoor sources. Here, we use Random Forest (RF), a machine learning approach, to study a dataset of 836 indoor emission events that occurred over a 2-week period in 18 apartments in California. In this paper, we show model development and evaluate its performance as the sample size and source vary. We discuss the characteristics of the dataset that tended to help the source identification and why. For example, we show that data from many events and from different apartments are essential for the model to be suitable for analyzing a new separate dataset. We also show that longitudinal data appear to be more helpful than the time frequency of measurements within a given apartment. We use the resulting RF model to analyze PM 2.5 data of an entirely separate dataset collected from 65 new homes in California. The RF model identifies 442 indoor emission events, with only a few misidentifications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

The E3SM Diagnostics Package (E3SM Diags v2.7): a Python-based diagnostics package for Earth system model evaluation

Abstract. The E3SM Diagnostics Package (E3SM Diags) is a modern, Python-based Earth system model (ESM) evaluation tool (with Python module name e3sm_diags), developed to support the Department of Energy (DOE) Energy Exascale Earth System Model (E3SM). E3SM Diags provides a wide suite of tools for evaluating native E3SM output, as well as ESM data on regular latitude–longitude grids, including output from Coupled Model Intercomparison Project (CMIP) class models. E3SM Diags is modeled after the National Center for Atmospheric Research (NCAR) Atmosphere Model Working Group (AMWG, 2022) diagnostics package. In its version 1 release, E3SM Diags included a set of core essential diagnostics to evaluate the mean physical climate from model simulations. As of version 2.7, more process-oriented and phenomenon-based evaluation diagnostics have been implemented, such as analysis of the quasi-biennial oscillation (QBO), the El Niño–Southern Oscillation (ENSO), streamflow, the diurnal cycle of precipitation, tropical cyclones, ozone and aerosol properties. An in situ dataset from DOE's Atmospheric Radiation Measurement (ARM) program has been integrated into the package for evaluating the representation of simulated cloud and precipitation processes. This tool is designed with enough flexibility to allow for the addition of new observational datasets and new diagnostic algorithms. Additional features include customizable figures; streamlined installation, configuration and execution; and multiprocessing for fast computation. The package uses an up-to-date observational data repository maintained by its developers, where recent datasets are added to the repository as they become available. Finally, several applications for the E3SM Diags module were introduced to fit a diverse set of use cases from the scientific community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

On the effectiveness of neural operators at zero-shot weather downscaling

Machine-learning (ML) methods have shown great potential for weather downscaling. These data-driven approaches provide a more efficient alternative for producing high-resolution weather datasets and forecasts compared to physics-based numerical simulations. Neural operators, which learn solution operators for a family of partial differential equations, have shown great success in scientific ML applications involving physics-driven datasets. Neural operators are grid-resolution-invariant and are often evaluated on higher grid resolutions than they are trained on, i.e., zero-shot super-resolution. Given their promising zero-shot super-resolution performance on dynamical systems emulation, we present a critical investigation of their zero-shot weather downscaling capabilities, which is when models are tasked with producing high-resolution outputs using higher upsampling factors than are seen during training. To this end, we create two realistic downscaling experiments with challenging upsampling factors (e.g., 8x and 15x) across data from different simulations: the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5) and the Wind Integration National Dataset Toolkit. While neural operator-based downscaling models perform better than interpolation and a simple convolutional baseline, we show the surprising performance of an approach that combines a powerful transformer-based model with parameter-free interpolation at zero-shot weather downscaling. We find that this Swin-Transformer-based approach mostly outperforms models with neural operator layers in terms of average error metrics, whereas an Enhanced Super-Resolution Generative Adversarial Network-based approach is better than most models in terms of capturing the physics of the ground truth data. We suggest their use in future work as strong baselines.

17 WIND ENERGY↗
DOE OSTI2021

Long-term hydrological, biogeochemical, and climatological data from Walker Branch Watershed, East Tennessee, USA

In 1967, the original Walker Branch Watershed (WBW) project was established to study elemental cycling and mass balances in a relatively unimpacted watershed. Over the next 50+ years, findings from additional experimental studies and long-term observations on WBW advanced understanding of catchment hydrology, biogeochemistry, and ecology and established WBW as a seminal site for catchment science. The 97.5-ha WBW is located in East Tennessee, USA, on the U.S. Department of Energy's Oak Ridge Reservation. Vegetation on the watershed is characteristic of an eastern deciduous, second-growth forest. The watershed is divided into two subcatchments: the West Fork (38.4 ha) and the East Fork (59.1 ha). Headwater streams draining these subcatchments are fed by multiple springs, and thus flow is perennial. Stream water is high in base cations due to weathering of dolomite bedrock and nutrient concentrations are low. Long-term observations of climate, hydrology, and biogeochemistry include daily (1969–2014) and 15-min (1994–2014) stream discharge and annual runoff (1969–2014); hourly, daily, and annual rainfall (1969–2012); daily climate and soil temperature (1993–2010); and weekly stream water chemistry (1989–2013). These long-term datasets are publicly available on the WBW website (https://walkerbranch.ornl.gov/long-term-data/). While collection of these data has ceased, related long-term measurements continue through the National Ecological Observatory Network (NEON), where WBW is the core terrestrial and aquatic site in the Appalachian and Cumberland Plateau region (NEON's Domain 7) of the United States. These long-term datasets have been and will continue to be important in evaluating the influence of climatic and environmental drivers on catchment processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high‐resolution mass spectrometry data across a freshwater stream network

Abstract Advancing our understanding of dissolved organic matter (DOM) chemistry in aquatic systems necessitates the integration of data streams from multiple analytical platforms. Some measurements require pretreatment with solid phase extraction (SPE), while others are performed directly on whole water samples. Evidence has suggested that SPE will be biased against select DOM fractions, leading to concerns over the ability to establish data linkages across platforms with variable needs for SPE pretreatment, such as those from optical measurements and those that provide high‐resolution molecular information. Here, we directly addressed this concern by assessing the impact of SPE on DOM optical properties through excitation–emission matrices with parallel factor analysis (PARAFAC) for 47 samples across a stream network within a single watershed reflective of variable DOM sources. PARAFAC data was further paired with molecular information obtained by Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS). A comparison of PARAFAC models first revealed no systematic qualitative differences in major components between whole water DOM and DOM isolated by SPE (SPE‐DOM); however, quantitative biases against select components were observed. Further linkages with FTICR‐MS data revealed that the molecular fingerprint associated with each PARAFAC component was consistent between the whole water DOM and SPE‐DOM. Our results suggest that bulk scale linkages across these analytical platforms could be inferred irrespective of the observed quantitative biases resulting from SPE for samples within this example watershed. This work represents a key step toward the systematic evaluation of linkages between optical and high‐resolution mass spectrometry datasets in freshwater lotic environments.

59 BASIC BIOLOGICAL SCIENCES↗