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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Statistically Rigorous Uncertainty Quantification for Physical Parameter Model Calibration with Functional Output

In experiments conducted on the Z-machine at Sandia National Laboratories, dynamic material properties cannot be analyzed using traditional analytic methods, necessitating solving an inverse problem. Bayesian model calibration is a statistical framework for solving an inverse problem to estimate parameters input into a computational model in the presence of multiple uncertainties. Disentangling input parameter uncertainty and model misspecification is often poorly identified problem. When using computational models for physical parameter estimation, the issue of parameter identifiability must be carefully considered to obtain accurate and precise estimates of physical parameters. Additionally, in dynamic material properties applications, the experimental output is a function, velocity over time. While we can sample an arbitrarily large number of points from the measured velocity, these curves only contain a finite amount of information about the calibration parameters. In this report, we propose modifications to the Bayesian model calibration framework to simplify and improve the estimation of physical parameters with functional outputs. Specifically, we propose scaling the likelihood function by an effective sample size rather than modeling the discrepancy function; and modularizing input nuisance parameters with weakly identified parameters. We evaluate the performance of these proposed methods using a statistical simulation study and then apply these methods to estimate parameters of the tantalum equation of state. We conclude that these proposed methods can provide simple, fast, and statistically valid alternatives to the full Bayesian model calibration procedure; and that these methods can be used to estimate parameters of the equation of state for tantalum.

97 MATHEMATICS AND COMPUTING↗

On the Bayesian calibration of computer model mixtures through experimental data, and the design of predictive models

For many real systems, several computer models may exist with different physics and predictive abilities. To achieve more accurate simulations/predictions, it is desirable for these models to be properly combined and calibrated. Here, we propose the Bayesian calibration of computer model mixture method which relies on the idea of representing the real system output as a mixture of the available computer model outputs with unknown input dependent weight functions. The method builds a fully Bayesian predictive model as an emulator for the real system output by combining, weighting, and calibrating the available models in the Bayesian framework. Moreover, it fits a mixture of calibrated computer models that can be used by the domain scientist as a mean to combine the available computer models, in a flexible and principled manner, and perform reliable simulations. It can address realistic cases where one model may be more accurate than the others at different input values because the mixture weights, indicating the contribution of each model, are functions of the input. Inference on the calibration parameters can consider multiple computer models associated with different physics. The method does not require knowledge of the fidelity order of the models. We provide a technique able to mitigate the computational overhead due to the consideration of multiple computer models that is suitable to the mixture model framework. We implement the proposed method in a real-world application involving the Weather Research and Forecasting large-scale climate model.

97 MATHEMATICS AND COMPUTING↗

Bayesian calibration of groundwater models with input data uncertainty

Effective water resources management typically relies on numerical models to analyze groundwater flow and solute transport processes. Groundwater models are often subject to input data uncertainty, as some inputs (such as recharge and well pumping rates) are estimated and subject to uncertainty. Current practices of groundwater model calibration often overlook uncertainties in input data; this can lead to biased parameter estimates and compromised predictions. Through a synthetic case study of surface–ground water interaction under changing pumping conditions and land use, we investigate the impacts of uncertain pumping and recharge rates on model calibration and uncertainty analysis. We then present a Bayesian framework of model calibration to handle uncertain input of groundwater models. The framework implements a marginalizing step to account for input data uncertainty when evaluating likelihood. It was found that not accounting for input uncertainty may lead to biased, overconfident parameter estimates because parameters could be over–adjusted to compensate for possible input data errors. Parameter compensation can have deleterious impacts when the calibrated model is used to make forecast under a scenario that is different from calibration conditions. By marginalizing input data uncertainty, the Bayesian calibration approach effectively alleviates parameter compensation and gives more accurate predictions in the synthetic case study. The marginalizing Bayesian method also decomposes prediction uncertainty into uncertainties contributed by parameters, input data, and measurements. Furthermore, the results underscore the need to account for input uncertainty to better inform postmodeling decision making.

54 ENVIRONMENTAL SCIENCES↗

EFBMC

SAND2026-23986O EFBMC performs elastic Bayesian model calibration by applying Bayesian statistics and functional analysis. The software provides Python, R, and MATLAB scripts that enable users to calibrate models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Tucker, J. Derek [Sandia National Lab. (SNL-CA), L↗

Bayesian Inversion of Seismic and Electromagnetic Data for Marine Gas Reservoir Characterization Using Multi-chain Markov Chain Monte Carlo Sampling

In this study we developed an efficient Bayesian inversion framework for interpreting marine seismic amplitude versus angle (AVA) and controlled source electromagnetic (CSEM) data for marine reservoir characterization. The framework uses a multi-chain Markov-chain Monte Carlo (MCMC) sampler, which is a hybrid of DiffeRential Evolution Adaptive Metropolis (DREAM) and Adaptive Metropolis (AM) samplers. The inversion framework is tested by estimating reservoir-fluid saturations and porosity based on marine seismic and CSEM data. The multi-chain MCMC is scalable in terms of the number of chains, and is useful for computationally demanding Bayesian model calibration in scientific and engineering problems. As a demonstration, the approach is used to efficiently and accurately estimate the porosity and saturations in a representative layered synthetic reservoir. The results indicate that the seismic AVA and CSEM joint inversion provides better estimation of reservoir saturations than the seismic AVA-only inversion, especially for the parameters in deep layers. The performance of the inversion approach for various levels of noise in observational data was evaluated – reasonable estimates can be obtained with noise levels up to 25%. Sampling efficiency due to the use of multiple chains was also checked and was found to have almost linear scalability.

Ren, Huiying↗

On the applicability of surrogate-based Markov chain Monte Carlo-Bayesian inversion to the Community Land Model: Case studies at flux tower sites: SURROGATE-BASED MCMC FOR CLM

The Community Land Model (CLM) has been widely used in climate and Earth system modeling. Accurate estimation of model parameters is needed for reliable model simulations and predictions under current and future conditions, respectively. In our previous work, a subset of hydrological parameters has been identified to have significant impact on surface energy fluxes at selected flux tower sites based on parameter screening and sensitivity analysis, which indicate that the parameters could potentially be estimated from surface flux observations at the towers. To date, such estimates do not exist. In this paper, we assess the feasibility of applying a Bayesian model calibration technique to estimate CLM parameters at selected flux tower sites under various site conditions. The parameters are estimated as a joint probability density function (PDF) that provides estimates of uncertainty of the parameters being inverted, conditional on climatologically-average latent heat fluxes derived from observations. We find that the simulated mean latent heat fluxes from CLM using the calibrated parameters are generally improved at all sites when compared to those obtained with CLM simulations using default parameter sets. Further, our calibration method also results in credibility bounds around the simulated mean fluxes which bracket the measured data. The modes (or maximum a posteriori values) and 95% credibility intervals of the site-specific posterior PDFs are tabulated as suggested parameter values for each site. Analysis of relationships between the posterior PDFs and site conditions suggests that the parameter values are likely correlated with the plant functional type, which needs to be confirmed in future studies by extending the approach to more sites.

Huang, Maoyi↗