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Knio, Omar M.

Publications and source records attributed to Knio, Omar M..

Uncertainty Propagation in Coupled Atmosphere–Wave–Ocean Prediction System: A Study of Hurricane Earl (2010)

This study focuses on understanding the evolution of Hurricane Earl (2010) with respect to random perturbations in the storm’s initial strength, size, and asymmetry in wind distribution. We rely on the Unified Wave Interface-Coupled Model (UWIN-CM), a fully coupled atmosphere–wave–ocean system to generate a storm realization ensemble, and use polynomial chaos (PC) expansions to build surrogate models for time evolution of both the maximum wind speed and minimum sea level pressure in Earl. The resulting PC surrogate models provide statistical insights on probability distributions of model responses throughout the simulation time span. Statistical analysis of rapid intensification (RI) suggests that initial perturbations having intensified and counterclockwise-rotated winds are more likely to undergo RI. In addition, for the range of initial conditions considered RI seems mostly sensitive to azimuthally averaged maximum wind speed and asymmetry orientation, rather than storm size and asymmetry magnitude; this is consistent with global sensitivity analysis of PC surrogate models. Finally, we combine initial condition perturbations with a stochastic kinetic energy backscatter scheme (SKEBS) forcing in the UWIN-CM simulations and conclude that the storm tracks are substantially influenced by the SKEBS forcing perturbations, whereas the perturbations in initial conditions alone had only limited impact on the storm-track forecast.

54 ENVIRONMENTAL SCIENCES↗

Verifying and assessing the performance of the perturbation strategy in polynomial chaos ensemble forecasts of the circulation in the Gulf of Mexico

Here we present an analysis of two recent efforts aimed at quantifying the uncertainties in a 30-day HYbrid Coordinate Ocean Model forecast of the circulation in the Gulf of Mexico, with particular emphasis on the separation of Loop Current Eddy Franklin, using Polynomial Chaos methods. The analysis herein explores whether the model perturbations lead to realistic representation of the uncertainty in the Gulf Circulation. Comparisons of model output with Sea Surface Height and current mooring data show that the observational data generally falls within the envelope of the ensemble and that the modal decomposition delivers “realistic” perturbations in the Loop Current region. We use information theory metrics to quantify the information gain and the computational trade-offs between different wind and initial conditions perturbation modes. The relative entropy measures indicate that two modes for initial condition perturbations are enough, in our model configuration, to represent the uncertainty in the Loop Current region; while two modes for wind forcing perturbations are necessary in order to estimate the uncertainty in the coastal zone. The ensemble statistics are then explored using the Polynomial Chaos surrogate and the newly developed contour boxplot methods.

54 ENVIRONMENTAL SCIENCES↗

Final Technical Report: Quantification of Uncertainty in Extreme Scale Computations (QUEST)

QUEST is a SciDAC Institute comprising Sandia National Laboratories, Los Alamos National Laboratory, University of Southern California, Massachusetts Institute of Technology, University of Texas at Austin, and Duke University. The mission of QUEST is to: (1) develop a broad class of uncertainty quantification (UQ) methods/tools, and (2) provide UQ expertise and software to other SciDAC projects, thereby enabling/guiding their UQ activities. The Duke effort focused on the development of algorithms and utility software for non-intrusive sparse UQ representations, and on participation in the organization of annual workshops and tutorials to disseminate UQ tools to the community, and to gather input in order to adapt approaches to the needs of SciDAC customers. In particular, fundamental developments were made in (a) multiscale stochastic preconditioners, (b) gradient-based approaches to inverse problems, (c) adaptive pseudo-spectral approximations, (d) stochastic limit cycles, and (e) sensitivity analysis tools for noisy systems. In addition, large-scale demonstrations were performed, namely in the context of ocean general circulation models.

97 MATHEMATICS AND COMPUTING↗

Polynomial Chaos–Based Bayesian Inference of K -Profile Parameterization in a General Circulation Model of the Tropical Pacific

The authors present a polynomial chaos (PC)–based Bayesian inference method for quantifying the uncertainties of the K-profile parameterization (KPP) within the MIT general circulation model (MITgcm) of the tropical Pacific. The inference of the uncertain parameters is based on a Markov chain Monte Carlo (MCMC) scheme that utilizes a newly formulated test statistic taking into account the different components representing the structures of turbulent mixing on both daily and seasonal time scales in addition to the data quality, and filters for the effects of parameter perturbations over those as a result of changes in the wind. To avoid the prohibitive computational cost of integrating the MITgcm model at each MCMC iteration, a surrogate model for the test statistic using the PC method is built. Because of the noise in the model predictions, a basis-pursuit-denoising (BPDN) compressed sensing approach is employed to determine the PC coefficients of a representative surrogate model. The PC surrogate is then used to evaluate the test statistic in the MCMC step for sampling the posterior of the uncertain parameters. Results of the posteriors indicate good agreement with the default values for two parameters of the KPP model, namely the critical bulk and gradient Richardson numbers; while the posteriors of the remaining parameters were barely informative.

54 ENVIRONMENTAL SCIENCES↗

An overview of uncertainty quantification techniques with application to oceanic and oil‐spill simulations

Abstract We give an overview of four different ensemble‐based techniques for uncertainty quantification and illustrate their application in the context of oil plume simulations. These techniques share the common paradigm of constructing a model proxy that efficiently captures the functional dependence of the model output on uncertain model inputs. This proxy is then used to explore the space of uncertain inputs using a large number of samples, so that reliable estimates of the model's output statistics can be calculated. Three of these techniques use polynomial chaos (PC) expansions to construct the model proxy, but they differ in their approach to determining the expansions' coefficients; the fourth technique uses Gaussian Process Regression (GPR). An integral plume model for simulating the Deepwater Horizon oil‐gas blowout provides examples for illustrating the different techniques. A Monte Carlo ensemble of 50,000 model simulations is used for gauging the performance of the different proxies. The examples illustrate how regression‐based techniques can outperform projection‐based techniques when the model output is noisy. They also demonstrate that robust uncertainty analysis can be performed at a fraction of the cost of the Monte Carlo calculation.

Iskandarani, Mohamed↗

Development of a reduced model of formation reactions in Zr-Al nanolaminates

A computational model of anaerobic reactions in metallic multilayered systems with an equimolar composition of zirconium and aluminum is developed. The reduced reaction formalism of M. Salloum and O. M. Knio, Combust. Flame 157(2): 288–295 (2010) is adopted. Attention is focused on quantifying intermixing rates based on experimental measurements of uniform ignition as well as measurements of self-propagating front velocities. Estimates of atomic diffusivity are first obtained based on a regression analysis. A more elaborate Bayesian inference formalism is then applied in order to assess the impact of uncertainties in the measurements, potential discrepancies between predictions and observations, as well as the sensitivity of predictions to inferred parameters. Intermixing rates are correlated in terms of a composite Arrhenius law, which exhibits a discontinuity around the Al melting temperature. Analysis of the predictions indicates that Arrhenius parameters inferred for the low-temperature branch lie within a tight range, whereas the parameters of the high-temperature branch are characterized by higher uncertainty. The latter is affected by scatter in the experimental measurements, and the limited range of bilayers where observations are available. For both branches, the predictions exhibit higher sensitivity to the activation energy than the pre-exponent, whose posteriors are highly correlated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Analysis and Reduction of Complex Networks Under Uncertainty

This is a collaborative proposal that aims at developing new methods for the analysis and reduction of complex multiscale networks under uncertainty. The approach is based on combining methods of computational singular perturbation (CSP) and probabilistic uncertainty quantification. In deterministic settings, CSP yields asymptotic approximations of reduced-dimensionality “slow manifolds” on which a multiscale dynamical system evolves. Introducing uncertainty raises fundamentally new issues, particularly concerning its impact on the topology of slow manifolds, and means to represent and quantify associated variability. To address these challenges, this project uses polynomial chaos (PC) methods to reformulate uncertain network models, and to analyze them using CSP in probabilistic terms. Specific objectives include (1) developing effective algorithms that can be used to illuminate fundamental and unexplored connections among model reduction, multiscale behavior, and uncertainty, and (2) demonstrating the performance of these algorithms through applications to model problems.

97 MATHEMATICS AND COMPUTING↗

Quantifying Prediction Fidelity in Multiscale Multiphysics Simulations (Final Technical Report)

This is a collaborative proposal that aims to establish theoretical foundations and computational tools that enable uncertainty quantification (UQ) in tightly coupled atomistic-to-continuum multiscale simulations. The program emphasizes the following three research thrusts: 1. UQ and its propagation in atomistic simulations, whether through intrusive or nonintrusive approaches; 2. Extraction of macroscale observables from atomistic simulations and propagation across scales; and 3. Uncertainty quantification and propagation in continuum simulations for macroscale properties tightly coupled with instantaneous states of the atomistic systems. Thus, the project offers to enable the use of multiscale multiphysics simulations as predictive design tools for complex systems.

36 MATERIALS SCIENCE↗