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1. Bayesian inference and uncertainty propagation using efficient fractional-order viscoelastic models for dielectric elastomers

   https://doi.org/10.1177/1045389X20969847  

   Miles, Paul R ; Pash, Graham T ; Smith, Ralph C ; Oates, William S ( March 2021 , Journal of Intelligent Material Systems and Structures)

   null (Ed.)

   Dielectric elastomers are employed for a wide variety of adaptive structures. Many of these soft elastomers exhibit significant rate-dependencies in their response. Accurately quantifying this viscoelastic behavior is non-trivial and in many cases a nonlinear modeling framework is required. Fractional-order operators have been applied to modeling viscoelastic behavior for many years, and recent research has shown fractional-order methods to be effective for nonlinear frameworks. This implementation can become computationally expensive to achieve an accurate approximation of the fractional-order derivative. Accurate estimation of the elastomer’s viscoelastic behavior to quantify parameter uncertainty motivates the use of Markov Chain Monte Carlo (MCMC) methods. Since MCMC is a sampling based method, requiring many model evaluations, efficient estimation of the fractional derivative operator is crucial. In this paper, we demonstrate the effectiveness of using quadrature techniques to approximate the Riemann–Liouville definition for fractional derivatives in the context of estimating the uncertainty of a nonlinear viscoelastic model. We also demonstrate the use of parameter subset selection techniques to isolate parameters that are identifiable in the sense that they are uniquely determined by measured data. For those identifiable parameters, we employ Bayesian inference to compute posterior distributions for parameters. Finally, we propagate parameter uncertainties through the models to compute prediction intervals for quantities of interest. 

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2. Sensitivity-based research prioritization through stochastic characterization modeling

   https://doi.org/10.1007/s11367-017-1322-y  

   Wender, Ben A. ; Prado, Valentina ; Fantke, Peter ; Ravikumar, Dwarakanath ; Seager, Thomas P. ( April 2017 , The International Journal of Life Cycle Assessment)

   Purpose Product developers using life cycle toxicity characterization models to understand the potential impacts of chemical emissions face serious challenges related to large data demands and high input data uncertainty. This motivates greater focus on model sensitivity toward input parameter variability to guide research efforts in data refinement and design of experiments for existing and emerging chemicals alike. This study presents a sensitivity-based approach for estimating toxicity characterization factors given high input data uncertainty and using the results to prioritize data collection according to parameter influence on characterization factors (CFs). Proof of concept is illustrated with the UNEP-SETAC scientific consensus model USEtox. Methods Using Monte Carlo analysis, we demonstrate a sensitivity-based approach to prioritize data collection with an illustrative example of aquatic ecotoxicity CFs for the vitamin B derivative niacinamide, which is an antioxidant used in personal care products. We calculate CFs via 10,000 iterations assuming plus-or-minus one order of magnitude variability in fate and exposure-relevant data inputs, while uncertainty in effect factor data is modeled as a central t distribution. Spearman’s rank correlation indices are used for all variable inputs to identify parameters with the largest influence on CFs. Results and discussion For emissions to freshwater, the niacinamide CF is near log-normally distributed with a geometric mean of 0.02 and geometric standard deviation of 8.5 PAF m3 day/kg. Results of Spearman’s rank correlation show that degradation rates in air, water, and soil are the most influential parameters in calculating CFs, thus benefiting the most from future data refinement and experimental research. Kow, sediment degradation rate, and vapor pressure were the least influential parameters on CF results. These results may be very different for other, e.g., more lipophilic chemicals, where Kow is known to drive many fate and exposure aspects in multimedia modeling. Furthermore, non-linearity between input parameters and CF results prevents transferring sensitivity conclusions from one chemical to another. Conclusions A sensitivity-based approach for data refinement and research prioritization can provide guidance to database managers, life cycle assessment practitioners, and experimentalists to concentrate efforts on the few parameters that are most influential on toxicity characterization model results. Researchers can conserve resources and address parameter uncertainty by applying this approach when developing new or refining existing CFs for the inventory items that contribute most to toxicity impacts. 

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3. An integrated framework of global sensitivity analysis and calibration for spatially explicit agent‐based models

   https://doi.org/10.1111/tgis.12837  

   Kang, Jeon‐Young ; Michels, Alexander ; Crooks, Andrew ; Aldstadt, Jared ; Wang, Shaowen ( September 2021 , Transactions in GIS)

   Calibration of agent‐based models (ABMs) is a major challenge due to the complex nature of the systems being modeled, the heterogeneous nature of geographical regions, the varying effects of model inputs on the outputs, and computational intensity. Nevertheless, ABMs need to be carefully tuned to achieve the desirable goal of simulating spatiotemporal phenomena of interest, and a well‐calibrated model is expected to achieve an improved understanding of the phenomena. To address some of the above challenges, this article proposes an integrated framework of global sensitivity analysis (GSA) and calibration, called GSA‐CAL. Specifically, variance‐based GSA is applied to identify input parameters with less influence on differences between simulated outputs and observations. By dropping these less influential input parameters in the calibration process, this research reduces the computational intensity of calibration. Since GSA requires many simulation runs, due to ABMs' stochasticity, we leverage the high‐performance computing power provided by the advanced cyberinfrastructure. A spatially explicit ABM of influenza transmission is used as the case study to demonstrate the utility of the framework. Leveraging GSA, we were able to exclude less influential parameters in the model calibration process and demonstrate the importance of revising local settings for an epidemic pattern in an outbreak.

    

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4. Guidance on evaluating parametric model uncertainty at decision-relevant scales

   https://doi.org/10.5194/hess-26-2519-2022  

   Smith, Jared D. ; Lin, Laurence ; Quinn, Julianne D. ; Band, Lawrence E. ( January 2022 , Hydrology and Earth System Sciences)

   Abstract. Spatially distributed hydrological models are commonly employed to optimize the locations of engineering control measures across a watershed. Yet, parameter screening exercises that aim to reduce the dimensionality of the calibration search space are typically completed only for gauged locations, like the watershed outlet, and use screening metrics that are relevant to calibration instead of explicitly describing the engineering decision objectives. Identifying parameters that describe physical processes in ungauged locations that affect decision objectives should lead to a better understanding of control measure effectiveness. This paper provides guidance on evaluating model parameter uncertainty at the spatial scales and flow magnitudes of interest for such decision-making problems. We use global sensitivity analysis to screen parameters for model calibration, and to subsequently evaluate the appropriateness of using multipliers to adjust the values of spatially distributed parameters to further reduce dimensionality. We evaluate six sensitivity metrics, four of which align with decision objectives and two of which consider model residual error that would be considered in spatial optimizations of engineering designs. We compare the resulting parameter selection for the basin outlet and each hillslope. We also compare basin outlet results for four calibration-relevant metrics. These methods were applied to a RHESSys ecohydrological model of an exurban forested watershed near Baltimore, MD, USA. Results show that (1) the set of parameters selected by calibration-relevant metrics does not include parameters that control decision-relevant high and low streamflows, (2) evaluating sensitivity metrics at the basin outlet misses many parameters that control streamflows in hillslopes, and (3) for some multipliers, calibrating all parameters in the set being adjusted may be preferable to using the multiplier if parameter sensitivities are significantly different, while for others, calibrating a subset of the parameters may be preferable if they are not all influential. Thus, we recommend that parameter screening exercises use decision-relevant metrics that are evaluated at the spatial scales appropriate to decision making. While including more parameters in calibration will exacerbate equifinality, the resulting parametric uncertainty should be important to consider in discovering control measures that are robust to it. 

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5. Global Sensitivity Analysis and Uncertainty Quantification for Background Solar Wind Using the Alfvén Wave Solar Atmosphere Model

   https://doi.org/10.1029/2022SW003262  

   Jivani, Aniket ; Sachdeva, Nishtha ; Huang, Zhenguang ; Chen, Yang ; van der Holst, Bart ; Manchester, Ward ; Iong, Daniel ; Chen, Hongfan ; Zou, Shasha ; Huan, Xun ; et al ( January 2023 , Space Weather)

   Modeling the impact of space weather events such as coronal mass ejections (CMEs) is crucial to protecting critical infrastructure. The Space Weather Modeling Framework is a state‐of‐the‐art framework that offers full Sun‐to‐Earth simulations by computing the background solar wind, CME propagation, and magnetospheric impact. However, reliable long‐term predictions of CME events require uncertainty quantification (UQ) and data assimilation. We take the first steps by performing global sensitivity analysis (GSA) and UQ for background solar wind simulations produced by the Alfvén Wave Solar atmosphere Model (AWSoM) for two Carrington rotations: CR2152 (solar maximum) and CR2208 (solar minimum). We conduct GSA by computing Sobol' indices that quantify contributions from model parameter uncertainty to the variance of solar wind speed and density at 1 au, both crucial quantities for CME propagation and strength. Sobol' indices also allow us to rank and retain only the most important parameters, which aids in the construction of smaller ensembles for the reduced‐dimension parameter space. We present an efficient procedure for computing the Sobol' indices using polynomial chaos expansion surrogates and space‐filling designs. The PCEs further enable inexpensive forward UQ. Overall, we identify three important model parameters: the multiplicative factor applied to the magnetogram, Poynting flux per magnetic field strength constant used at the inner boundary, and the coefficient of the perpendicular correlation length in the turbulent cascade model in AWSoM.

    

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