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DOE OSTI2024

Assessment of fine-tuned large language models for real-world chemistry and material science applications

The current generation of large language models (LLMs) has limited chemical knowledge. Recently, it has been shown that these LLMs can learn and predict chemical properties through fine-tuning. Using natural language to train machine learning models opens doors to a wider chemical audience, as field-specific featurization techniques can be omitted. In this work, we explore the potential and limitations of this approach. We studied the performance of fine-tuning three open-source LLMs (GPT-J-6B, Llama-3.1-8B, and Mistral-7B) for a range of different chemical questions. We benchmark their performances against “traditional” machine learning models and find that, in most cases, the fine-tuning approach is superior for a simple classification problem. Depending on the size of the dataset and the type of questions, we also successfully address more sophisticated problems. The most important conclusions of this work are that, for all datasets considered, their conversion into an LLM fine-tuning training set is straightforward and that fine-tuning with even relatively small datasets leads to predictive models. These results suggest that the systematic use of LLMs to guide experiments and simulations will be a powerful technique in any research study, significantly reducing unnecessary experiments or computations.

Van Herck, Joren↗

DOE OSTI2023

Evaluating Production Implications of Pressure Maintenance in Unconventional Oil and Gas Wells using a Machine Learning Modeling Approach: Case Study in the Permian Basin

This study implements the proprietary machine learning-based model (model) developed under the 2022 study titled “Evaluating the Impact of Proprietary Oil & Gas Data on Machine Learning Model Performance Using a Quasi-Experimental Analytical Approach” for forecasting unconventional oil and gas production using well data from the Permian Basin. The model, developed using an exclusive dataset that includes time series production data from an operator in the Permian Basin, is designed to jointly predict daily oil, gas, and water production for horizontal wells as a function of bottomhole pressure drawdown, spatial placement across the study domain, and well-completion attributes. In this study, the model was explicitly applied to explore its utility to evaluate the impact of varying drawdown strategies on the production forecast of a well in the Permian Basin dataset. Managing pressure drawdown has been identified as a way to improve estimated ultimate recovery (EUR) from unconventional shale wells due to the stress-dependent nature of fractures in shale reservoirs. Research has shown that applying a lower pressure drawdown helps to maintain the reservoir conductivity, resulting in higher productivity over the life of a well. Historic bottomhole pressure data from the well over time was used as a benchmark from which to set more and less aggressive pressure decline rates as bounding modeling cases. All pressure decline rates/strategies were forecasted over 5 years, and the model was used to generate oil, water, and gas prediction over the same timeframe. This report presents the results from the production forecast and discusses potential operational and economic implications, with contrasting perspectives between well productivity and profitability given typical oil and gas economics and the volatility in the oil and gas market.

02 PETROLEUM↗

DOE OSTI2025

EVs@Scale Next-Gen Profiles - Fleet Utilization 2024

As part of the U.S. Department of Energy’s EVs@Scale initiative, the Next-Gen Profiles (NGP) project provides a comprehensive, data-driven analysis of electric vehicle (EV) and electric vehicle supply equipment (EVSE) operations across real-world fleet deployments. This paper presents findings from the NGP’s Fleet Utilization study, which investigates operational behavior and asset usage across seventeen EV fleets and two EVSE fleets, encompassing a wide range of vehicle types and use cases. Data collected from diverse sources—varying in format and temporal resolution—are first reformatted into a unified structure. From this harmonized dataset, a suite of rigorously defined performance metrics is calculated at an hourly cadence, enabling consistent cross-comparison of charging, routing, and other key operational behaviors. Amid rapidly increasing EV adoption and growing demands for energy-efficient fleet operations, the analysis reveals clear utilization trends—including diurnal and weekly activity cycles, differences in short versus long charging session dependencies, and route-specific energy usage patterns. These findings highlight the need for tailored infrastructure strategies and the deployment of advanced energy management systems, such as Distributed Energy Resource Management Systems (DERMS) and Site Energy Management Systems (SEMS), which can optimize charging schedules and mitigate peak loads. By leveraging anonymized, harmonized datasets and standardized metrics, this study offers critical insights into fleet behavior and performance, providing a foundation to improve operational efficiency, reduce costs, and enable the scalable deployment of electrified transportation.

Wells, Landon↗

DOE OSTI2022

Beyond Energy Efficiency: A clustering approach to embed demand flexibility into building energy benchmarking

The intermittency of carbon-free renewables and the demand changes associated with the widespread push for electrifying the transportation and building sectors provides an opportunity for buildings to go beyond energy efficiency and push towards providing demand flexibility to the electricity grid. The duality of energy efficiency and demand flexibility is necessary for success in a sustainable and reliable energy transition. Current building energy benchmarking models are limited in their ability to integrate concepts of demand flexibility and/or utilize granular smart meter data. Thus, current benchmarking methods are focused annual energy usage and fail to incorporate how the time of use of energy consumption impacts emissions in a quickly changing energy grid. Without a more comprehensive view of energy usage and associated real-time emissions, current benchmarking methods are unlikely to realize the full decarbonization potential of buildings. New emerging data streams provide an opportunity to develop a new generation of benchmarking energy models that embed dimensions of energy efficiency, grid interactivity, and demand flexibility into their analysis. In this paper, we propose a four-step method for embedding grid interactivity and demand flexibility into building benchmarking models that utilizes emerging building and time-series electricity data streams. We first engineer features to produce a mix-type dataset that encompasses many attributes of grid-interactive and efficient buildings, and then we apply K-medoids using Gower's Distance to produce peer-group clusters. We apply the method to a case study of 306 primary and secondary schools in southern California, USA. The results show that the method effectively clusters buildings by attributes of demand flexibility and energy efficiency. The clustering results reveal patterns in inefficient building operations and demand inflexibility at the building peer group level. In conclusion, the interpretation of clusters can serve as an integrated energy efficiency and demand flexibility benchmarking model and inform performance-specific policy targeting for buildings that go beyond traditional efficiency measures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Characterizing Families of Spectral Similarity Scores and Their Use Cases for Gas Chromatography–Mass Spectrometry Small Molecule Identification

Metabolomics provides a unique snapshot into the world of small molecules and the complex biological processes that govern the human, animal, plant, and environmental ecosystems encapsulated by the One Health modeling framework. However, this “molecular snapshot” is only as informative as the number of metabolites confidently identified within it. The spectral similarity (SS) score is traditionally used to identify compound(s) in mass spectrometry approaches to metabolomics, where spectra are matched to reference libraries of candidate spectra. Unfortunately, there is little consensus on which of the dozens of available SS metrics should be used. This lack of standard SS score creates analytic uncertainty and potentially leads to issues in reproducibility, especially as these data are integrated across other domains. In this work, we use metabolomic spectral similarity as a case study to showcase the challenges in consistency within just one piece of the One Health framework that must be addressed to enable data science approaches for One Health problems. Here, using a large cohort of datasets comprising both standard and complex datasets with expert-verified truth annotations, we evaluated the effectiveness of 66 similarity metrics to delineate between correct matches (true positives) and incorrect matches (true negatives). We additionally characterize the families of these metrics to make informed recommendations for their use. Our results indicate that specific families of metrics (the Inner Product, Correlative, and Intersection families of scores) tend to perform better than others, with no single similarity metric performing optimally for all queried spectra. This work and its findings provide an empirically-based resource for researchers to use in their selection of similarity metrics for GC-MS identification, increasing scientific reproducibility through taking steps towards standardizing identification workflows.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2012

Newly Released TRMM Version 7 Products, Other Precipitation Datasets and Data Services at NASA GES DISC

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is home of global precipitation product archives, in particular, the Tropical Rainfall Measuring Mission (TRMM) products. TRMM is a joint U.S.-Japan satellite mission to monitor tropical and subtropical (40 S - 40 N) precipitation and to estimate its associated latent heating. The TRMM satellite provides the first detailed and comprehensive dataset on the four dimensional distribution of rainfall and latent heating over vastly undersampled tropical and subtropical oceans and continents. The TRMM satellite was launched on November 27, 1997. TRMM data products are archived at and distributed by GES DISC. The newly released TRMM Version 7 consists of several changes including new parameters, new products, meta data, data structures, etc. For example, hydrometeor profiles in 2A12 now have 28 layers (14 in V6). New parameters have been added to several popular Level-3 products, such as, 3B42, 3B43. Version 2.2 of the Global Precipitation Climatology Project (GPCP) dataset has been added to the TRMM Online Visualization and Analysis System (TOVAS; URL: http://disc2.nascom.nasa.gov/Giovanni/tovas/), allowing online analysis and visualization without downloading data and software. The GPCP dataset extends back to 1979. Version 3 of the Global Precipitation Climatology Centre (GPCC) monitoring product has been updated in TOVAS as well. The product provides global gauge-based monthly rainfall along with number of gauges per grid. The dataset begins in January 1986. To facilitate data and information access and support precipitation research and applications, we have developed a Precipitation Data and Information Services Center (PDISC; URL: http://disc.gsfc.nasa.gov/precipitation). In addition to TRMM, PDISC provides current and past observational precipitation data. Users can access precipitation data archives consisting of both remote sensing and in-situ observations. Users can use these data products to conduct a wide variety of activities, including case studies, model evaluation, uncertainty investigation, etc. To support Earth science applications, PDISC provides users near-real-time precipitation products over the Internet. At PDISC, users can access tools and software. Documentation, FAQ and assistance are also available. Other capabilities include: 1) Mirador (http://mirador.gsfc.nasa.gov/), a simplified interface for searching, browsing, and ordering Earth science data at NASA Goddard Earth Sciences Data and Information Services Center (GES DISC). Mirador is designed to be fast and easy to learn; 2)TOVAS; 3) NetCDF data download for the GIS community; 4) Data via OPeNDAP (http://disc.sci.gsfc.nasa.gov/services/opendap/). The OPeNDAP provides remote access to individual variables within datasets in a form usable by many tools, such as IDV, McIDAS-V, Panoply, Ferret and GrADS; 5) The Open Geospatial Consortium (OGC) Web Map Service (WMS) (http://disc.sci.gsfc.nasa.gov/services/wxs_ogc.shtml). The WMS is an interface that allows the use of data and enables clients to build customized maps with data coming from a different network.

Liu, Zhong↗

DOE OSTI2022

Ice processes in Antarctica: identification via multi-wavelength active and passive measurements and model evaluation (Final Report)

This project is based on new multi-frequency radar observations collected during the AWARE field campaign in 2016 at McMurdo Station by the ARM Mobile facility. Three scientific goals have been achieved. We have developed ice and mixed-phase cloud microphysics retrievals from multi-wavelength radar observations and ancillary observations, generally applicable at ARM sites. These technique generally better characterize the size of the ice crystals, their equivalent water content and the degree of riming better than using single wavelength techniques. We have characterized ice microphysical properties and ice processes via multi-frequency signatures. We have identified a unique mode in the McMurdo dataset appearing at quite cold temperature that we have attributed to riming processes. Triple frequency radar measurements unfortunately were available only for a short period but our work lays the foundation for building climatological and testing their replicability in models. Simultaneously case studies from the AWARE campaign have been exploited to evaluate and improve the NASA GISS ModelE3 climate model, including selection of case studies for combined goals of (i) running side-by-side using large-eddy simulation (LES) and ModelE3 in single-column model (SCM) mode and (ii) fingerprinting cloud processes in multi-wavelength radar observations. The different components of this work have contributed to 15 published papers with two currently under review.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

FERC Licensing Proceeding Environmental Study Determination Letter

This dataset summarized the back-and-forth of study submittals and issuances from Aldrovandi et al. (2021) for seven licensed hydropower projects presented as case studies in Aldrovandi et al. (2021), leveraging information from six of the seven case study projects documented in Pracheil et al. (2019), Sci Tot Env 687: 1245-1260. This information was mined from documents containing information on environmental studies conducted for US federal hydropower licensing. Documents included were found in the FERC eLibrary and was summarized and presented in Aldrovandi et al. (2021). A description of the types of documents used in this dataset can be found in Aldrovandi et al. (2021).

13 HYDRO ENERGY↗

DOE OSTI2021

FERC Licensing Proceeding Environmental Study Life Cycle

13 HYDRO ENERGY↗

DOE OSTI2021

Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities

The execution and analysis of complex experiments are challenged by the vast dimensionality of the underlying parameter spaces. Although an increase in data-acquisition rates should allow broader querying of the parameter space, the complexity of experiments and the subtle dependence of the model function on input parameters remains daunting owing to the sheer number of variables. New strategies for autonomous data acquisition are being developed, with one promising direction being the use of Gaussian process regression (GPR). GPR is a quick, non-parametric and robust approximation and uncertainty quantification method that can be applied directly to autonomous data acquisition. We review GPR-driven autonomous experimentation and illustrate its functionality using real-world examples from large experimental facilities in the USA and France. We introduce the basics of a GPR-driven autonomous loop with a focus on Gaussian processes, and then shift the focus to the infrastructure that needs to be built around GPR to create a closed loop. Finally, the case studies we discuss show that Gaussian-process-based autonomous data acquisition is a widely applicable method that can facilitate the optimal use of instruments and facilities by enabling the efficient acquisition of high-value datasets.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Evaluating the Benefits of Bayesian Hierarchical Methods for Analyzing Heterogeneous Environmental Datasets: A Case Study of Marine Organic Carbon Fluxes

Large compilations of heterogeneous environmental observations are increasingly available as public databases, allowing researchers to test hypotheses across datasets. Statistical complexities arise when analyzing compiled data due to unbalanced spatial sampling, variable environmental context, mixed measurement techniques, and other reasons. Hierarchical Bayesian modeling is increasingly used in environmental science to describe these complexities, however few studies explicitly compare the utility of hierarchical Bayesian models to simpler and more commonly applied methods. Here we demonstrate the utility of the hierarchical Bayesian approach with application to a large compiled environmental dataset consisting of 5,741 marine vertical organic carbon flux observations from 407 sampling locations spanning eight biomes across the global ocean. We fit a global scale Bayesian hierarchical model that describes the vertical profile of organic carbon flux with depth. Profile parameters within a particular biome are assumed to share a common deviation from the global mean profile. Individual station-level parameters are then modeled as deviations from the common biome-level profile. The hierarchical approach is shown to have several benefits over simpler and more common data aggregation methods. First, the hierarchical approach avoids statistical complexities introduced due to unbalanced sampling and allows for flexible incorporation of spatial heterogeneitites in model parameters. Second, the hierarchical approach uses the whole dataset simultaneously to fit the model parameters which shares information across datasets and reduces the uncertainty up to 95% in individual profiles. Third, the Bayesian approach incorporates prior scientific information about model parameters; for example, the non-negativity of chemical concentrations or mass-balance, which we apply here. We explicitly quantify each of these properties in turn. We emphasize the generality of the hierarchical Bayesian approach for diverse environmental applications and its increasing feasibility for large datasets due to recent developments in Markov Chain Monte Carlo algorithms and easy-to-use high-level software implementations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Downscaled hyper-resolution (400 m) gridded datasets of daily precipitation and temperature (2008–2019) for the East–Taylor subbasin (western United States)

Abstract. High-resolution gridded datasets of meteorological variables are needed in order to resolve fine-scale hydrological gradients in complex mountainous terrain. Across the United States, the highest available spatial resolution of gridded datasets of daily meteorological records is approximately 800 m. This work presents gridded datasets of daily precipitation and mean temperature for the East–Taylor subbasin (in the western United States) covering a 12-year period (2008–2019) at a high spatial resolution (400 m). The datasets are generated using a downscaling framework that uses data-driven models to learn relationships between climate variables and topography. We observe that downscaled datasets of precipitation and mean temperature exhibit smoother spatial gradients (while preserving the spatial variability) when compared to their coarser counterparts. Additionally, we also observe that when downscaled datasets are upscaled to the original resolution (800 m), the mean residual error is almost zero, ensuring no bias when compared with the original data. Furthermore, the downscaled datasets are observed to be linearly related to elevation, which is consistent with the methodology underlying the original 800 m product. Finally, we validate the spatial patterns exhibited by downscaled datasets via an example use case that models lidar-derived estimates of snowpack. The presented dataset constitutes a valuable resource to resolve fine-scale hydrological gradients in the mountainous terrain of the East–Taylor subbasin, which is an important study area in the context of water security for the southwestern United States and Mexico. The dataset is publicly available at https://doi.org/10.15485/1822259 (Mital et al., 2021).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Systematic Validation of Ensemble Cloud-Process Simulations using Polarimetric Radar Observations and Simulator over the NASA Wallops Flight Facility

The BiLateral Operational Storm-Scale Observation and Modeling (BLOSSOM) project was initiated to establish a long-term supersite to improve understanding of cloud physical states and processes as well as to support satellite and climate model programs over the WFF site via a bilateral approach of storm-scale observations and process modeling. This study highlights a noble systematic validation framework of the BLOSSOM ensemble cloud-process simulations through mixed-phase, light-rain, and deep-convective precipitation cases. The framework consists of creating a domain-shifted ensemble of large-scale forcing datasets, and configuring and performing cloud-process simulations with three different bulk microphysics schemes. Validation uses NASA S-band dual-POLarimetric radar (NPOL) observations in the form of statistical composites and skill scores via a polarimetric radar simulator and newly developed CfRad Data tool (CfRAD). While the simulations capture the overall structures of the reflectivity composites, polarimetric signals are still poorly simulated, mainly due to a lack of representation of ice microphysics diversity in shapes, orientation distributions, and their complex mixtures. Despite the limitation, this new ensemble-based validation framework demonstrates that 1) no particular forcing or microphysics scheme outperforms the rest and 2) the skill scores of coarse- and fine-resolution ensemble simulations with different domain-shifted forcing and microphysics schemes are highly correlated with each other with no clear improvement. On the other hand, this suggests that coarse-resolution ensemble simulations are relevant for selecting the best meteorological forcing and microphysics scheme before conducting computationally demanding large eddy simulations (LESs) in support of aircraft and satellite instrument development as well as cloud-precipitation-convection parameterizations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Two-Step Hyperparameter Optimization Method: Accelerating Hyperparameter Search by Using a Fraction of a Training Dataset

Abstract Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic—primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms introduces added complexity to the workflow, leading to longer computation times. This poses a notable challenge to ML applications, as suboptimal hyperparameter selections curtail the potential of ML model performance, ultimately obstructing the full exploitation of ML techniques. In this article, we present a two-step HPO method as a strategic solution to curbing computational demands and wait times, gleaned from practical experiences in applied ML parameterization work. The initial phase involves a preliminary evaluation of hyperparameters on a small subset of the training dataset, followed by a reevaluation of the top-performing candidate models postretraining with the entire training dataset. This two-step HPO method is universally applicable across HPO search algorithms, and we argue it has attractive efficiency gains. As a case study, we present our recent application of the two-step HPO method to the development of neural network emulators for aerosol activation. Although our primary use case is a data-rich limit with many millions of samples, we also find that using up to 0.0025% of the data—a few thousand samples—in the initial step is sufficient to find optimal hyperparameter configurations from much more extensive sampling, achieving up to 135× speedup. The benefits of this method materialize through an assessment of hyperparameters and model performance, revealing the minimal model complexity required to achieve the best performance. The assortment of top-performing models harvested from the HPO process allows us to choose a high-performing model with a low inference cost for efficient use in global climate models (GCMs).

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2020

Satellite Sea Surface Salinity Observations Impact on El Niño/Southern Oscillation Predictions: Case Studies from the NASA GEOS Seasonal Forecast System

El Niño/Southern Oscillation (ENSO) has far reaching global climatic impacts and so extending useful ENSO forecasts would have great societal benefit. However, one key variable that has yet to be fully exploited within coupled forecast systems is accurate estimation of near-surface ocean salinity. Satellite sea surface salinity (SSS), combined with temperature, help to improve the estimates of ocean density changes and associated near-surface mixing. For the first time, we assess the impact of satellite SSS observations for improving near-surface dynamics within ocean reanalyses and how these initializations impact dynamical ENSO forecasts using NASA’s coupled forecast system (GEOS-S2S-2). For all initialization experiments, all available sea level and in situ temperature and salinity observations are assimilated. Separate observing system experiments (OSE) additionally assimilate Aquarius, and SMAP, SMOS, and these datasets combined. We highlight the impact of satellite SSS on ocean reanalyses by comparing experiments with and without the application of SSS assimilation. Next, we compare case studies of coupled forecasts for the big 2015 El Niño, the 2017 La Niña, and the weak El Niño in 2018 that are initialized from GEOS-S2S-2 spring reanalyses that assimilate and withhold along-track SSS. For each of these ENSO-event case studies, assimilation of satellite SSS improves the forecast validation with respect to observed NINO3.4 anomalies (or at least reduces the forecast uncertainty). Satellite SSS assimilation improved characterization of the mixed layer depth leading to more accurate coupled air/sea interaction and better forecasts. These results further underline the value of satellite SSS assimilation into operational forecast systems.

Eric Hackert↗

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↗

DOE OSTI2023

Topological structure of complex predictions

Abstract Current complex prediction models are the result of fitting deep neural networks, graph convolutional networks or transducers to a set of training data. A key challenge with these models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into a simplified topological view of the prediction landscape. The result is a map of the predictions that enables inspection of the model results with more specificity than dimensionality-reduction methods such as tSNE and UMAP. The methods scale up to large datasets across different domains. We present a case study of a transformer-based model previously designed to predict expression levels of a piece of DNA in thousands of genomic tracks. When the model is used to study mutations in the BRCA1 gene, our topological analysis shows that it is sensitive to the location of a mutation and the exon structure of BRCA1 in ways that cannot be found with tools based on dimensionality reduction. Moreover, the topological framework offers multiple ways to inspect results, including an error estimate that is more accurate than model uncertainty. Further studies show how these ideas produce useful results in graph-based learning and image classification.

Computer Science↗

NASA NTRS2006

ARISE (Antarctic Remote Ice Sensing Experiment) in the East 2003: Validation of Satellite-derived Sea-ice Data Product

Preliminary results are presented from the first validation of geophysical data products (ice concentration, snow thickness on sea ice (h(sub s) and ice temperature (T(sub i))fr om the NASA EOS Aqua AMSR-E sensor, in East Antarctica (in September-October 2003). The challenge of collecting sufficient measurements with which to validate the coarse-resolution AMSR-E data products adequately was addressed by means of a hierarchical approach, using detailed in situ measurements, digital aerial photography and other satellite data. Initial results from a circumnavigation of the experimental site indicate that, at least under cold conditions with a dry snow cover, there is a reasonably close agreement between satellite- and aerial-photo-derived ice concentrations, i.e. 97.2+/-.6% for NT2 and 96.5+/-2.5% for BBA algorithms vs 94.3% for the aerial photos. In general, the AMSR-E concentration represents a slight overestimate of the actual concentration, with the largest discrepancies occurring in regions containing a relatively high proportion of thin ice. The AMSR-E concentrations from the NT2 and BBA algorithms are similar on average, although differences of up to 5% occur in places, again related to thin-ice distribution. The AMSR-E ice temperature (T(sub i)) product agrees with coincident surface measurements to approximately 0.5 C in the limited dataset analyzed. Regarding snow thickness, the AMSR h(sub s) retrieval is a significant underestimate compared to in situ measurements weighted by the percentage of thin ice (and open water) present. For the case study analyzed, the underestimate was 46% for the overall average, but 23% compared to smooth-ice measurements. The spatial distribution of the AMSR-E h(sub s) product follows an expected and consistent spatial pattern, suggesting that the observed difference may be an offset (at least under freezing conditions). Areas of discrepancy are identified, and the need for future work using the more extensive dataset is highlighted.

Massom, Robert A.↗