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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Modeling DNP3 Traffic Characteristics of Field Devices in SCADA Systems of the Smart Grid

In the generation, transmission, and distribution sectors of the smart grid, intelligence of field devices is realized by programmable logic controllers (PLCs). Many smart-grid subsystems are essentially cyber-physical energy systems (CPES): For instance, the power system process (i.e., the physical part) within a substation is monitored and controlled by a SCADA network with hosts running miscellaneous applications (i.e., the cyber part). To study the interactions between the cyber and physical components of a CPES, several co-simulation platforms have been proposed. However, the network simulators/emulators of these platforms do not include a detailed traffic model that takes into account the impacts of the execution model of PLCs on traffic characteristics. As a result, network traces generated by co-simulation only reveal the impacts of the physical process on the contents of the traffic generated by SCADA hosts, whereas the distinction between PLCs and computing nodes (e.g., a hardened computer running a process visualization application) has been overlooked. To generate realistic network traces using co-simulation for the design and evaluation of applications relying on accurate traffic profiles, it is necessary to establish a traffic model for PLCs. In this work, we propose a parameterized model for PLCs that can be incorporated into existing co-simulation platforms. We focus on the DNP3 subsystem of slave PLCs, which automates the processing of packets from the DNP3 master. To validate our approach, we extract model parameters from both the configuration and network traces of real PLCs. Simulated network traces are generated and compared against those from PLCs. Our evaluation shows that our proposed model captures the essential traffic characteristics of DNP3 slave PLCs, which can be used to extend existing co-simulation platforms and gain further insights into the behaviors of CPES.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2013

ESTIMATING THE PROPERTIES OF HARD X-RAY SOLAR FLARES BY CONSTRAINING MODEL PARAMETERS

We wish to better constrain the properties of solar flares by exploring how parameterized models of solar flares interact with uncertainty estimation methods. We compare four different methods of calculating uncertainty estimates in fitting parameterized models to Ramaty High Energy Solar Spectroscopic Imager X-ray spectra, considering only statistical sources of error. Three of the four methods are based on estimating the scale-size of the minimum in a hypersurface formed by the weighted sum of the squares of the differences between the model fit and the data as a function of the fit parameters, and are implemented as commonly practiced. The fourth method is also based on the difference between the data and the model, but instead uses Bayesian data analysis and Markov chain Monte Carlo (MCMC) techniques to calculate an uncertainty estimate. Two flare spectra are modeled: one from the Geostationary Operational Environmental Satellite X1.3 class flare of 2005 January 19, and the other from the X4.8 flare of 2002 July 23. We find that the four methods give approximately the same uncertainty estimates for the 2005 January 19 spectral fit parameters, but lead to very different uncertainty estimates for the 2002 July 23 spectral fit. This is because each method implements different analyses of the hypersurface, yielding method-dependent results that can differ greatly depending on the shape of the hypersurface. The hypersurface arising from the 2005 January 19 analysis is consistent with a normal distribution; therefore, the assumptions behind the three non-Bayesian uncertainty estimation methods are satisfied and similar estimates are found. The 2002 July 23 analysis shows that the hypersurface is not consistent with a normal distribution, indicating that the assumptions behind the three non-Bayesian uncertainty estimation methods are not satisfied, leading to differing estimates of the uncertainty. We find that the shape of the hypersurface is crucial in understanding the output from each uncertainty estimation technique, and that a crucial factor determining the shape of hypersurface is the location of the low-energy cutoff relative to energies where the thermal emission dominates. The Bayesian/MCMC approach also allows us to provide detailed information on probable values of the low-energy cutoff, E{sub c} , a crucial parameter in defining the energy content of the flare-accelerated electrons. We show that for the 2002 July 23 flare data, there is a 95% probability that E{sub c} lies below approximately 40 keV, and a 68% probability that it lies in the range 7-36 keV. Further, the low-energy cutoff is more likely to be in the range 25-35 keV than in any other 10 keV wide energy range. The low-energy cutoff for the 2005 January 19 flare is more tightly constrained to 107 {+-} 4 keV with 68% probability. Using the Bayesian/MCMC approach, we also estimate for the first time probability density functions for the total number of flare-accelerated electrons and the energy they carry for each flare studied. For the 2002 July 23 event, these probability density functions are asymmetric with long tails orders of magnitude higher than the most probable value, caused by the poorly constrained value of the low-energy cutoff. The most probable electron power is estimated at 10{sup 28.1} erg s{sup -1}, with a 68% credible interval estimated at 10{sup 28.1}-10{sup 29.0} erg s{sup -1}, and a 95% credible interval estimated at 10{sup 28.0}-10{sup 30.2} erg s{sup -1}. For the 2005 January 19 flare spectrum, the probability density functions for the total number of flare-accelerated electrons and their energy are much more symmetric and narrow: the most probable electron power is estimated at 10{sup 27.66{+-}0.01} erg s{sup -1} (68% credible intervals). However, in this case the uncertainty due to systematic sources of error is estimated to dominate the uncertainty due to statistical sources of error.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

Estimating the Properties of Hard X-Ray Solar Flares by Constraining Model Parameters

We wish to better constrain the properties of solar flares by exploring how parameterized models of solar flares interact with uncertainty estimation methods. We compare four different methods of calculating uncertainty estimates in fitting parameterized models to Ramaty High Energy Solar Spectroscopic Imager X-ray spectra, considering only statistical sources of error. Three of the four methods are based on estimating the scale-size of the minimum in a hypersurface formed by the weighted sum of the squares of the differences between the model fit and the data as a function of the fit parameters, and are implemented as commonly practiced. The fourth method is also based on the difference between the data and the model, but instead uses Bayesian data analysis and Markov chain Monte Carlo (MCMC) techniques to calculate an uncertainty estimate. Two flare spectra are modeled: one from the Geostationary Operational Environmental Satellite X1.3 class flare of 2005 January 19, and the other from the X4.8 flare of 2002 July 23.We find that the four methods give approximately the same uncertainty estimates for the 2005 January 19 spectral fit parameters, but lead to very different uncertainty estimates for the 2002 July 23 spectral fit. This is because each method implements different analyses of the hypersurface, yielding method-dependent results that can differ greatly depending on the shape of the hypersurface. The hypersurface arising from the 2005 January 19 analysis is consistent with a normal distribution; therefore, the assumptions behind the three non- Bayesian uncertainty estimation methods are satisfied and similar estimates are found. The 2002 July 23 analysis shows that the hypersurface is not consistent with a normal distribution, indicating that the assumptions behind the three non-Bayesian uncertainty estimation methods are not satisfied, leading to differing estimates of the uncertainty. We find that the shape of the hypersurface is crucial in understanding the output from each uncertainty estimation technique, and that a crucial factor determining the shape of hypersurface is the location of the low-energy cutoff relative to energies where the thermal emission dominates. The Bayesian/MCMC approach also allows us to provide detailed information on probable values of the low-energy cutoff, Ec, a crucial parameter in defining the energy content of the flare-accelerated electrons. We show that for the 2002 July 23 flare data, there is a 95% probability that Ec lies below approximately 40 keV, and a 68% probability that it lies in the range 7-36 keV. Further, the low-energy cutoff is more likely to be in the range 25-35 keV than in any other 10 keV wide energy range. The low-energy cutoff for the 2005 January 19 flare is more tightly constrained to 107 +/- 4 keV with 68% probability.

X-rays↗
DOE OSTI2019

Reduced-order modeling of parameterized multi-group diffusion k-eigenvalue problems

In this paper, a group-wise Reduced-Order Model, based on a Proper Orthogonal Decomposition (POD) technique, is presented for parameterized multi-group diffusion k-eigenvalue problems. The group-wise approach is shown to be more robust than model-order reduction based on monolithic multi-group POD modes. In addition, fewer POD modes are required. The method of snapshots is employed to generate the offline training set. Two Naïve and a Greedy snapshot-generation strategies are compared. The input parameter space is surveyed using Latin Hypercube Sampling techniques. The effectiveness of the group-wise model-order reduction method is demonstrated on two reactor-physics benchmarks, a two-group 3D Pressurized Water Reactor problem with 26 uncertain input parameters and a seven-group UO 2 -MOX fuel 3D mini-core with 287 uncertain input parameters. In both examples the Reduced-Order Models built using the snapshots generated by the Greedy algorithm proved to be slightly better. Model-order reduction yields results that are within 1 pcm of the full-order model, with speed-up factors of about 1000–3000, depending upon the test case.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2010

High-Latitude Stratospheric Sensitivity to QBO Width in a Chemistry-Climate Model with Parameterized Ozone Chemistry

In a pair of idealized simulations with a simplified chemistry-climate model, the sensitivity of the wintertime Arctic stratosphere to variability in the width of the quasi-biennial oscillation (QBO) is assessed. The width of the QBO appears to have equal influence on the Arctic stratosphere as does the phase (i.e. the Holton-Tan mechanism). In the model, a wider QBO acts like a preferential shift toward the easterly phase of the QBO, where zonal winds at 60 N tend to be relatively weaker, while 50 hPa geopotential heights and polar ozone values tend to be higher.

Hurwitz, M. M.↗
DOE OSTI2015

Incorporating an advanced aerosol activation parameterization into WRF-CAM5: Model evaluation and parameterization intercomparison

Aerosol activation into cloud droplets is an important process that governs aerosol indirect effects. The advanced treatment of aerosol activation by Fountoukis and Nenes (2005) and its recent updates, collectively called the FN series, have been incorporated into a newly developed regional coupled climate-air quality model based on the Weather Research and Forecasting model with the physics package of the Community Atmosphere Model version 5 (WRF-CAM5) to simulate aerosol-cloud interactions in both resolved and convective clouds. The model is applied to East Asia for two full years of 2005 and 2010. A comprehensive model evaluation is performed for model predictions of meteorological, radiative, and cloud variables, chemical concentrations, and column mass abundances against satellite data and surface observations from air quality monitoring sites across East Asia. The model performs overall well for major meteorological variables including near-surface temperature, specific humidity, wind speed, precipitation, cloud fraction, precipitable water, downward shortwave and longwave radiation, and column mass abundances of CO, SO 2 , NO 2 , HCHO, and O 3 in terms of both magnitudes and spatial distributions. Larger biases exist in the predictions of surface concentrations of CO and NO x at all sites and SO 2 , O 3 , PM 2.5 , and PM 10 concentrations at some sites, aerosol optical depth, cloud condensation nuclei over ocean, cloud droplet number concentration (CDNC), cloud liquid and ice water path, and cloud optical thickness. Compared with the default Abdul-Razzack Ghan (2000) parameterization, simulations with the FN series produce ~107–113% higher CDNC, with half of the difference attributable to the higher aerosol activation fraction by the FN series and the remaining half due to feedbacks in subsequent cloud microphysical processes. With the higher CDNC, the FN series are more skillful in simulating cloud water path, cloud optical thickness, downward shortwave radiation, shortwave cloud forcing, and precipitation. Here, the model evaluation identifies several areas of improvements including emissions and their vertical allocation as well as model formulations such as aerosol formation, cloud droplet nucleation, and ice nucleation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Final Technical Report of ASR project entitled “ARM Observations for the Development and Evaluation of Models and Parameterizations of Cloudy Boundary Layers” (DE-SC0000825)

This project aims to elucidate the processes governing boundary layer clouds and improve the treatment of cloud processes in Global Climate Models (GCMs). Specifically, we have made research effort in following areas: (1) Developing novel numerical approach of using multiple scale Weather Research & Forecasting (WRF) model simulations for boundary layer cloud research; (2) Addressing issues of PDF schemes for parameterizing sub-grid scale cloud radiative properties; (3) Investigating the impact of mesoscale cloud organizations on the evolution of boundary layer clouds; (4) Evaluating parameterizations of the cumulus induced vertical transport; (5) Limited area model (LAM) intercomparison study of TWP-ICE convective case; (6) Investigating convective invigoration processes at shallow cumulus cold poll boundaries; and (7) Investigating vertical transport processes in moist convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Three‐Dimensional Permeability Inversion Using Convolutional Neural Networks and Positron Emission Tomography

Abstract Quantification of heterogeneous multiscale permeability in geologic porous media is key for understanding and predicting flow and transport processes in the subsurface. Recent utilization of in situ imaging, specifically positron emission tomography (PET), enables the measurement of three‐dimensional (3‐D) time‐lapse radiotracer solute transport in geologic media. However, accurate and computationally efficient characterization of the permeability distribution that controls the solute transport process remains challenging. Leveraging the relationship between local permeability variation and solute advection behavior, an encoder‐decoder based convolutional neural network (CNN) is implemented as a permeability inversion scheme using a single PET scan of a radiotracer pulse injection experiment as input. The CNN can accurately capture the 3‐D spatial correlation between the permeability and the radiotracer solute arrival time difference maps in geologic cores. We first test the inversion accuracy using synthetic test datasets and then test the accuracy on a suite of experimental PET imaging datasets acquired on four different geologic cores. The network‐predicted permeability maps from the geologic cores are used to parameterize forward numerical models that are directly compared with the experimental PET imaging data. The results indicate that a single trained network can generate robust 3‐D permeability inversion maps in seconds. Numerical models parameterized with these permeability maps closely capture the experimentally observed solute arrival time behavior. This work provides an unprecedented approach for efficiently characterizing multiscale permeability heterogeneity in complex geologic samples.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Common Information Model for Electromagnetic Transients (CIM for EMT): CRADA 533 [Abstract only}

The control and protection functions of inverter-based resources (IBR) have raised concerns with bulk system reliability. Most of the current interest lies with solar photovoltaic generation but increasing amounts of storage would pose the same risks. Newer North American Electric Reliability Corporation (NERC) guidelines call for electromagnetic transient (EMT) studies of IBR and recommend that transmission operators collect distributed energy resource (DER) data to support such modeling. IEEE Standard P2800.1 is defining tests for model parameterization, so good model data should become available from inverter vendors. (EMT studies also apply to large power transformer reliability, and transformer vendors can provide EMT models.) Utilities don’t currently have the rest of the bulk system represented for EMT studies at large scale. An International Electrotechnical Commission (IEC) standard Common Information Model (CIM) provides a way of supporting these detailed models from physical asset data, e.g., conductors, towers, transformer data sheets, control block diagrams, while avoiding software vendor lock-in. CIM-for-EMT, with proposed schema extensions and open-source converters, provides a way to exchange EMT data between organizations and tools. This project leverages Office of Electricity (OE) funding of CIM-for-EMT code base through the GridAPPS-DTM project, and of GridPACKTM (parallelized transmission solver), for interoperability testing in CIM-for-EMT. The project also leverages partner PGSTech investments in EMTP® interoperability with CIM.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Simulating 10,000 Years of Erosion to Assess Nuclear Waste Repository Performance

Long-term environmental performance assessments of natural processes, including erosion, are critically important for waste repository site evaluation. Yet, assessing a site’s ability to continuously function is challenging due to parameter uncertainty and compounding nonlinear processes. In lieu of unavailable site data for model calibration, we present a workflow to include multiple sources of surrogate data and reduced-order models to validate parameters for a long-term erosion assessment of a low-level radioactive nuclear waste repository. We apply this new workflow to a low-level waste repository on mesas in Los Alamos National Laboratory in New Mexico. To account for parameter uncertainty, we simulate high-, moderate-, and low-erosion cases. The assessment extends to 10,000 years, which results in large erosion uncertainties, but is necessary given the nature of the interred waste. Our long-term erosion analysis shows that high-erosion scenarios produce rounded mesa tops and partially filled canyons, diverging from the moderate-erosion case that results in gullies and sharp mesa rims. Our novel model parameterization workflow and modeling exercise demonstrates the utility of long-term assessments, identifies sources of erosion forecast uncertainty, and demonstrates the utility of landscape evolution model development. We end with a discussion on methods to reduce assessment uncertainty and increase model confidence.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1989

The global geochemistry of bomb-produced tritium - General circulation model compared to available observations and traditional interpretations

Observational evidence suggests that of the tritium produced during nuclear bomb tests that has already reached the ocean, more than twice as much arrived through vapor impact as through precipitation. In the present study, the Goddard Institute for Space Studies 8 x 10 deg atmospheric general circulation model is used to simulate tritium transport from the upper atmosphere to the ocean. The simulation indicates that tritium delivery to the ocean via vapor impact is about equal to that via precipitation. The model result is relatively insensitive to several imposed changes in tritium source location, in model parameterizations, and in model resolution. Possible reasons for the discrepancy are explored.

Koster, Randal D.↗
DOE OSTI2019

Improving Representation of Deforestation Effects on Evapotranspiration in the E3SM Land Model

Abstract Evapotranspiration (ET) plays an important role in land‐atmosphere coupling of energy, water, and carbon cycles. Following deforestation, ET is typically observed to decrease substantially as a consequence of decreases in leaf area and roots and increases in runoff. Changes in ET (latent heat flux) revise the surface energy and water budgets, which further affects large‐scale atmospheric dynamics and feeds back positively or negatively to long‐term forest sustainability. In this study, we used observations from a recent synthesis of 29 pairs of adjacent intact and deforested FLUXNET sites to improve model parameterization of stomatal characteristics, photosynthesis, and soil water dynamics in version 1 of the Energy Exascale Earth System Model (E3SM) Land Model (ELMv1). We found that default ELMv1 predicts an increase in ET after deforestation, likely leading to incorrect estimates of the effects of deforestation on land‐atmosphere coupling. The calibrated model accurately represented the FLUXNET observed deforestation effects on ET. Importantly, the search for global optimal parameters converged at values consistent with recent observational syntheses, confirming the reliability of the calibrated physical parameters. Applying this improved model parameterization to the globe scale reduced the bias of annual ET simulation by up to ~600 mm/year. Analysis on the roles of parameters suggested that future model development to improve ET simulation should focus on stomatal resistance and soil water‐related parameterizations. Finally, our predicted differences in seasonal ET changes from deforestation are large enough to substantially affect land‐atmosphere coupling and should be considered in such studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Parametric Sensitivity and Calibration for Kain-Fritsch Convective Parameterization Scheme in the WRF Model

Convective parameterizations used in weather and climate models all display sensitivity to model resolution and variable skill in different climatic regimes. Although parameters in convective schemes can be calibrated using observations to reduce model errors, it is not clear if the optimal parameters calibrated based on regional data can robustly improve model skill across different model resolutions and climatic regimes. In this study, this issue is investigated using a regional modeling framework based on the Weather Research and Forecasting (WRF) model. To quantify the response and sensitivity of model performance to model parameters, we identified five key input parameters and specified their ranges in the Kain-Fritsch (KF) convection scheme in WRF and calibrated them across different spatial resolutions, climatic regimes, and radiation schemes using observed precipitation data. Results show that the optimal values for the five input parameters in the KF scheme are close and model sensitivity and error exhibit similar dependence on the input parameters for all experiments conducted in this study despite differences in the precipitation climatology. We found that the model overall performances in simulating precipitation are more sensitive to the coefficients of downdraft (Pd) and entrainment (Pe) mass flux and starting height of downdraft (Ph). However, we found that rainfall biases, which are probably more related to structural errors, still exist over some regions in the simulation even with the optimal parameters, suggesting further studies are needed to identify the sources of uncertainties and reduce the model biases or structural errors associated with missed or misrepresented physical processes and/or potential problems with the modeling framework.

calibration↗
DOE OSTI2014

On the Correspondence between Mean Forecast Errors and Climate Errors in CMIP5 Models

The present study examines the correspondence between short- and long-term systematic errors in five atmospheric models by comparing the 16 five-day hindcast ensembles from the Transpose Atmospheric Model Intercomparison Project II (Transpose-AMIP II) for July–August 2009 (short term) to the climate simulations from phase 5 of the Coupled Model Intercomparison Project (CMIP5) and AMIP for the June–August mean conditions of the years of 1979–2008 (long term). Because the short-term hindcasts were conducted with identical climate models used in the CMIP5/AMIP simulations, one can diagnose over what time scale systematic errors in these climate simulations develop, thus yielding insights into their origin through a seamless modeling approach. The analysis suggests that most systematic errors of precipitation, clouds, and radiation processes in the long-term climate runs are present by day 5 in ensemble average hindcasts in all models. Errors typically saturate after few days of hindcasts with amplitudes comparable to the climate errors, and the impacts of initial conditions on the simulated ensemble mean errors are relatively small. This robust bias correspondence suggests that these systematic errors across different models likely are initiated by model parameterizations since the atmospheric large-scale states remain close to observations in the first 2–3 days. However, biases associated with model physics can have impacts on the large-scale states by day 5, such as zonal winds, 2-m temperature, and sea level pressure, and the analysis further indicates a good correspondence between short- and long-term biases for these large-scale states. Therefore, improving individual model parameterizations in the hindcast mode could lead to the improvement of most climate models in simulating their climate mean state and potentially their future projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Toward Rapid Transient Identification and Characterization of Kilonovae

With the increasing sensitivity of advanced gravitational-wave (GW) detectors, the first joint detection of an electromagnetic and GW signal from a compact binary merger will hopefully happen within this decade. However, current GW likelihood sky areas span ∼100--1000 deg{sup 2}, and thus it is a challenging task to identify which, if any, transient corresponds to the GW event. In this study, we make a comparison between recent kilonova/macronova light-curve models for the purpose of assessing potential light-curve templates for counterpart identification. We show that recent analytical and parameterized models for these counterparts result in qualitative agreement with more complicated radiative transfer simulations. Our analysis suggests that with improved light-curve models with smaller uncertainties it will become possible to extract information about ejecta properties and binary parameters directly from the light-curve measurement. Even tighter constraints are obtained in cases for which GW and kilonova parameter estimation results are combined. It will therefore be important to make comparisons and potentially combine parameter estimation with the kilonova and GW results. However, to be prepared for upcoming detections, more realistic kilonova models are needed. These will require numerical relativity with more detailed microphysics, better radiative transfer simulations, and a better understanding of the underlying nuclear physics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2021

A model-independent data assimilation (MIDA) module and its applications in ecology

Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

Earth system dynamics↗
DOE OSTI2020

The response of stomatal conductance to seasonal drought in tropical forests

Stomata regulate CO2 uptake for photosynthesis and water loss through transpiration. The approaches used to represent stomatal conductance (gs) in models vary. In particular, current understanding of drivers of the variation in a key parameter in those models, the slope parameter (i.e. a measure of intrinsic plant water-use-efficiency), is still limited, particularly in the tropics. Here we collected diurnal measurements of leaf gas exchange and water potential (?leaf), and a suite of plant traits from the upper canopy of 15 tropical trees in two contrasting Panamanian forests throughout the dry season of the 2016 El Niño. The plant traits included wood density, leaf-mass-per-area (LMA), leaf carboxylation capacity (Vc,max25), leaf water content, the degree of isohydry, and predawn ?leaf. We first investigated how the choice of four commonly used leaf-level gs models with and without the inclusion of ?leaf as an additional predictor variable influence the ability to predict gs, and then explored the abiotic (i.e. month, site-month interaction) and biotic (i.e. tree-species-specific characteristics) drivers of slope parameter variation. Our results show that the inclusion of ?leaf did not improve model performance and that the models that represent the response of gs to vapor pressure deficit performed better than corresponding models that respond to relative humidity. Within each gs model, we found large variation in the slope parameter, and this variation was attributable to the biotic driver, rather than abiotic drivers. We further investigated potential relationships between the slope parameter and the six available plant traits mentioned above, and found that only one trait, LMA, had a significant correlation with the slope parameter (R2=0.66, n=15), highlighting a potential path towards improved model parameterization. This study advances understanding of gs dynamics over seasonal drought, and identifies a practical, trait-based approach to improve modeling of carbon and water exchange in tropical forests.

carbon and water exchange, stomatal conductance mo↗
DOE OSTI2020

Nested active learning for efficient model contextualization and parameterization: pathway to generating simulated populations using multi-scale computational models

There is increasing interest in the use of mechanism-based multi-scale computational models (such as agent-based models (ABMs)) to generate simulated clinical populations in order to discover and evaluate potential diagnostic and therapeutic modalities. The description of the environment in which a biomedical simulation operates (model context) and parameterization of internal model rules (model content) requires the optimization of a large number of free parameters. In this work, we utilize a nested active learning (AL) workflow to efficiently parameterize and contextualize an ABM of systemic inflammation used to examine sepsis. Contextual parameter space was examined using four parameters external to the model’s rule set. The model’s internal parameterization, which represents gene expression and associated cellular behaviors, was explored through the augmentation or inhibition of signaling pathways for 12 signaling mediators associated with inflammation and wound healing. We have implemented a nested AL approach in which the clinically relevant (CR) model environment space for a given internal model parameterization is mapped using a small Artificial Neural Network (ANN). The outer AL level workflow is a larger ANN that uses AL to efficiently regress the volume and centroid location of the CR space given by a single internal parameterization. We have reduced the number of simulations required to efficiently map the CR parameter space of this model by approximately 99%. In addition, we have shown that more complex models with a larger number of variables may expect further improvements in efficiency.

97 MATHEMATICS AND COMPUTING↗