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At least 361 records · Page 20

Uncertainty Quantification and Sensitivity Analysis for Quantitative Risk Assessments of Hydrogen Infrastructure

Typical QRAs provide deterministic estimates and understanding of risks posed but are constructed using significant assumptions and uncertainties due to limited data availability and historical momentum of using nominal estimates. This report presents a hydrogen QRA analysis using HyRAM+ that incorporates uncertainty with Latin hypercube sampling and sensitivity analysis using linear regression.

08 HYDROGEN↗

Classification Using Support Vector Machines with Uncertainty Quantification

Binary classification using machine learning is needed to address engineering problems such as identifying passing/failing parts based on measured features from aging hardware. In these classifications, providing the uncertainty of each prediction is essential to support engineering decision making. One popular classifier is the support vector machine (SVM). There are many variations, with the simplest being a linear division between two classes with a hyperplane. Kernel methods can be implement

Taylor, Sofia Nitsche↗

Detection of atmospheric rivers with inline uncertainty quantification: TECA-BARD v1.0.1

It has become increasingly common for researchers to utilize methods that identify weather features in climate models. There is an increasing recognition that the uncertainty associated with choice of detection method may affect our scientific understanding. For example, results from the Atmospheric River Tracking Method Intercomparison Project (ARTMIP) indicate that there are a broad range of plausible atmospheric river (AR) detectors and that scientific results can depend on the algorithm used. There are similar examples from the literature on extratropical cyclones and tropical cyclones. It is therefore imperative to develop detection techniques that explicitly quantify the uncertainty associated with the detection of events. We seek to answer the following question: given a “plausible” AR detector, how does uncertainty in the detector quantitatively impact scientific results? We develop a large dataset of global AR counts, manually identified by a set of eight researchers with expertise in atmospheric science, which we use to constrain parameters in a novel AR detection method. We use a Bayesian framework to sample from the set of AR detector parameters that yield AR counts similar to the expert database of AR counts; this yields a set of “plausible” AR detectors from which we can assess quantitative uncertainty. This probabilistic AR detector has been implemented in the Toolkit for Extreme Climate Analysis (TECA), which allows for efficient processing of petabyte-scale datasets. We apply the TECA Bayesian AR Detector, TECA-BARD v1.0.1, to the MERRA-2 reanalysis and show that the sign of the correlation between global AR count and El Niño–Southern Oscillation depends on the set of parameters used.

54 ENVIRONMENTAL SCIENCES↗

Uncertainty Quantification in GADRAS Inverse Modeling

The Gamma Detector Response and Analysis Software (GADRAS) package includes an inverse modeling tool that is helpful in identifying characteristics of unknown radioactive materials. Traditionally, uncertainties in this analysis were derived solely from measurement data quality and the fit of synthetic spectra. This paper aims to rigorously quantify additional sources of uncertainty, focusing on uncertainties arising from measurements being analyzed, Detector Response Function (DRF) characterization, and DRF extrapolation. Applying these findings to the BeRPBall benchmark data set, we demonstrated the impact of these uncertainties on plutonium and polyethylene estimates. The results underscore the importance of incorporating diverse uncertainty sources to enhance the accuracy and reliability of GADRAS’s inverse modeling capabilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Aircraft System Noise Prediction Uncertainty Quantification for a Hybrid Wing Body Subsonic Transport Concept

Aircraft system level noise prediction for advanced, unconventional concepts has undergone significant improvement over the past two decades. The prediction modeling uncertainty must be quantified so that potential benefits of unconventional configurations, which are outside of the range of empirical models, can be reliably assessed. This paper builds on previous work in an effort to improve estimates of element prediction uncertainties where the prediction methodology has been improved, or new experimental validation data are available, to provide an estimate of the system level uncertainty in the prediction process. In general, the uncertainty of the prediction will be strongly dependent on the aircraft configuration as well as which technologies are integrated. While the quantitative uncertainty values contained here are specific to the hybrid wing body design presented, the underlying process is the same regardless of configuration. A refined process for determining the uncertainty for each element of the noise prediction is detailed in this paper. The system level uncertainty in the prediction of the aircraft noise is determined at the three certification points, using a Monte Carlo method. Comparisons with previous work show a reduction of 1 EPNdB in the 95%coverage interval of the cumulative noise level. The largest impediment for continued reduction in uncertainty for the hybrid wing body concept is the need for improved modeling and validation experiments for fan noise, propulsion airframe aeroacoustic effects, and the Krueger flap, which comprise the bulk of the uncertainty in the cumulative certification noise level.

June, Jason C.↗

ASCoT 3: Nonlinear Principal Components Analysis and Uncertainty Quantification in Early Concept Spacecraft Flight Software Cost Estimation

For mission planners and evaluators alike, value in cost models comes from a mean or median prediction, an understanding of the uncertainty on that prediction, and an understanding of model performance. Here we apply advanced statistical and machine learning methods to spacecraft flight software cost, effort, and SLOC estimation, and present the results in the latest version of the Analogy Software Cost Tool (ASCoT). We present in- and out-of-sample performance metrics for our models, each of which incorporate some amount of epistemic uncertainty. ASCoT, hosted on the One NASA Cost Engineering (ONCE) database via the Online NASA Space Estimation Tool (ONSET), was first showcased in 2016 as a number of analogy-based models and methods (kNN and Clustering) to support early project formulation. This ASCoT update improves upon the previous analogic methods by incorporating uncertainty in the data transformations. In particular, we use a Nonlinear Principal Components Analysis (NLPCA) to deal with ordinal data.

Robotic Spacecraft↗

Uncertainty Quantification in Remaining Useful Life of Aerospace Components using State Space Models and Inverse FORM

This paper investigates the use of the inverse first-order reliability method (inverse- FORM) to quantify the uncertainty in the remaining useful life (RUL) of aerospace components. The prediction of remaining useful life is an integral part of system health prognosis, and directly helps in online health monitoring and decision-making. However, the prediction of remaining useful life is affected by several sources of uncertainty, and therefore it is necessary to quantify the uncertainty in the remaining useful life prediction. While system parameter uncertainty and physical variability can be easily included in inverse-FORM, this paper extends the methodology to include: (1) future loading uncertainty, (2) process noise; and (3) uncertainty in the state estimate. The inverse-FORM method has been used in this paper to (1) quickly obtain probability bounds on the remaining useful life prediction; and (2) calculate the entire probability distribution of remaining useful life prediction, and the results are verified against Monte Carlo sampling. The proposed methodology is illustrated using a numerical example.

Sankararaman, Shankar↗

Carbonyl Identification and Quantification Uncertainties for Oxidative Polymer Degradation

The most revealing indicator for oxidative processes or state of degraded plastics is usually carbonyl formation, a key step in materials degradation as part of the carbon cycle for man-made materials. Hence, the identification and quantification of carbonyl species with infrared spectroscopy have been the method of choice for generations, thanks to their strong absorbance and being an essential intermediate in carbon oxidation pathways. Despite their importance, precise identification and quantification can be challenging and rigorous fully traceable data are surprisingly rare in the existing literature. An overview of the complexity of carbonyl quantification is presented by the screening of reference compounds in solution with transmission and polymer films with ATR IR spectroscopy, and systematic data analyses. Significant variances in existing data and their past use have been recognized. Guidance is offered how better measurements and data reporting could be accomplished. Experimental variances depend on the combination of uncertainty in exact carbonyl species, extinction coefficient, contributions from neighboring convoluting peaks, matrix interaction phenomena and instrumental variations in primary IR spectral acquisition (refractive index and penetration depth for ATR measurements). In addition, diverging sources for relevant extinction coefficients may exist, based on original spectral acquisition. For common polymer degradation challenges, a relative comparison of carbonyl yields for a material is easily accessible, but quantification for other purposes, such as degradation rates and spatially dependent interpretation, requires thorough experimental validation. All variables featured in this overview demonstrate the significant error margins in carbonyl quantification, with exact carbonyl species and extinction coefficients already being major contributors on their own.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncertainty Quantification for Point Spread Functions in X-Ray Radiography

X-ray radiographers have tools for estimating the point spread function (PSF) which determines the extent of the blur in images. Knowledge of uncertainties in their estimations can be extremely valuable, and existing methods do not provide this information. We have developed a new technique using a Bayesian framework that will provide useful uncertainties to the estimated PSF.

point spread function↗

Uncertainty quantification of optical models in fission fragment deexcitation

Here, we take the first step towards incorporating compound nuclear observables at astrophysically relevant energies into the experimental evidence used to constrain optical models, by propagating the uncertainty in two global optical potentials, one phenomenological and one microscopic, to correlated fission observables using the Monte Carlo Hauser-Feshbach formalism. We compare to a wide range of historic and recent experimental fission measurements, and discuss in detail regions of disagreement. We find that the parametric optical model uncertainty in neutron-fragment correlated observables involving neutron energy is significant. On the other hand, we observe that other experimental features, particularly neutron-fragment correlations near the 132 Sn shell closure and the high energy component of neutron spectra, are unlikely to be explained by the optical potential, and will require further experimental and theoretical effort to explain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Surrogate multi-fidelity data and model fusion for scientific discovery and uncertainty quantification in Earth System Models

This whitepaper addresses the Earth and Environmental Systems Sciences Division (EESSD)’s predictability challenges in modeling the integrated water cycle and data-model integration. Specifically, it focuses on reducing and characterizing the uncertainty in the representation of process models for unresolved physics, either due to model resolution or limited by the physical under standing or computational efficiency, and the use of observational data for in-situ process parameter optimization within ESM. The described methods may also be used to determine the nature of responses (e.g. strength and direction), and hence to identify critical processes that drive the overall ESM responses to perturbation in the forcing

54 ENVIRONMENTAL SCIENCES↗

Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets

Abstract With the increasingly more important role of machine learning (ML) models in chemical research, the need for putting a level of confidence to the model predictions naturally arises. Several methods for obtaining uncertainty estimates have been proposed in recent years but consensus on the evaluation of these have yet to be established and different studies on uncertainties generally uses different metrics to evaluate them. We compare three of the most popular validation metrics (Spearman’s rank correlation coefficient, the negative log likelihood (NLL) and the miscalibration area) to the error-based calibration introduced by Levi et al. ( Sensors 2022 , 22 , 5540). Importantly, metrics such as the negative log likelihood (NLL) and Spearman’s rank correlation coefficient bear little information in themselves. We therefore introduce reference values obtained through errors simulated directly from the uncertainty distribution. The different metrics target different properties and we show how to interpret them, but we generally find the best overall validation to be done based on the error-based calibration plot introduced by Levi et al. Finally, we illustrate the sensitivity of ranking-based methods (e.g. Spearman’s rank correlation coefficient) towards test set design by using the same toy model ferent test sets and obtaining vastly different metrics (0.05 vs. 0.65).

Rasmussen, Maria H.↗

Error and Uncertainty Quantification in the Numerical Simulation of Complex Fluid Flows

The failure of numerical simulation to predict physical reality is often a direct consequence of the compounding effects of numerical error arising from finite-dimensional approximation and physical model uncertainty resulting from inexact knowledge and/or statistical representation. In this topical lecture, we briefly review systematic theories for quantifying numerical errors and restricted forms of model uncertainty occurring in simulations of fluid flow. A goal of this lecture is to elucidate both positive and negative aspects of applying these theories to practical fluid flow problems. Finite-element and finite-volume calculations of subsonic and hypersonic fluid flow are presented to contrast the differing roles of numerical error and model uncertainty. for these problems.

Barth, Timothy J.↗

Uncertainty quantification for Multiphase-CFD simulations of bubbly flows: a machine learning-based Bayesian approach supported by high-resolution experiments

In this paper, we developed a machine learning-based Bayesian approach to inversely quantify and reduce the uncertainties of multiphase computational fluid dynamics (MCFD) simulations for bubbly flows. The proposed approach is supported by high-resolution two-phase flow measurements, including those by double-sensor conductivity probes, high-speed imaging, and particle image velocimetry. Local distributions of key physical quantities of interest (QoIs), including the void fraction and phasic velocities, are obtained to support the Bayesian inference. In the process, the epistemic uncertainties of the closure relations are inversely quantified while the aleatory uncertainties from stochastic fluctuations of the system are evaluated based on experimental uncertainty analysis. The combined uncertainties are then propagated through the MCFD solver to obtain uncertainties of the QoIs, based on which probability-boxes are constructed for validation. The proposed approach relies on three machine learning methods: feedforward neural networks and principal component analysis for surrogate modeling, and Gaussian processes for model form uncertainty modeling. The whole process is implemented within the framework of an open-source deep learning library PyTorch with graphics processing unit (GPU) acceleration, thus ensuring the efficiency of the computation. The results demonstrate that with the support of high-resolution data, the uncertainties of MCFD simulations can be significantly reduced. The proposed approach has the potential for other applications that involve numerical models with empirical parameters.

42 ENGINEERING↗

Uncertainty quantification for neutrino opacities in core-collapse supernovae and neutron star mergers

We perform an extensive study of the correlations between the neutrino-nucleon inverse mean free paths (IMFPs) and the underlying equation of states (EoSs). Strong interaction uncertainties in the neutrino mean free path are investigated in different density regimes. The nucleon effective mass, the nucleon chemical potentials, and the residual interactions in the medium play an important role in determining neutrino-nucleon interactions in a density-dependent manner. Here we study how the above quantities are constrained by an EoS consistent with (i) nuclear mass measurements, (ii) proton-proton scattering phase shifts, and (iii) neutron star observations. We then study the uncertainties of both the charged current and the neutral current neutrino-nucleon inverse mean free paths due to the variation of these quantities, using the Hartree-Fock+random phase approximation method. Finally, we calculate the Pearson correlation coefficients between (i) the EoS-based quantities and the EoS-based quantities; (ii) the EoS-based quantities and the IMFPs; (iii) the IMFPs and the IMFPs. We find a strong impact of residual interactions on neutrino opacity in the spin and spin-isospin channels, which are not well constrained by current nuclear modelings.

79 ASTRONOMY AND ASTROPHYSICS↗

MLUQ (Uncertainty quantification for ML closure models) [SWR-24-36]

Data-based closure models are increasingly being used to replace physic-based closure models because of their flexibility and the growing availability of data. However, closure models are subject to uncertainty because of lack of data in parts of the input space (epistemic uncertainty) or because of noise in the data (aleatoric uncertainty). This software contains a toolbox for training bayesian neural nets that can estimate both uncertainties. A specific treatment is provided to ensure accuracy outside of the data distribution. A set of tools are provided to reduce the dimensionality of the uncertain parameter space, thereby enabling fast uncertainty propagation.

Hassanaly, Malik↗

Evaluating the Potential and Challenges of an Uncertainty Quantification Method for Long Short–Term Memory Models for Soil Moisture Predictions

Recently, recurrent deep networks have shown promise to harness newly available satellite–sensed data for long–term soil moisture projections. However, to be useful in forecasting, deep networks must also provide uncertainty estimates. Here we evaluated Monte Carlo dropout with an input–dependent data noise term (MCD+N), an efficient uncertainty estimation framework originally developed in computer vision, for hydrologic time series predictions. MCD+N simultaneously estimates a heteroscedastic input–dependent data noise term (a trained error model attributable to observational noise) and a network weight uncertainty term (attributable to insufficiently constrained model parameters). Although MCD+N has appealing features, many heuristic approximations were employed during its derivation, and rigorous evaluations and evidence of its asserted capability to detect dissimilarity were lacking. To address this, we provided an in–depth evaluation of the scheme's potential and limitations. We showed that for reproducing soil moisture dynamics recorded by the Soil Moisture Active Passive (SMAP) mission, MCD+N indeed gave a good estimate of predictive error, provided that we tuned a hyperparameter and used a representative training data set. The input–dependent term responded strongly to observational noise, while the model term clearly acted as a detector for physiographic dissimilarity from the training data, behaving as intended. However, when the training and test data were characteristically different, the input–dependent term could be misled, undermining its reliability. Additionally, due to the data–driven nature of the model, data noise also influences network weight uncertainty, and therefore the two uncertainty terms are correlated. Altogether, this approach has promise, but care is needed to interpret the results.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of CFD as a Surrogate for Wind Tunnel Testing - Experimental Uncertainty Quantification

A series of wind tunnel tests is being performed at the Unitary Plan Wind Tunnel at Langley Research Center to assess the validity of using computational fluid dynamics (CFD) as a surrogate for wind tunnel testing. In order to make proper comparisons, uncertainties in CFD results and experimental data must be well understood. The material presented will highlight the methods, assumptions, and elemental inputs used to achieve experimental uncertainty estimates for several variables of interest.The work performed to date has focused on gaining insight into random uncertainty via statistical analysis of repeat data and systematic uncertainty via Monte Carlo propagation analysis. These methods were combined using a second-order Monte Carlo propagation, resulting in a probability box (P-box) for each variable and at all conditions of interest. Figure 1 provides an example of one such P-box, showing the experimental uncertainty in a locally determined dynamic pressure (QC10) for one of many tunnel conditions evaluated during the Flow Survey experiment. This particular condition (Condition 27) has nominal set points of Mach number = 3.85, Reynolds number = 3x10(exp 6) ft(exp -1), total pressure = 5160 psfa, and total temperature = 150°F. The uncertainty in dynamic pressure at this condition is now well defined by this plot. Armed with this experimental data uncertainty, meaningful comparisons can be made with computational results, when their associated uncertainties are also considered.

Heather P Houlden↗