Uncertainty estimation and propagation in SIRTF pipelines
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calibrated science products estimating uncertainti↗
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A Framework for Propagation of Uncertainties in the Kepler Data Analysis Pipeline
The Kepler space telescope is designed to detect Earth-like planets around Sun-like stars using transit photometry by simultaneously observing 100,000 stellar targets nearly continuously over a three and a half year period. The 96-megapixel focal plane consists of 42 charge-coupled devices (CCD) each containing two 1024 x 1100 pixel arrays. Cross-correlations between calibrated pixels are introduced by common calibrations performed on each CCD requiring downstream data products access to the calibrated pixel covariance matrix in order to properly estimate uncertainties. The prohibitively large covariance matrices corresponding to the ~75,000 calibrated pixels per CCD preclude calculating and storing the covariance in standard lock-step fashion. We present a novel framework used to implement standard propagation of uncertainties (POU) in the Kepler Science Operations Center (SOC) data processing pipeline. The POU framework captures the variance of the raw pixel data and the kernel of each subsequent calibration transformation allowing the full covariance matrix of any subset of calibrated pixels to be recalled on-the-fly at any step in the calibration process. Singular value decomposition (SVD) is used to compress and low-pass filter the raw uncertainty data as well as any data dependent kernels. The combination of POU framework and SVD compression provide downstream consumers of the calibrated pixel data access to the full covariance matrix of any subset of the calibrated pixels traceable to pixel level measurement uncertainties without having to store, retrieve and operate on prohibitively large covariance matrices. We describe the POU Framework and SVD compression scheme and its implementation in the Kepler SOC pipeline.
Clarke, Bruce D.↗
Characterization of NPP Visible/Infrared Imager Radiometer Suite (VIIRS) Reflective Solar Bands Dual Gain Anomaly
The Visible/Infrared Imager Radiometer Suite (VIIRS) contains six dual gain bands in the reflective solar spectrum. The dual gain bands are designed to switch gain mode at pre-defined thresholds to achieve high resolution at low radiances while maintaining the required dynamic range for science. During pre-launch testing, an anomaly in the electronic response before transitioning from high to low gain was discovered and characterized. On-orbit, the anomaly was confirmed using MODIS data collected during Simultaneous Nadir Overpasses (SNOs). The analysis of the Earth scene data shows that dual gain anomaly can be determined at the orbital basis. To characterize the dual gain anomaly, the anomaly region and electronic offsets were tracked per week during the first 8 month of VIIRS operation. The temporal analysis shows the anomaly region can drift ~20 DN and is impacted by detectors DC Restore. The estimated anomaly flagging regions cover ~2.5 % of the high gain dynamic range and are consistent with prelaunch and on-orbit LUT. The prelaunch results had a smaller anomaly range (30-50 DN) and are likely the results of more stable electronics from the shorter data collection time. Finally, this study suggests future calibration efforts to focus on the anomaly's impact on science products and possible correction method to reduce uncertainties.
Lee, Shihyan↗
FluxSat: Long-term Earth Science Data Record (ESDR) for Terrestrial Gross Primary Production (GPP) based on satellite data calibrated with eddy covariance data
Gross primary production (GPP), the amount of carbon dioxide (CO 2 ) assimilated by plants through photosynthesis, is one of the most variable and uncertain components of the global carbon cycle. Global GPP has been estimated with a number of process-based models, data-driven, and hybrid approaches. Dynamic global vegetation models (DGVMs), driven by observed environmental changes, are used for global carbon budget assessments and long-term (climate) prediction. Benchmarking these and other models globally with data-driven GPP estimates is critical for understanding the land sink and ensuring accurate forecasts of the carbon cycle. In addition, global data-driven GPP estimates are crucial for studies of interannual variability, including trends that are linked to mechanisms with large uncertainties, such as the indirect CO 2 fertilization effect related to greening. In response to a community need for a GPP data set that well captures spatio-temporal variability, we developed FluxSat, a data-driven approach that optimizes the use of satellite reflectance data from the NASA MODerate-resolution Imaging Spectroradiometer (MODIS) on the Terra and Aqua satellites, calibrated using ground-based eddy covariance (EC) data. We are enhancing (spatially, higher resolution) and extending FluxSat (in time, with additional sensors) to create a high quality long term GPP Earth System Data Record (ESDR) for use in model benchmarking, carbon cycle modeling, and studies of trends and interannual variability. Our team’s objectives are to: 1. Update and document the current MODIS FluxSat GPP (daily, 0.05o and 0.5o resolutions) products with latest available MODIS and EC data sets; 2. Extend FluxSat GPP record forward in time with the Visible Infrared Imaging Radiometer Suite (VIIRS) on operational weather satellites going forward; 3. Extend FluxSat GPP record backward in time using the Advanced Very High Resolution Radiometer (AVHRR) on weather satellites dating back to 1981; 4. Provide higher spatial resolution MODIS and VIIRS GPP (0.0083o). 5. Thoroughly evaluate all FluxSat products with independent data; and 6. Create a homogenized long-term GPP record spanning 40+ years. We will discuss plans for this long-term data set that is supported through the NASA Making Earth System Data Records for Use in Research Environments (MEaSUREs) program.
gross Primary Production↗
On-Orbit Radiometric Characterization of OLI (Landsat 8) for Applications in Aquatic Remote Sensing
Landsat-8 carries two separate sensors, namely the Operational Land Imager (OLI) and the Thermal Infrared Radiometer Suite (TIRS), that image the earth surface throughout the visible and thermal portions of the spectrum. Compared to Landsat heritage sensors, the OLI has enhanced features, which include its 12-bit radiometric resolution and the addition of a band centered at 443 nm. The dramatically improved data quality/quantity expands existing applications of Landsat imagery in aquatic sciences from the retrieval of bio-geochemical properties, such as near-surface concentrations of chlorophyll-a (CHL) and total suspended solids (TSS), to benthic mapping. This study offers analysis of OLI's absolute radiometric performance over bodies ofwater using benchmark observations, namely the top-of-atmosphere (TOA) ocean color observations and marine in situ radiometric measurements. Sensor-to-sensor comparisons are performed to derive gain factors (g1) from near-concurrent observations in TOA radiance and reflectance domains. The gains in the radiance domain were further validated/adjusted by determining a second set of gains (g2) via analysis of OLI-derived water-leaving radiance, i.e., L(sub w) (gamma), against in situ measurements made either at the Ocean Color AErosol RObotic NETwork (AERONETOC) sites or during field campaigns. The analyses yield the OLI calibration uncertainties that need to be accounted forwhen studying aquatic environments. Itwas found that, for the visible and near-infrared channels, the OLI radiometric responses, on average, are well in agreement (b 2 % discrepancies) with the TOA radiances estimated by ocean color satellites or those predicted by models based onmeasurements of aquatic and atmospheric properties. However, the TOA radiance at the new 443-nm band is found to be, on average, 3.4 % larger than the reference observations. The inter-sensor comparisons in the reflectance domain, however, indicated slightly different results with the OLI responses being low in the blue bands. To enhance the retrieval accuracy of aquatic-science products from OLI datasets, sets of temporally averaged gains (radiance and reflectance) are derived and recommended for use prior to the retrieval of in-water products.
Remote Sensing↗
SENTRA: A Modular Computational Graph Framework for Critical Mineral and Materials Supply Chains: Part I: Network Construction Latent-Quantity Estimation, and Temporal Graph Forecasting
Global supply chains for critical minerals and materials are complex, evolving networks of countries, products, production stages, and trade relationships. Existing analytical approaches are limited by fragmented data and static network representations that do not capture the dynamic production dependencies linking raw materials, intermediate products, and final goods across multiple countries. Trade and production statistics provide only a partial view of domestic production, inventories, and material flows, making it difficult to identify indirect sourcing pathways, hidden dependencies, and embedded foreign exposures. This paper introduces the Supply Chain Exposure Network Tracking and Risk Assessment (SENTRA) framework, a modular graph-based computational framework for constructing, analyzing, and forecasting dynamic supply chain networks. As the first paper in a three-part methodological series, it establishes the computational foundation of SENTRA by constructing a temporal attributed multi-relational graph whose nodes represent product–country pairs and whose edges encode observed trade and within-country value-chain relationships. Statistical estimation and constrained optimization recover latent production, final demand, and product input dependency coefficients while enforcing economic accounting constraints. Graph-derived exposure measures quantify direct, transshipment, value-chain, and multi-hop supply chain dependencies independently of the forecasting model. A temporal graph forecasting architecture based on a relational graph neural network then forecasts the evolution of the graph under mass-balance constraints with distribution-free conformal uncertainty quantification. Validation on the global aluminum supply chain shows that the learned graph representations recover economically meaningful supply chain structure, accurately forecast out-of-sample trade relationships, and produce well-calibrated prediction intervals. Subsequent papers apply this computational foundation to exposure assessment, disruption analysis, and scenario-based policy analysis, and extend the framework to multimaterial supply chain modeling and decision support.
36 MATERIALS SCIENCE↗
BEYONDPLANCK X. Planck Low Frequency Instrument frequency maps with sample-based error propagation
We present Planck Low Frequency Instrument (LFI) frequency sky maps derived within the BEYONDPLANCK framework. This framework draws samples from a global posterior distribution that includes instrumental, astrophysical, and cosmological parameters, and the main product is an entire ensemble of frequency sky map samples, each of which corresponds to one possible realization of the various modeled instrumental systematic corrections, including correlated noise, time-variable gain, as well as far sidelobe and bandpass corrections. This ensemble allows for computationally convenient end-to-end propagation of low-level instrumental uncertainties into higher-level science products, including astrophysical component maps, angular power spectra, and cosmological parameters. We show that the two dominant sources of LFI instrumental systematic uncertainties are correlated noise and gain fluctuations, and the products presented here support – for the first time – full Bayesian error propagation for these effects at full angular resolution. We compared our posterior mean maps with traditional frequency maps delivered by the Planck Collaboration, and find generally good agreement. The most important quality improvement is due to significantly lower calibration uncertainties in the new processing, as we find a fractional absolute calibration uncertainty at 70 GHz of Δg 0 /g 0 = 5 x 10 -5 , which is nominally 40 times smaller than that reported by Planck 2018. However, we also note that the original Planck 2018 estimate has a nontrivial statistical interpretation, and this further illustrates the advantage of the new framework in terms of producing self-consistent and well-defined error estimates of all involved quantities without the need of ad hoc uncertainty contributions. We describe how low-resolution data products, including dense pixel-pixel covariance matrices, may be produced from the posterior samples directly, without the need for computationally expensive analytic calculations or simulations. We conclude that posterior-based frequency map sampling provides unique capabilities in terms of low-level systematics modeling and error propagation, and may play an important role for future Cosmic Microwave Background (CMB) B-mode experiments aiming at nanokelvin precision.
79 ASTRONOMY AND ASTROPHYSICS↗
Knowledge-informed deep learning for hydrological model calibration: an application to Coal Creek Watershed in Colorado
Abstract. Deep learning (DL)-assisted inverse mapping has shown promise in hydrological model calibration by directly estimating parameters from observations. However, the increasing computational demand for running the state-of-the-art hydrological model limits sufficient ensemble runs for its calibration. In this work, we present a novel knowledge-informed deep learning method that can efficiently conduct the calibration using a few hundred realizations. The method involves two steps. First, we determine decisive model parameters from a complete parameter set based on the mutual information (MI) between model responses and each parameter computed by a limited number of realizations (∼50). Second, we perform more ensemble runs (e.g., several hundred) to generate the training sets for the inverse mapping, which selects informative model responses for estimating each parameter using MI-based parameter sensitivity. We applied this new DL-based method to calibrate a process-based integrated hydrological model, the Advanced Terrestrial Simulator (ATS), at Coal Creek Watershed, CO. The calibration is performed against observed stream discharge (Q) and remotely sensed evapotranspiration (ET) from the water year 2017 to 2019. Preliminary MI analysis on 50 realizations resulted in a down-selection of 7 out of 14 ATS model parameters. Then, we performed a complete MI analysis on 396 realizations and constructed the inverse mapping from informative responses to each of the selected parameters using a deep neural network. Compared with calibration using observations covering all time steps, the new inverse mapping improves parameter estimations, thus enhancing the performance of ATS forward model runs. The Nash–Sutcliffe efficiency (NSE) of streamflow predictions increases from 0.53 to 0.8 when calibrating against Q alone. Using ET observations, on the other hand, does not show much improvement on the performance of ATS modeling mainly due to both the uncertainty of the remotely sensed product and the insufficient coverage of the model ET ensemble in capturing the observation. By using observed Q only, we further performed a multiyear analysis and show that Q is best simulated (NSE > 0.8) by including in the calibration the dry-year flow dynamics that show more sensitivity to subsurface characteristics than the other wet years. Moreover, when continuing the forward runs till the end of 2021, the calibrated models show similar simulation performances during this evaluation period as the calibration period, demonstrating the ability of the estimated parameters in capturing climate sensitivity. Our success highlights the importance of leveraging data-driven knowledge in DL-assisted hydrological model calibration.
54 ENVIRONMENTAL SCIENCES↗
High temporal resolution estimates of Arctic snowfall rates emphasizing gauge and radar-based retrievals from the MOSAiC expedition
This article presents the results of snowfall rate and accumulation estimates from a vertically pointing 35-GHz radar and other sensors deployed during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. The radar-based retrievals are the most consistent in terms of data availability and are largely immune to blowing snow. The total liquid-equivalent accumulation during the snow accumulation season is around 110 mm, with more abundant precipitation during spring months. About half of the total accumulation came from weak snowfall with rates less than approximately 0.2 mmh–1. The total snowfall estimates from a Vaisala optical sensor aboard the icebreaker are similar to those from radar retrievals, though their daily and monthly accumulations and instantaneous rates varied significantly. Compared to radar retrievals and the icebreaker optical sensor data, measurements from an identical optical sensor at an ice camp are biased high. Blowing snow effects, in part, explain differences. Weighing gauge measurements significantly overestimate snowfall during February–April 2020 as compared to other sensors and are not well suited for estimating instantaneous snowfall rates. The icebreaker optical disdrometer estimates of snowfall rates are, on average, relatively little biased compared to radar retrievals when raw particle counts are available and appropriate snowflake mass-size relations are used. These counts, however, are not available during periods that produced more than a third of the total snowfall. While there are uncertainties in the radar-based retrievals due to the choice of reflectivity-snowfall rate relations, the major error contributor is the uncertainty in the radar absolute calibration. The MOSAiC radar calibration is evaluated using comparisons with other radars and liquid water cloud–drizzle processes observed during summer. Overall, this study describes a consistent, radar-based snowfall rate product for MOSAiC that provides significant insight into Central Arctic snowfall and can be used for many other purposes.
54 ENVIRONMENTAL SCIENCES↗
Optimizing process-based models to predict current and future soil organic carbon stocks at high-resolution
From hillslope to small catchment scales (< 50 km 2 ), soil carbon management and mitigation policies rely on estimates and projections of soil organic carbon (SOC) stocks. Here we apply a process-based modeling approach that parameterizes the MIcrobial-MIneral Carbon Stabilization (MIMICS) model with SOC measurements and remotely sensed environmental data from the Reynolds Creek Experimental Watershed in SW Idaho, USA. Calibrating model parameters reduced error between simulated and observed SOC stocks by 25%, relative to the initial parameter estimates and better captured local gradients in climate and productivity. The calibrated parameter ensemble was used to produce spatially continuous, high-resolution (10 m 2 ) estimates of stocks and associated uncertainties of litter, microbial biomass, particulate, and protected SOC pools across the complex landscape. Here, subsequent projections of SOC response to idealized environmental disturbances illustrate the spatial complexity of potential SOC vulnerabilities across the watershed. Parametric uncertainty generated physicochemically protected soil C stocks that varied by a mean factor of 4.4 × across individual locations in the watershed and a – 14.9 to + 20.4% range in potential SOC stock response to idealized disturbances, illustrating the need for additional measurements of soil carbon fractions and their turnover time to improve confidence in the MIMICS simulations of SOC dynamics.
54 ENVIRONMENTAL SCIENCES↗
Assessing the Uncertainty Impact of CERES Fast Longwave and SHortwave Radiative Flux (FLASHFlux) Level 3 Product With and Without Terra Observations
The Clouds and Earth’s Radiant Energy System (CERES) project provides satellite-based observations of how Earth’s energy flows are varying in time and space and how clouds and aerosols are affecting the Earth’s radiation budget. Nominally, CERES data products require months of validation and calibration before releasing a climate quality data. The Fast Longwave And SHortwave radiative Flux (FLASHFlux) data product was developed to provide data for applied science research involving the renewable energy and agricultural sectors within a week of observation. FLASHFlux achieves this by using simplified calibration, an operational meteorological product from Global Monitoring and Assimilation Office (GMAO), and a surface parameterizations model. The CERES FLASHFlux provides two data products: 1) an hourly Level 2 Single Scanner Footprint (SSF) data separately for Terra and NOAA-20 observations. 2) a daily Level 3 Time Interpolated and Spatially Averaged (TISA) gridded data that combines NOAA-20 and Terra observations on a one-degree equal angle grid. FLASHFlux TISA data product interpolate on a diurnal model that assumes a satellite equilateral crossing time of 10:30 AM and 1:30 PM from Terra and Aqua, respectively. Aqua was replaced by NOAA-20 starting on September 2022. Terra is planned to be replace by the Satellite ClOud and Radiation Property retrieval System (SatCORPS) soon. We are currently using the Terra observations as it continues to drift. We assess the impact of FLASHFlux TISA data when Terra is removed. An uncertainty estimate of the Top-Of-Atmosphere (TOA) fluxes are given of FLASHFlux Version4A (before Terra drift) and Version4B (current), and Version4B (no Terra) in comparison to the CERES EBAF and SYN1deg. In addition, we compare FLASHFlux Version4B and Version4B (no Terra) surface radiative fluxes to ground base measurements to determine the impact of running without Terra data.
PC Sawaengphokhai↗
Extending the Nuclide Inventory Validation Basis for High-Burnup Fuel with New Radiochemical Assay Data
Efforts are underway at Oak Ridge National Laboratory to improve the nuclide inventory validation basis for spent nuclear fuel at high burnups. Recently conducted radiochemical assay experiments provided new measurement data for nine samples of fuel irradiated in a pressurized water reactor, with estimated sample burnups in the 30 to 70 GWd/t range. This type of destructive assay data is essential for validating computational methods, tools, and nuclear data applied in nuclear safety analyses and for improving our understanding of the bias and uncertainty in code predictions. The measurement data include key actinides and fission products that span a gamut of needs and interests for nuclear science and engineering applications in criticality safety, reactor physics, nuclide inventory, decay heat, and radiation shielding. The SCALE 6.3 code system with ENDF/B-VII.1 cross-section libraries was used to simulate the irradiation histories of the measured fuel samples. The calculated nuclide concentrations are compared to corresponding measurement data. The significance of the comparisons is discussed, emphasizing how the addition of the new measurement data fills gaps in the validation basis at high burnups and contributes to the decrease in bias and uncertainty for predicted nuclide concentrations. The discussion addresses the effect of the sample burnup used in the simulation—which is based on reactor operator records or on calibration to measured data for burnup indicator fission products—on the validation results.
Nuclide inventory↗
Cutting out the middleman: calibrating and validating a dynamic vegetation model (ED2-PROSPECT5) using remotely sensed surface reflectance
Canopy radiative transfer is the primary mechanism by which models relate vegetation composition and state to the surface energy balance, which is important to light- and temperature-sensitive plant processes as well as understanding land–atmosphere feedbacks. In addition, certain parameters (e.g., specific leaf area, SLA) that have an outsized influence on vegetation model behavior can be constrained by observations of shortwave reflectance, thus reducing model predictive uncertainty. Importantly, calibrating against radiative transfer outputs allows models to directly use remote sensing reflectance products without relying on highly derived products (such as MODIS leaf area index) whose assumptions may be incompatible with the target vegetation model and whose uncertainties are usually not well quantified. Here, we created the EDR model by coupling the two-stream representation of canopy radiative transfer in the Ecosystem Demography model version 2 (ED2) with a leaf radiative transfer model (PROSPECT-5) and a simple soil reflectance model to predict full-range, high-spectral-resolution surface reflectance that is dependent on the underlying ED2 model state. We then calibrated this model against estimates of hemispherical reflectance (corrected for directional effects) from the NASA Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and survey data from 54 temperate forest plots in the northeastern United States. The calibration significantly reduced uncertainty in model parameters related to leaf biochemistry and morphology and canopy structure for five plant functional types.
54 ENVIRONMENTAL SCIENCES↗
Assessing the nexus between groundwater and solar energy plants in a desert basin with a dual-model approach under uncertainty
Globally, many solar power plants and other types of renewable energy are being located in water-scarce regions. Many projects rely on groundwater resources whose sustainability is uncertain. In the Chuckwalla Basin in California, quantification of recharge and trans-valley underflow is needed to estimate the impacts of solar project withdrawals on the water table. However, such estimates are highly challenging due to data scarcity, heterogeneous soils and long residence times. Conventional assessment employs isolated groundwater models configured with crude and uniform estimates of recharge. Here, we employ a data-constrained surface subsurface processes model, PAWS+CLM, to provide an ensemble of recharges and underflows with perturbed parameters. Then, the Parameter Estimation (PEST) package is used to calibrate MODFLOW aquifer conductivity and filter out implausible recharges. The novel dual-model approach, potentially applicable in other arid regions, can effectively assimilate groundwater head observations, reject unrealistic parameters, and narrow the range of estimated drawdowns. Simulated recharge concentrates along alluvial fans at the mountain fronts and ephemeral washes where run-off water infiltrates. If an evenly distributed recharge was assumed, it resulted in under-estimated drawdown and larger uncertainty bounds. The withdrawals are approaching total inflow, suggesting the system will be nearing, if not exceeding, its sustainable groundwater production capacity, and a boom of such projects will not be sustainable. Especially, the cost/benefit of pumped-storage projects is called into question as the initial-fill phase depletes entire area’s recharge. Our study highlights the stress on groundwater resources of solar development, and that the speed of groundwater recovery does not indicate sustainability. Main point 1: A novel dual model approach, involving an integrated surface/subsurface model and a groundwater parameter-estimation model, was able to better constrain the model. Main point 2: The groundwater system may be nearing, if not exceeding, its sustainable groundwater production capacity and the speed of recovery is not indicative of sustainability. Main point 3: Results from using conventionally-assumed uniform recharge distort calibrated K fields and impacts assessment
14 SOLAR ENERGY↗
Toward Long-Term Aquatic Science Products from Heritage Landsat Missions
This paper aims at generating a long-term consistent record of Landsat-derived remote sensing reflectance (Rrs) products, which are central for producing downstream aquatic science products (e.g., concentrations of total suspended solids). The products are derived from Landsat-5 and Landsat-7 observations leading to Landsat-8 era to enable retrospective analyses of inland and nearshore coastal waters. In doing so, the data processing was built into the SeaWiFS Data Analysis System (SeaDAS) followed by vicariously calibrating Landsat-7 and -5 data using reference in situ measurements and near-concurrent ocean color products, respectively. The derived Rrs products are then validated using (a) matchups using the Aerosol Robotic Network (AERONET) data measured by in situ radiometers, i.e., AERONET-OC, and (b) ocean color products at select sites in North America. Following the vicarious calibration adjustments, it is found that the overall biases in Rrs products are significantly reduced. The root-mean-square errors (RMSE), however, indicate noticeable uncertainties due to random and systematic noise. Long-term (since 1984) seasonal Rrs composites over 12 coastal and inland systems are further evaluated to explore the utility of Landsat archive processed via SeaDAS. With all the qualitative and quantitative assessments, it is concluded that with careful algorithm developments, it is possible to discern natural variability in historic water quality conditions using heritage Landsat missions. This requires the changes in Rrs exceed maximum expected uncertainties, i.e., 0.0015 [1/sr], estimated from mean RMSEs associated with the matchups and intercomparison analyses. It is also anticipated that Landsat-5 products will be less susceptible to uncertainties in turbid waters with Rrs(660) > 0.004 [1/sr], which is equivalent of ~1.2% reflectance. Overall, end-users may utilize heritage Rrs products with "fitness-for-purpose" concept in mind, i.e., products could be valuable for one application but may not be viable for another. Further research should be dedicated to enhancing atmospheric correction to account for non-negligible near-infrared reflectance in CDOM-rich and extremely turbid waters.
Pahlevan, Nima↗
Argonne’s global critical materials agent-based model (GCMat)
Several studies have identified rare earths as critical materials. Although reasonably abundant in the Earth’s crust, rare earths typically occur in low concentrations of mined ores. Processes for recovering rare earth concentrates from these ores are complex and capital intensive. Further, lead times for deposit development, licensing, and construction are long, with reports of 10- 15 years. China is a major player in the rare earths supply chain, both in production capacity and technology innovation. In 2017, China supplied more than 80% of global rare earth oxide demand. Rare earth elements (REEs) have unique magnetic, catalytic, and phosphorescent properties that significantly improve performance of a wide range of technologies. These technologies span aerospace, energy, telecommunications, electronics, transportation, defense, and other diverse applications. Consequently, disruptions in rare earth supply can have a significant societal impact. Estimating that impact requires understanding of the dynamics across the supply chain, from rare earth oxide extraction to end use application. This report documents Argonne’s Global Critical Materials model (GCMat), first described by Riddle et al. 2015. GCMat provides capabilities to explore supply chain dynamics and uncertainty under scenarios of demand growth or shrinkage, technology adoption, supply disruptions, and trade policies and mitigation strategies of new supply sources, product substitution, consumer thrifting, and stockpiling. Supply chain participants from rare earth mining through final demand are modeled as interacting agents who make market decisions independently as time progresses. Since the version documented in Riddle et al. 2015, GCMat has been expanded to cover additional REEs, derived products and supply chains that use these REEs, and includes new agent behaviors and modeling capabilities. Section 2 provides a summary of the GCMat model design, including the structure of the model and key assumptions, section 3 summarizes methods used for model calibration and sensitivity analysis, and section 4 provides examples of model results.
36 MATERIALS SCIENCE↗
Development of an open-source regional data assimilation system in PEcAn v. 1.7.2: application to carbon cycle reanalysis across the contiguous US using SIPNET
Abstract. The ability to monitor, understand, and predict the dynamics of the terrestrial carbon cycle requires the capacity to robustly and coherently synthesize multiple streams of information that each provide partial information about different pools and fluxes. In this study, we introduce a new terrestrial carbon cycle data assimilation system, built on the PEcAn model–data eco-informatics system, and its application for the development of a proof-of-concept carbon “reanalysis” product that harmonizes carbon pools (leaf, wood, soil) and fluxes (GPP, Ra, Rh, NEE) across the contiguous United States from 1986–2019. We first calibrated this system against plant trait and flux tower net ecosystem exchange (NEE) using a novel emulated hierarchical Bayesian approach. Next, we extended the Tobit–Wishart ensemble filter (TWEnF) state data assimilation (SDA) framework, a generalization of the common ensemble Kalman filter which accounts for censored data and provides a fully Bayesian estimate of model process error, to a regional-scale system with a calibrated localization. Combined with additional workflows for propagating parameter, initial condition, and driver uncertainty, this represents the most complete and robust uncertainty accounting available for terrestrial carbon models. Our initial reanalysis was run on an irregular grid of ∼ 500 points selected using a stratified sampling method to efficiently capture environmental heterogeneity. Remotely sensed observations of aboveground biomass (Landsat LandTrendr) and leaf area index (LAI) (MODIS MOD15) were sequentially assimilated into the SIPNET model. Reanalysis soil carbon, which was indirectly constrained based on modeled covariances, showed general agreement with SoilGrids, an independent soil carbon data product. Reanalysis NEE, which was constrained based on posterior ensemble weights, also showed good agreement with eddy flux tower NEE and reduced root mean square error (RMSE) compared to the calibrated forecast. Ultimately, PEcAn's new open-source regional data assimilation framework provides a scalable workflow for harmonizing multiple data constraints and providing a uniform synthetic platform for carbon monitoring, reporting, and verification (MRV) as well as accelerating terrestrial carbon cycle research.
54 ENVIRONMENTAL SCIENCES↗
Machine Learning Driven Sensitivity Analysis of E3SM Land Model Parameters for Wetland Methane Emissions
Methane (CH 4 ) is globally the second most critical greenhouse gas after carbon dioxide, contributing to 16%–25% of the observed atmospheric warming. Wetlands are the primary natural source of methane emissions globally. However, wetland methane emission estimates from biogeochemistry models contain considerable uncertainty. One of the main sources of this uncertainty arises from the numerous uncertain model parameters within various physical, biological, and chemical processes that influence methane production, oxidation, and transport. Sensitivity Analysis (SA) can help identify critical parameters for methane emission and achieve reduced biases and uncertainties in future projections. This study performs SA for 19 selected parameters responsible for critical biogeochemical processes in the methane module of the Energy Exascale Earth System Model (E3SM) land model (ELM). The impact of these parameters on various CH 4 fluxes is examined at 14 FLUXNET- CH 4 sites with diverse vegetation types. Given the extensive number of model simulations needed for global variance-based SA, we employ a machine learning (ML) algorithm to emulate the complex behavior of ELM methane biogeochemistry. We found that parameters linked to CH 4 production and diffusion generally present the highest sensitivities despite apparent seasonal variation. Comparing simulated emissions from perturbed parameter sets against FLUXNET-CH 4 observations revealed that better performances can be achieved at each site compared to the default parameter values. This presents a scope for further improving simulated emissions using parameter calibration with advanced optimization techniques.
54 ENVIRONMENTAL SCIENCES↗