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Uncertainty quantification of CO₂ saturation estimated from electrical resistance tomography data at the Cranfield site

A parametric bootstrap approach is presented for uncertainty quantification (UQ) of CO₂ saturation derived from electrical resistance tomography (ERT) data collected at the Cranfield, Mississippi (USA) carbon sequestration site. There are many sources of uncertainty in ERT-derived CO₂ saturation, but we focus on how the ERT observation errors propagate to the estimated CO₂ saturation in a nonlinear inversion process. Our UQ approach consists of three steps. We first estimated the observational errors from a large number of reciprocal ERT measurements. The second step was to invert the pre-injection baseline data and the resulting resistivity tomograph was used as the prior information for nonlinear inversion of time-lapse data. We assigned a 3% random noise to the baseline model. Finally, we used a parametric bootstrap method to obtain bootstrap CO₂ saturation samples by deterministically solving a nonlinear inverse problem many times with resampled data and resampled baseline models. Then the mean and standard deviation of CO₂ saturation were calculated from the bootstrap samples. We found that the maximum standard deviation of CO₂ saturation was around 6% with a corresponding maximum saturation of 30% for a data set collected 100 days after injection began. There was no apparent spatial correlation between the mean and standard deviation of CO₂ saturation but the standard deviation values increased with time as the saturation increased. The uncertainty in CO₂ saturation also depends on the ERT reciprocal error threshold used to identify and remove noisy data and inversion constraints such as temporal roughness. Five hundred realizations requiring 3.5 h on a single 12-core node were needed for the nonlinear Monte Carlo inversion to arrive at stationary variances while the Markov Chain Monte Carlo (MCMC) stochastic inverse approach may expend days for a global search. This indicates that UQ of 2D or 3D ERT inverse problems can be performed on a laptop or desktop PC.

58 GEOSCIENCES↗

Uncertainty Quantification and Comparison of Weld Residual Stress Measurements and Predictions.

In pressurized water reactors, the prevention, detection, and repair of cracks within dissimilar metal welds is essential to ensure proper plant functionality and safety. Weld residual stresses, which are difficult to model and cannot be directly measured, contribute to the formation and growth of cracks due to primary water stress corrosion cracking. Additionally, the uncertainty in weld residual stress measurements and modeling predictions is not well understood, further complicating the prediction of crack evolution. The purpose of this document is to develop methodology to quantify the uncertainty associated with weld residual stress that can be applied to modeling predictions and experimental measurements. Ultimately, the results can be used to assess the current state of uncertainty and to build confidence in both modeling and experimental procedures. The methodology consists of statistically modeling the variation in the weld residual stress profiles using functional data analysis techniques. Uncertainty is quantified using statistical bounds (e.g. confidence and tolerance bounds) constructed with a semi-parametric bootstrap procedure. Such bounds describe the range in which quantities of interest, such as means, are expected to lie as evidenced by the data. The methodology is extended to provide direct comparisons between experimental measurements and modeling predictions by constructing statistical confidence bounds for the average difference between the two quantities. The statistical bounds on the average difference can be used to assess the level of agreement between measurements and predictions. The methodology is applied to experimental measurements of residual stress obtained using two strain relief measurement methods and predictions from seven finite element models developed by different organizations during a round robin study.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Iron-Chromium-Aluminum Accident Tolerant Fuel Concept Source Term Accident Sequence Analysis - High Burnup Fuel Source Term Accident Sequence Analysis Supplement

To extend NUREG-1465 and high burnup fuel source term (SAND2023-01313) recommendations, representative radiological releases to containment – patterned after NUREG-1465 – have been evaluated for LWRs utilizing iron-chromium-aluminum (FeCrAl) alloys in place of zirconium-based alloys in major core structures (cladding and fuel canisters) and high burnup fuel with enrichments of 8% and 10% for PWRs and BWRs, respectively. Representative radionuclide releases are generated for this accident tolerant fuel concept by applying non-parametric bootstrap methods to MELCOR simulation results. Accident scenarios considered in this analysis include principle contributors to historical core damage frequency estimates for a range of nuclear reactor technologies representative of the operating U.S.A. fleet of nuclear reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cr-coated Accident Tolerant Fuel Concept Source Term Accident Sequence Analysis - High Burnup Fuel Source Term Accident Sequence Analysis Supplement

To extend NUREG-1465 and high burnup fuel source term (SAND2023-01313) recommendations, representative radiological releases to containment – patterned after NUREG-1465 – have been evaluated for LWRs utilizing the chromium-coating on major zircaloy structures (cladding and fuel canisters) and high burnup fuel with enrichments of 8% and 10% for PWRs and BWRs, respectively. Representative radionuclide releases are generated for this accident tolerant fuel concept by applying non-parametric bootstrap methods to MELCOR simulation results. Accident scenarios considered in this analysis include principle contributors to historical core damage frequency estimates for a range of nuclear reactor technologies representative of the operating U.S.A. fleet of nuclear reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Modeling memoryless degradation under variable stress

Accelerated degradation tests can be used as the basis for predicting the performance or state of health of products and materials at use conditions over time. Measurements acquired at accelerated levels of stress are used to develop models that relate to the degradation of one or more performance measures. Frequently, products/materials of interest are subjected to variable stress levels during their lifetimes. However, testing is usually performed only at a few fixed stress levels. In such cases, cumulative degradation models are developed and assessed by using data acquired under those fixed stress conditions. The degradation rate at any stress condition within the range of the model can be estimated by the derivative of the cumulative model at that stress condition. It follows that, to predict cumulative degradation over variable use conditions, one might integrate the fluctuating degradation rate over time. Existing approaches for doing this consider degradation rates that depend only on the current stress level. Here, we propose to allow the degradation rate to also depend on the current state of health as indicated by the associated performance measure(s). The resulting modeling approach is capable of portraying a broader range of degradation behavior than existing approaches. The assertion of memoryless degradation by using this or any other approach should be assessed experimentally with data acquired under variable stress in order to increase confidence that the integrated rate model is accurate. In this article, we demonstrate the additional capability of the proposed approach by developing empirical memoryless rate-based degradation models to predict resistance increase and capacity decrease in lithium-ion cells that are being evaluated for use in electric vehicles. Here, we then assess the plausibility of these models.

42 ENGINEERING↗

Handling Skewed Emission Distributions in Natural Gas Systems

This work was presented at the American Center for Life Cycle Assessment (ACLCA) LCAXVIII Conference in Fort Collins, CO on September 26, 2018. The presentation showed how NETL's LCA program has gradually improved its methods for uncertainty characterization for upstream natural gas and associated power systems. An objective of uncertainty characterization is to understand the role of system variability without introducing more uncertainty to the data. Non-parametric statistical bootstrapping is one technique for accomplishing this objective and is especially useful for skewed, irregularly-shaped probability distributions. Stochastic modeling is effective at retaining data dependencies, even if specific correlations are not identified.

Littlefield, James↗

Uncertainty Input Development for Natural Gas Systems in the U.S. GHG Inventory

This work was presented at the U.S. EPA workshop on modeling oil and natural gas sector emissions in Washington, DC on June 22, 2018. It discusses the data sources that NETL uses for its upstream life cycle natural gas model and prioritizes opportunities for uncertainty characterization. An objective of uncertainty characterization is to understand the role of system variability without introducing more uncertainty to the data. Non-parametric statistical bootstrapping is one technique for accomplishing this objective and is especially useful for skewed, irregularly-shaped probability distributions. When data are not available, expert judgement is appropriate, but should be differentiated from assumptions and data gaps.

Littlefield, James↗

Sci—Fri PM: Topics — 06: The influence of regional dose sensitivity on salivary loss and recovery in the parotid gland

Purpose: The Quantitative Analyses of Normal Tissue Effects in the Clinic (QUANTEC 2010) survey of radiation dose-volume effects on salivary gland function has called for improved understanding of intragland dose sensitivity and the effectiveness of partial sparing in salivary glands. Regional dose susceptibility of sagittally- and coronally-sub-segmented parotid gland has been studied. Specifically, we examine whether individual consideration of sub-segments leads to improved prediction of xerostomia compared with whole parotid mean dose. Methods: Data from 102 patients treated for head-and-neck cancers at the BC Cancer Agency were used in this study. Whole mouth stimulated saliva was collected before (baseline), three months, and one year after cessation of radiotherapy. Organ volumes were contoured using treatment planning CT images and sub-segmented into regional portions. Both non-parametric (local regression) and parametric (mean dose exponential fitting) methods were employed. A bootstrap technique was used for reliability estimation and cross-comparison. Results: Salivary loss is described well using non-parametric and mean dose models. Parametric fits suggest a significant distinction in dose response between medial-lateral and anterior-posterior aspects of the parotid (p<0.01). Least-squares and least-median squares estimates differ significantly (p<0.00001), indicating fits may be skewed by noise or outliers. Salivary recovery exhibits a weakly arched dose response: the highest recovery is seen at intermediate doses. Conclusions: Salivary function loss is strongly dose dependent. In contrast no useful dose dependence was observed for function recovery. Regional dose dependence was observed, but may have resulted from a bias in dose distributions.

60 APPLIED LIFE SCIENCES↗

Bootstrap performance profiles in stochastic algorithms assessment

Optimization with stochastic algorithms has become a relevant research field. Due to its stochastic nature, its assessment is not straightforward and involves integrating accuracy and precision. Performance profiles for the mean do not show the trade-off between accuracy and precision, and parametric stochastic profiles require strong distributional assumptions and are limited to the mean performance for a large number of runs. In this work, bootstrap performance profiles are used to compare stochastic algorithms for different statistics. This technique allows the estimation of the sampling distribution of almost any statistic even with small samples. Multiple comparison profiles are presented for more than two algorithms. The advantages and drawbacks of each assessment methodology are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Uniqueness criteria for the Virasoro-Shapiro amplitude

The scattering amplitudes of string theory exhibit many extraordinary properties. But are they the unique mathematical objects to do so? Recently, it has been shown how the spectrum and amplitudes of open string theory follow directly from the assumptions of faster than power-law falloff at high energies and a property dubbed level truncation. At present there is no analogous principle for closed string scattering, which is famously rigid and naively impervious to modification. In this paper we analytically bootstrap the spectrum and four-point amplitudes of the closed string—together with a parametrized space of deformations—from conditions on high-energy falloff and level truncation. While these deformations exhibit the same Regge scaling as pure gravity, in the tensionless limit they reproduce remarkable extremal amplitudes that have appeared in bottom-up studies of positivity.

Field & string theory models & techniques↗

Holography and Regge phases with U(1) charge

Abstract We use holography to study the large spinJlimit of the spectrum of low energy states with chargeQunder a U(1) conserved current in CFTs ind> 2 dimensions, with a focus ond= 3 andd= 4. ForQ= 2, the spectrum of such states is known to be universal and properly captured by the long-distance limit of holographic theories, regardless of whether the CFT itself is holographic. We study in detail the holographic description of such states atQ> 2, by considering the contribution to the energies ofQscalar particles coming from single photon and graviton exchange in the bulk of AdS; in some cases, scalar exchange and bulk contact terms are also included. For a range of finite values ofQandJ, we numerically diagonalize the Hamiltonian for such states and examine the resulting spectrum and wavefunctions as a function of the dimension ∆ of the charge-one operator and the central charges$$ {c}_{\mathcal{T}} $$ c T ,$$ {c}_{\mathcal{J}} $$ c J of the stress tensor and U(1) current, finding multiple regions in parameter space with qualitatively different behavior. We discuss the extension of these results to the regime of parametrically large chargeQ, as well as to what extent such results are expected to hold universally, beyond the limit of holographic CFTs. We compare our holographic computations to results from the conformal bootstrap for the 3dO(2) model atQ= 3 andQ= 4 and find excellent agreement.

Physics↗

Consideration for the application of artificial neural networks to criticality code validation - 14270

The artificial neural network (ANN) is a consistent example for non-parametric parameter estimation and regression, with powerful universal approximation properties, that is distribution independent. ANN application to criticality code validation centers on aligning mathematical relationships between code validation parameters and neural network prediction for those parameter values. Two specific goals are: (1) an appropriate ANN architecture to determine validation parameter values, and (2) bootstrapping individual ANNs as a 'Prediction Interval' (PI) technique to estimate the Calculation Margin and Upper Subcritical Limit. The individual ANN workflow is segregated into Training, Validation (network), and Testing Sets, where the network predictive properties and performance are expressed in the latter set. The Bootstrap ANN replicates a large set of individual ANNs (taken from the original data distribution) where (1-α/2)100% PI estimates can be determined. Results from the ANN method are compared to a variety of validation examples: a 'toy example' from ANSI/ANS-8.24, Appendix D, a variety of methods noted in a Nuclear Criticality Safety Division 2009 paper, and several validation campaigns for highly enriched uranium and plutonium systems. The ANN method is robust and can be applied to single or multivariate inputs. A trained ANN can provide both an average estimate (e.g., single value) and an estimate over a range of independent variable values where the kUSL can be formed in a regression relationship suitable for extrapolation. The input dependence has been tested, ranging from 15 to over 400 sample size distributions. An expanded Shapiro-Wilk test (for sample sizes up to 5000) was implemented to confirm that the ANN method is transparent to distribution function. The Principle Component Analysis method was applied as an input preprocessing step embedded within the ANN in order to reduce dimensionality and correlation for multivariable inputs. This can potentially aid in determining accurate margins over applying arbitrary margins. The automatic optimization of the Bootstrap ANN PI is left for future consideration. (authors)

42 ENGINEERING↗

The Ensemble Photometric Variability of Over 10 5 Quasars in the Dark Energy Camera Legacy Survey and the Sloan Digital Sky Survey

We present the ensemble variability analysis results of quasars using the Dark Energy Camera Legacy Survey (DECaLS) and the Sloan Digital Sky Survey (SDSS) quasar catalogs. Our data set includes 119,305 quasars with redshifts up to 4.89. Combining the two data sets provides a 15 year baseline and permits the analysis of the long timescale variability. Adopting a power-law form for the variability structure function, $V=A(t/$1years)$^γ$, we use the multidimensional parametric fitting to explore the relationships between the quasar variability amplitude and a wide variety of quasar properties, including redshift (positive), bolometric luminosity (negative), rest-frame wavelength (negative), and black hole mass (uncertain). We also find that γ can be also expressed as a function of redshift (negative), bolometric luminosity (positive), rest-frame wavelength (positive), and black hole mass (positive). Tests of the fitting significance with the bootstrap method show that, even with such a large quasar sample, some correlations are marginally significant. The typical value of $γ$ for the entire data set is $≳0.25$, consistent with the results in previous studies on both the quasar ensemble variability and the structure function. A significantly negative correlation between the variability amplitude and the Eddington ratio is found, which may be explained as an effect of accretion disk instability.

79 ASTRONOMY AND ASTROPHYSICS↗

A frequentist approach to computer model calibration

The paper considers the computer model calibration problem and provides a general frequentist solution. Under the framework proposed, the data model is semiparametric with a non-parametric discrepancy function which accounts for any discrepancy between physical reality and the computer model. In an attempt to solve a fundamentally important (but often ignored) identifiability issue between the computer model parameters and the discrepancy function, the paper proposes a new and identifiable parameterization of the calibration problem. It also develops a two-step procedure for estimating all the relevant quantities under the new parameterization. This estimation procedure is shown to enjoy excellent rates of convergence and can be straightforwardly implemented with existing software. For uncertainty quantification, bootstrapping is adopted to construct confidence regions for the quantities of interest. As a result, the practical performance of the methodology is illustrated through simulation examples and an application to a computational fluid dynamics model.

97 MATHEMATICS AND COMPUTING↗

Exploration with Scalable Gaussian Process Reinforcement Learning

Exploration is a challenging problem in reinforcement learning (RL), especially in environments with sparse rewards. Quantifying and utilizing the parametric uncertainty has been shown to be paramount for successful exploration [Osband et al., 2018]. Bayesian, or approximately Bayesian, methods present a principled means of estimating the parametric uncertainty in RL problems. Gaussian processes, nonparametric Bayesian models, are often impractical due to poor scalability and computational bottlenecks. We introduce a scalable Gaussian process RL (GPRL) method which directly induces sparsity in the covariance matrix to facilitate faster computation. This is a departure from previous GPRL methods which instead rely on data reduction and subsampling. We compare various covariance-based exploration techniques (Thompson sampling, upper confidence bound, and probabilistic maximum variance) which leverage our scalable GP framework in sparse reward environments. Finally, we show favorable comparison against the bootstrapped deep Q-Network.

97 MATHEMATICS AND COMPUTING↗

Lower hybrid current drive favoured by electron cyclotron radiofrequency heating

The important goal of adding to the bootstrap a fraction of non-inductive plasma current, which would be controlled for obtaining and optimizing steady-state profiles, can be reached by using the Current Drive produced by Lower Hybrid waves (LHCD). FTU (Frascati Tokamak Upgrade) experiments demonstrated, indeed, that LHCD is effective at reactor-graded high plasma density, and the LH spectral broadening is reduced, operating with higher electron temperature in the outer region of plasma column (T{sub e-periphery}). This method was obtained following the guidelines of theoretical predictions indicating that the broadening of launched spectrum produced by parametric instability (PI) should be reduced, and the LHCD effect at high density consequently enabled, under higher (T{sub e-periphery}). In FTU, the temperature increase in the outer plasma region was obtained by operating with reduced particle recycling, lithized walls and deep gas fuelling by means of fast pellet. Heating plasma periphery with electron cyclotron resonant waves (ECRH) will provide a further tool for achieving steady-state operations. New FTU experimental results are presented here, demonstrating that temperature effect at the plasma periphery, affecting LH penetration, occurs in a range of plasma parameters broader than in previous work. New information is also shown on the modelling assessing frequencies and growth rates of the PI coupled modes responsible of spectral broadening. Finally, we present the design of an experiment scheduled on FTU next campaign, where ECRH power is used to slightly increase the electron temperature in the outer plasma region of a high-density discharge aiming at restoring LHCD. Consequent to model results, by operating with a toroidal magnetic field of 6.3 T, useful for locating the electron cyclotron resonant layer at the periphery of the plasma column (r/a∼0.8, f{sub 0}=144 GHz), an increase of T{sub e} in the outer plasma (from 40 eV to 80 eV at r/a∼0.8) is expected by the JETTO code, sufficient for recovering LHCD. An ECRH power of 0.8 MW, and the standard FTU regime at high plasma density (n{sub eav}∼1.3×10{sup 20}m{sup −3} and plasma current of 0.5 MA) have been considered. The code has been set with transport modelling to reproduce the evolution of FTU kinetic profiles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗