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At least 937 records · Page 52

Uncertainty quantification of fireball features extracted from nuclear test films using computer vision

Films from the US’s historic nuclear testing era comprise the only extensive collection of imagery depicting high-yield detonations. These films offer unique insights into the characteristics of flows occurring on scales that are difficult to replicate experimentally, and they are a valuable source of data for the validation of models used to describe nuclear detonations. In recent work, we implemented modern computer vision and machine learning techniques to extract features of the fireball following nuclear detonation. With a training dataset of fireball films, we fine-tuned a You Only Look Once 11 (YOLO11) model to detect and track the fireball. Applied to a video, the outer bounding box produced in each frame by YOLO11 is used as an input prompt to Meta’s Segment Anything Model 2 (SAM2), which is shown to accurately predict the boundary of the fireball over time with high resolution. These state-of-the-art computer vision foundation models exhibit impressive visual accuracy in their results but lack an output of values that robustly quantify uncertainty in scientific applications. In this paper, we develop procedures for uncertainty quantification of extracted fireball features. We outline the application of a parallel attention mechanism to calculate uncertainty ranges that complement and better pose model validation data. This higher quality fireball validation data may serve to improve prognostic models describing nuclear detonations in support of nuclear forensic and emergency response activities.

Khristy, Joel [ORNL] (ORCID:0000000209963060)↗

The influence of secondary electron yield uncertainty on the single-sided multipacting in dielectrics

Multipacting is an electrical discharge caused by the emission of secondary electrons which can occur in vacuum radio frequency systems. Generally multipacting is highly undesirable obstacle, which increases the noise level as well as the return loss of radio frequency systems. Therefore, a prediction of multipacting is necessary to avoid it during radio frequency system design. In this regard, the accurate evaluation of the factors that affect multipacting is required. One of the critical factors determining the multipacting development is the secondary electron yield of the material. In practice the emission properties of materials are not known very accurately. There are uncertainties in the measured values of this yield. In this paper, the generalized Polynomial Chaos (gPC) method is used to quantify uncertainty of the secondary electron yield. This method is verified by Monte Carlo simulation. The effect of uncertainty for two secondary electron yield parameters is then investigated on the multipacting using gPC method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

XRD-PUAT (X-Ray Diffraction - Parameter Uncertainty Analysis Toolkit)

This XRD uncertainty toolkit was built to investigate uncertainty and local least squares topology over a specified parameter space on a single histogram in a gpx GSAS-II file. The parameter uncertainty can be investigated using either a frequentist F-test approach or a Bayesian Inference statistical inversion method on a weighted least squares or peak fit refinements.SAND Number: SAND2020-12227 M 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.

Moore, Alexander↗

Evaluation and Uncertainty of Radioxenon Transport with a Mesoscale Model after the February 2013 Underground Test in North Korea

Abstract The transport of radioxenon released from the February 2013 underground nuclear weapons test in North Korea was analyzed at two receptors—one at the Comprehensive Nuclear Test Ban Treaty site Rn58 in Russia (400 km downwind) and a second at Rn38 in Japan (1000 km downwind). Transport was modeled with two ensembles of mesoscale simulations, one generated with varying initial and lateral boundary conditions taken from the Global Forecasting System uncertainty ensemble, and a second created from different parameterizations and surface conditions. The wind variability was similar for the two ensembles and consistent with observations at 925 mb (1 mb = 1 hPa) but not at the surface. Biases in calculated surface winds and the radioxenon concentration in the ensembles were attributed mainly to poor simulation of the sea breeze at both locations and mountain lee affects at Rn38 in Japan. These wind regimes affected the timing of the surface radioxenon plume at Rn58 and its duration at Rn38. Surface wind variability induced by terrain and land–sea contrast (the sea breeze) also had a significant effect on the surface winds and plume dynamics, including blocking of flow approaching elevated terrain near Vladivostok and the west side of Japan. Increased plume uncertainty was seen at night because of surface wind variability. Measured surface chemical variability was larger than found in the first European Tracer Experiment in central Europe. The study found that horizontal model resolution contributes to uncertainty but not as much as vertical resolution, boundary layer parameterizations, and assimilation of surface meteorological data near the receptor.

54 ENVIRONMENTAL SCIENCES↗

A Comprehensive Analysis of Uncertainties in Warm-Rain Parameterizations in Climate Models Based on In Situ Measurements

Abstract Because of the coarse grid size of Earth system models (ESMs), representing warm-rain processes in ESMs is a challenging task involving multiple sources of uncertainty. Previous studies evaluated warm-rain parameterizations mainly according to their performance in emulating collision–coalescence rates for local droplet populations over a short period of a few seconds. The representativeness of these local process rates comes into question when applied in ESMs for grid sizes on the order of 100 km and time steps on the order of 20–30 min. We evaluate several widely used warm-rain parameterizations in ESM application scenarios. In the comparison of local and instantaneous autoconversion rates, the two parameterization schemes based on numerical fitting to stochastic collection equation (SCE) results perform best. However, because of Jessen’s inequality, their performance deteriorates when grid-mean, instead of locally resolved, cloud properties are used in their simulations. In contrast, the effect of Jessen’s inequality partly cancels the overestimation problem of two semianalytical schemes, leading to an improvement in the ESM-like comparison. In the assessment of uncertainty due to the large time step of ESMs, it is found that the rainwater tendency simulated by the SCE is roughly linear for time steps smaller than 10 min, but the nonlinearity effect becomes significant for larger time steps, leading to errors up to a factor of 4 for a time step of 20 min. After considering all uncertainties, the grid-mean and time-averaged rainwater tendency based on the parameterization schemes is mostly within a factor of 4 of the local benchmark results simulated by SCE.

Meteorology & Atmospheric Sciences↗

Addressing uncertainty in genome-scale metabolic model reconstruction and analysis

The reconstruction and analysis of genome-scale metabolic models constitutes a powerful systems biology approach, with applications ranging from basic understanding of genotype-phenotype mapping to solving biomedical and environmental problems. However, the biological insight obtained from these models is limited by multiple heterogeneous sources of uncertainty, which are often difficult to quantify. Here we review the major sources of uncertainty and survey existing approaches developed for representing and addressing them. A unified formal characterization of these uncertainties through probabilistic approaches and ensemble modeling will facilitate convergence towards consistent reconstruction pipelines, improved data integration algorithms, and more accurate assessment of predictive capacity.

59 BASIC BIOLOGICAL SCIENCES↗

Quantification of neural networks uncertainties with applications to SAFARI-1 axial neutron flux profiles

Deep Neural Networks (DNNs) have been widely used as a data-driven modelling tool in nuclear engineering. However, as a Machine Learning model, Artificial Neural Network (ANN) predictions are subjected to uncertainties originating from the noise in training data, incomplete coverage of the domain, and imperfect neural network architectures. In this work, we target at quantifying the prediction/approximation uncertainties of ANNs using Monte Carlo Dropout (MCD), as well as Bayesian Neural Networks (BNNs) which are solved by variational inference. With a demonstration problem in which neural networks are used to predict the assembly axial neutron flux profiles, the results have shown that the three different neural network models (regular DNNs, DNNs solved with MCD and BNNs) can produce results that agree very well among each other and with the measurement data, on cycles that are not used in the training process. Besides the excellent generalization capability, the uncertainty bands produced by MCD and BNN agree very well, and in general, they can fully envelop the noisy measurement data points. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Design and execution of a verification, validation, and uncertainty quantification plan for a numerical model of left ventricular flow after LVAD implantation

Left ventricular assist devices (LVADs) are implantable pumps that act as a life support therapy for patients with severe heart failure. Despite improving the survival rate, LVAD therapy can carry major complications. Particularly, the flow distortion introduced by the LVAD in the left ventricle (LV) may induce thrombus formation. While previous works have used numerical models to study the impact of multiple variables in the intra-LV stagnation regions, a comprehensive validation analysis has never been executed. The main goal of this work is to present a model of the LV-LVAD system and to design and follow a verification, validation and uncertainty quantification (VVUQ) plan based on the ASME V&V40 and V&V20 standards to ensure credible predictions. The experiment used to validate the simulation is the SDSU cardiac simulator, a bench mock-up of the cardiovascular system that allows mimicking multiple operation conditions for the heart-LVAD system. The numerical model is based on Alya, the BSC’s in-house platform for numerical modelling. Alya solves the Navier-Stokes equation with an Arbitrary Lagrangian-Eulerian (ALE) formulation in a deformable ventricle and includes pressure-driven valves, a 0D Windkessel model for the arterial output and a LVAD boundary condition modeled through a dynamic pressure-flow performance curve. The designed VVUQ plan involves: (a) a risk analysis and the associated credibility goals; (b) a verification stage to ensure correctness in the numerical solution procedure; (c) a sensitivity analysis to quantify the impact of the inputs on the four quantities of interest (QoIs) (average aortic root flow $Q^{avg}_{Ao}$, maximum aortic root flow $Q^{max}_{Ao}$, average LVAD flow $Q^{avg}_{VAD}$, and maximum LVAD flow $Q^{max}_{VAD}$; (d) an uncertainty quantification using six validation experiments that include extreme operating conditions. Numerical code verification tests ensured correctness of the solution procedure and numerical calculation verification showed a grid convergence index (GCI)95% <3.3%. The total Sobol indices obtained during the sensitivity analysis demonstrated that the ejection fraction, the heart rate, and the pump performance curve coefficients are the most impactful inputs for the analysed QoIs. The Minkowski norm is used as validation metric for the uncertainty quantification. It shows that the midpoint cases have more accurate results when compared to the extreme cases. The total computational cost of the simulations was above 100 [core-years] executed in around three weeks time span in Marenostrum IV supercomputer. This work details a novel numerical model for the LV-LVAD system, that is supported by the design and execution of a VVUQ plan created following recognised international standards. We present a methodology demonstrating that stringent VVUQ according to ASME standards is feasible but computationally expensive.

59 BASIC BIOLOGICAL SCIENCES↗

BayFlux: A Bayesian method to quantify metabolic Fluxes and their uncertainty at the genome scale

Metabolic fluxes, the number of metabolites traversing each biochemical reaction in a cell per unit time, are crucial for assessing and understanding cell function. 13 C Metabolic Flux Analysis ( 13 C MFA) is considered to be the gold standard for measuring metabolic fluxes. 13 C MFA typically works by leveraging extracellular exchange fluxes as well as data from 13 C labeling experiments to calculate the flux profile which best fit the data for a small, central carbon, metabolic model. However, the nonlinear nature of the 13 C MFA fitting procedure means that several flux profiles fit the experimental data within the experimental error, and traditional optimization methods offer only a partial or skewed picture, especially in “non-gaussian” situations where multiple very distinct flux regions fit the data equally well. Here, we present a method for flux space sampling through Bayesian inference (BayFlux), that identifies the full distribution of fluxes compatible with experimental data for a comprehensive genome-scale model. This Bayesian approach allows us to accurately quantify uncertainty in calculated fluxes. We also find that, surprisingly, the genome-scale model of metabolism produces narrower flux distributions (reduced uncertainty) than the small core metabolic models traditionally used in 13 C MFA. The different results for some reactions when using genome-scale models vs core metabolic models advise caution in assuming strong inferences from 13 C MFA since the results may depend significantly on the completeness of the model used. Based on BayFlux, we developed and evaluated novel methods (P- 13 C MOMA and P- 13 C ROOM) to predict the biological results of a gene knockout, that improve on the traditional MOMA and ROOM methods by quantifying prediction uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗

Ising-Traffic: Using Ising Machine Learning to Predict Traffic Congestion under Uncertainty

This paper addresses the challenges in accurate and realtime traffic congestion prediction with uncertainty by proposing Ising-Traffic, a novel quantum-inspired dual-model Ising based traffic prediction framework which delivers higher accuracy and lower latency than SOTA solutions. While traditional and deep learning methods face the trade-off between algorithm complexity and computational efficiency, our Ising-based method leverages Ising’s inherent and unique capability of finding the state of a system with the lowest energy and applying it to traffic prediction. In this work, traffic prediction under uncertainty is formulated into two separate Ising models: Reconstruct-Ising and Predict-Ising. Reconstruct-Ising is mapped onto modern Ising machine and handles uncertainty in traffic accurately with negligible latency and energy consumption, while Predict-Ising is mapped onto traditional processors and predicts future congestion precisely with only at most 1.8% computational demands of existing solutions. Our evaluation shows Ising-Traffic delivers on average 98× speedups and 5% accuracy improvement over SOTA.

traffic flow control, Ising↗

Generating Uncertainty Distributions for Seismic Signal Onset Times

Signal arrival-time estimation plays a critical role in a variety of downstream seismic analyses, including location estimation and source characterization. Any arrival-time errors propagate through subsequent data-processing results. In this article, we detail a general framework for refining estimated seismic signal arrival times along with full estimation of their associated uncertainty. Using the standard short-term average/long-term average threshold algorithm to identify a search window, we demonstrate how to refine the pick estimate through two different approaches. In both cases, new waveform realizations are generated through bootstrap algorithms to produce full a posteriori estimates of uncertainty of onset arrival time of the seismic signal. The onset arrival uncertainty estimates provide additional data-derived information from the signal and have the potential to influence seismic analysis along several fronts.

58 GEOSCIENCES↗

How Good Is Your Location? Comparing and Understanding the Uncertainties in Location for the 1993 Rock Valley Sequence

Accurate event locations are important for many endeavors in seismology, and understanding the factors that contribute to uncertainties in those locations is complex. In this article, we present a case study that takes an in-depth look at the accuracy and precision possible for locating nine shallow earthquakes in the Rock Valley fault zone in southern Nevada. These events are targeted by the Rock Valley Direct Comparison phase of the Source Physics Experiment, as candidates for the colocation of a chemical explosion with an earthquake hypocenter to directly compare earthquake and explosion sources. For this comparison, it is necessary to determine earthquake hypocenters as accurately as possible so that different source types have nearly identical locations. Our investigations include uncertainty analysis from different sets of phase arrivals, stations, velocity models, and location algorithms. For a common set of phase arrivals and stations, we find that epicentral locations from different combinations of velocity models and algorithms are within 600 m of one another in most cases. Event depths exhibit greater uncertainties, but focusing on the S-P times at the nearest station allows for estimates within approximately 500 m.

58 GEOSCIENCES↗

AutoUncertainties: A Python Package for Uncertainty Propagation

Propagation of uncertainties is of great utility in the experimental sciences. While the rules of (linear) uncertainty propagation are straightforward, managing many variables with uncertainty information can quickly become complicated in large scientific software stacks. Often, this requires programmers to keep track of many variables and implement custom error propagation rules for each mathematical operator and function. The Python package AutoUncertainties, described here, provides a solution to this problem.

97 MATHEMATICS AND COMPUTING↗

Iterative HOMER with uncertainties

We present iHOMER, an iterative version of the HOMER method to extract Lund fragmentation functions from experimental data. Through iterations, we address the information gap between latent and observable phase spaces and systematically remove bias. To quantify uncertainties on the inferred weights, we use a combination of Bayesian neural networks and uncertainty-aware regression. We find that the combination of iterations and uncertainty quantification produces well-calibrated weights that accurately reproduce the data distribution. A parametric closure test shows that the iteratively learned fragmentation function is compatible with the true fragmentation function.

Butter, Anja [Heidelberg Univ. (Germany); Sorbonne↗

Quantifying uncertainties in crystal electric field Hamiltonian fits to neutron data

We systematically examine uncertainties from fitting rare earth single-ion crystal electric field (CEF) Hamiltonians to inelastic neutron scattering data. Using pyrochlore and delafossite structures as test cases, we find that uncertainty in CEF parameters can be large despite visually excellent fits. These results show Yb ^{3+} 3 + compounds have particularly large g g -tensor uncertainty because of the few available peaks. In such cases, additional constraints are necessary for meaningful fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Uncertainty analysis of Resource Demand Model for Covid-19

As part of the Department of Energy response to the novel coronavirus pandemic of 2020, a modeling effort was sponsored by the DOE Office of Science. One task of this modeling effort at Sandia was to develop a model to predict medical resource needs given various patient arrival scenarios. Resources needed include personnel resources (nurses, ICU nurses, physicians, respiratory therapists), fixed resources (regular or ICU beds and ventilators), and consumable resources (masks, gowns, gloves, face shields, sedatives). This report documents the uncertainty analysis that was performed on the resource model. The uncertainty analysis involved sampling 26 input parameters to the model. The sampling was performed conditional on the patient arrival streams that also were inputs to the model. These patient arrival streams were derived from various epidemiology models and had a significant effect on the projected resource needs. In this report, we document the sampling approach, the parameter ranges used, and the computational workflow necessary to perform large-scale uncertainty studies for every county and state in the United States.

59 BASIC BIOLOGICAL SCIENCES↗

Uncertainties in Density and Simulation Parameters for Radiographic Reconstructions Using Machine Learning

We will develop new and improved methods that will enable a fuller and more extensive use of experimental data, such as from radiographic imaging, towards better characterizing and reducing uncertainties in predictive modeling of weapons performance. We will achieve this by leveraging recent developments in the areas of computational imaging, statistical and machine learning, and reduced order modeling. Key new aspects of our approach include (a) a coupling of deep learning based density reconstruction with fast hydrodynamics simulators that will permit the development of certain guarantees on extrapolatability and bounds on certain other hydrodynamics-related para- metric uncertainties and (b) a dual approach towards better characterizing uncertainties in density reconstruction using deep learning based surrogates to accelerate Bayesian reconstructions on the one hand and using variational inference and Bayesian machine learning on the other hand.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Multiscale-Informed Modeling of High Temperature Component Response with Uncertainty Quantification

This report summarizes a joint effort between Argonne National Laboratory, Idaho National Laboratory, and Los Alamos National Laboratory to develop and deploy constitutive models targeted at predicting the life of Grade 91 alloy components subjected to high temperature environments typical of those that structural components in advanced nuclear reactors would experience. Two distinct, but complementary constitutive modeling approaches have been taken here. The first employs a phenomenological viscoplastic model for which parameters have been calibrated based on experimental data for a wide range of Grade 91 alloy that has undergone a variety of processing. A Bayesian approach was used to derive distributions of uncertain parameters for this model based on this data set. The second approach is a reduced order model suitable for engineering-scale analysis that is based on the results of a large set of mesoscale simulations. Mesoscale models allow for the microstructure and composition of a particular alloy to be directly taken into account in the computation of the viscoplastic response, but are computationally expensive, which makes it impractical to directly call those models for the material constitutive response in an engineering-scale simulation. The reduced-order representation of the response of the underlying model used here allows for an engineering-scale model to take into account the characteristics of the underlying microstructure, while only incurring a reasonable computational expense. Both of these approaches have different strengths, and are applicable for different parts of the design/analysis process. The phenomenological models can be readily parameterized based on a set of experimental data for a given class of materials and used for scoping calculations. Once a specific material is chosen and adequately characterized, the reduced order models can accurately predict the response of that specific alloy, and because the models are based on predictive models of the underlying microstructure, they can be used to more confidently predict the response under conditions in regions where there is limited experimental data. Both of these models have been integrated in the Grizzly code, which is used here to perform proof-of-concept uncertainty quantification analyses of a simple component under prototypical conditions. The built- in stochastic analysis capabilities in the MOOSE framework that Grizzly is built on are used here to run large sets of simulations for this uncertainty quantification analysis. As would be expected, because the reduced order models are developed for a much more tightly defined alloy, they predict tighter distributions of the time to failure than the phenomenological models, which are calibrated to a broader set of data. Also important is that these simulations demonstrate that a reduced order modeling approach can be successfully deployed to propagate uncertainties from the material scale to practical engineering-scale component simulations.

42 ENGINEERING↗