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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 109 records · Page 6

Evaluating the limitations of Bayesian metabolic control analysis

Bayesian Metabolic Control Analysis (BMCA) is a promising framework for inferring metabolic control coefficients in data-limited scenarios, combining Bayesian inference with linear-logarithmic (lin-log) rate laws. These metabolic control coefficients quantify how changes in enzyme activities affect steady-state fluxes and metabolite concentrations across a metabolic network. However, its predictive accuracy and limitations remain underexplored. This study systematically evaluates BMCA’s ability to infer elasticity values, flux control coefficients (FCC), and concentration control coefficients (CCC) under varying data availability conditions using three synthetic metabolic network models. We demonstrate that BMCA predictions are highly dependent on the inclusion of flux and enzyme concentration data, with the omission of these datasets leading to severe inaccuracies. In our synthetic, enzyme-perturbation datasets, external metabolite concentrations had minimal impact and, in some cases, their exclusion improved predictions; when external-nutrient perturbations were introduced and those concentrations were observed, gains were at most modest. Additionally, we find that posterior estimation with both ADVI and HMC can underestimate large-magnitude elasticities in our synthetic settings, with ADVI showing somewhat higher variance under strong up-regulation; thus, recovering |elasticity| ≳ 1.5 remains challenging regardless of the inference engine. ADVI also fails to accurately infer allosteric interactions, even when regulatory effects are strong. While BMCA maintains reasonable accuracy in partially recovering the rankings of the highest FCC values, its estimates of absolute values remain constrained by prior assumptions and data limitations. Our findings reveal the BMCA algorithm’s strengths and weaknesses, providing guidance on its application in metabolic engineering, and highlighting the need for methodological refinements to enhance its predictive capabilities.

59 BASIC BIOLOGICAL SCIENCES↗

Revisiting thermodynamics and kinetic diffusivities of uranium–niobium with Bayesian uncertainty analysis

In this paper, thermodynamic and kinetic diffusivities of uranium–niobium (U–Nb) are re-assessed by means of the CALPHAD (CALculation of PHAse Diagram) methodology. In order to improve the consistency and reliability of the assessments, first-principles calculations are coupled with CALPHAD. In particular, heats of formation of γ -U–Nb are estimated and verified using various density-functional theory (DFT) approaches. These thermochemistry data are then used as constraints to guide the thermodynamic optimization process in such a way that the mutual-consistency between first-principles calculations and CALPHAD assessment is satisfactory. In addition, long-term aging experiments are conducted in order to generate new phase equilibria data at the γ 2 /α+γ 2 boundary. These data are meant to verify the thermodynamic model. Assessment results are generally in good agreement with experiments and previous calculations, without showing the artifacts that were observed in previous modeling. The mutual-consistent thermodynamic description is then used to evaluate atomic mobility and diffusivity of γ-U–Nb. Finally, Bayesian analysis is conducted to evaluate the uncertainty of the thermodynamic model and its impact on the system's phase stability.

36 MATERIALS SCIENCE↗

Interpretation of Urinary Excretion Data From Plutonium Wound Cases Treated With DTPA: Application of Different Models and Approaches

After a chelation treatment, assessment of intake and doses is the primary concern of an internal dosimetrist. Using the urinary excretion data from two actual wound cases encountered at Los Alamos National Laboratory (LANL), this study discusses several methods that can be used to interpret intakes from the urinary data collected after one or multiple chelation treatments. One of the methods uses only the data assumed to be unaffected by chelation (data collected beyond 100 d after the last treatment). This method, used by many facilities for official dose records, was implemented by employing maximum likelihood analysis and Bayesian analysis methods. The impacts of an improper assumption about the physicochemical behavior of a radioactive material and the importance of the use of a facility-specific biokinetic model when available have also been demonstrated. Another method analyzed both the affected and unaffected urinary data using an empirical urinary excretion model. This method, although case-specific, was useful in determining the actual intakes and the doses averted or the reduction in body burdens due to chelation treatments. Finally, this approach was important in determining the enhancement factors, the behavior of the chelate, and other observations that may be pertinent to several DTPA compartmental modeling approaches being conducted by the health physics community.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NONPARAMETRIC EMPIRICAL BAYES ESTIMATION THROUGH DECONVOLUTION IN PROBABILISTIC RISK ANALYSIS

The advent of Markov Chain Monte Carlo (MCMC) simulations and availability of open source software made full hierarchical Bayesian analysis tractable and a popular choice in parameter estimation for Probabilistic Risk Assessment (PRA). However, despite its theoretical attractiveness, the hierarchical Bayesian analysis is not without its problems. Two of the most prominent practical difficulties in applying hierarchical Bayes analysis in practice to analyze source-to-source variability, for example, is its sensitivity to the selection of the first-stage prior and dependence of the rate of convergence on the selection of the first-stage prior. The first-stage prior in hierarchical Bayesian analysis is usually assumed having a parametric form, often conjugate to the likelihood function (aleatory model). To facilitate convergence for hierarchical Bayes models, the first-stage prior is frequently set through empirical Bayes estimate, which can use available historical data to find the parameters of the first-stage prior. The paper discusses a new nonparametric empirical Bayes estimation and compare it to several well-known parametric estimates such as method of moments and maximum likelihood. The new nonparametric technique exploits the prior predictive distribution as integral equation and proceeds to solve it with respect to prior assuming the sampling data distribution and aleatory model are available. The discussion covers topics such as selection of aleatory model for future data, selection of regularization parameter, and density estimation for historical data. For comparison, the paper is using contrived as well as real-world data from utilities. Utilities data represent failure data with Poisson distribution used for aleatory model.

97 MATHEMATICS AND COMPUTING↗

Imprecise global sensitivity analysis using bayesian multimodel inference and importance sampling

Global Sensitivity Analysis (GSA) aims to understand the relative importance of uncertain input variables to model response. Conventional GSA involves calculating sensitivity (Sobol’) indices for a model with known model parameter distributions. However, model parameters are affected by aleatory and epistemic uncertainty, with the latter often caused by lack of data. In this paper, we propose a new framework to quantify uncertainty in probability model-form and model parameters resulting from small datasets and integrate these uncertainties into Sobol’ index estimates. First, the process establishes, through Bayesian multimodel inference, a set of candidate probability models and their associated probabilities. Imprecise Sobol’ indices are calculated from these probability models using an importance sampling reweighting approach. This results in probabilistic Sobol’ indices, whose distribution characterizes uncertainty in the sensitivity resulting from small dataset size. The imprecise Sobol’ indices thus provide a measure of confidence in the sensitivity estimate and, moreover, can be used to inform data collection efforts targeted to minimize the impact of uncertainties. Through an example studying the parameters of a Timoshenko beam, we show that these probabilistic Sobol’ indices converge to the true/deterministic Sobol’ indices as the dataset size increases and hence, distribution-form uncertainty reduces. The approach is then applied to assess the sensitivity of the out-of-plane properties of an E-glass fiber composite material to its constituent properties. This second example illustrates the approach for an important class of materials with wide-ranging applications when data may be lacking for some input parameters.

42 ENGINEERING↗

Integrating Survival Analysis with Bayesian Statistics to Forecast the Remaining Useful Life of a Centrifugal Pump Conditional to Multiple Fault Types

To improve the viability of nuclear power plants, there is a need to reduce their operational costs. Operational costs account for a significant portion of a plant’s yearly budget, due to their scheduled-based maintenance approach. In order to reduce these costs, proactive methods are required that estimate and forecast the state of a machine in real time to optimize maintenance schedules. In this research, we use Bayesian networks to develop a framework that can forecast the remaining useful life of a centrifugal pump. To do so, we integrate survival analysis with Bayesian statistics to forecast the health of the pump conditional to its current state. We complete our research by successfully using the Bayesian network on a case study. This solution provides an informed probabilistic viewpoint of the pumping system for the purpose of predictive maintenance.

42 ENGINEERING↗

Nuclear stockpile stewardship and Bayesian image analysis (DARHT and the BIE)

Since the end of nuclear testing, the reliability of our nation's nuclear weapon stockpile has been performed using sub-critical hydrodynamic testing. These tests involve some pretty 'extreme' radiography. We will be discussing the challenges and solutions to these problems provided by DARHT (the world's premiere hydrodynamic testing facility) and the BIE or Bayesian Inference Engine (a powerful radiography analysis software tool). We will discuss the application of Bayesian image analysis techniques to this important and difficult problem.

42 ENGINEERING↗

Studies in Astronomical Time Series Analysis. VI. Bayesian Block Representations

This paper addresses the problem of detecting and characterizing local variability in time series and other forms of sequential data. The goal is to identify and characterize statistically significant variations, at the same time suppressing the inevitable corrupting observational errors. We present a simple nonparametric modeling technique and an algorithm implementing it-an improved and generalized version of Bayesian Blocks [Scargle 1998]-that finds the optimal segmentation of the data in the observation interval. The structure of the algorithm allows it to be used in either a real-time trigger mode, or a retrospective mode. Maximum likelihood or marginal posterior functions to measure model fitness are presented for events, binned counts, and measurements at arbitrary times with known error distributions. Problems addressed include those connected with data gaps, variable exposure, extension to piece- wise linear and piecewise exponential representations, multivariate time series data, analysis of variance, data on the circle, other data modes, and dispersed data. Simulations provide evidence that the detection efficiency for weak signals is close to a theoretical asymptotic limit derived by [Arias-Castro, Donoho and Huo 2003]. In the spirit of Reproducible Research [Donoho et al. (2008)] all of the code and data necessary to reproduce all of the figures in this paper are included as auxiliary material.

signal detection↗

Enhancing Fault Isolation for Health Monitoring of Electric Aircraft Propulsion by Embedding Failure Mode and Effect Analysis into Bayesian Networks

This paper describes a fault isolation approach for electric powertrains of unmanned aerial vehicles. The approach leverages the combination of failure mode and effect analysis (FMEA) and Bayesian networks, thus introducing depend-ability structures into a diagnostic framework. Faults and failure events from the FMEA are mapped within a Bayesian network, where network edges replicate the links embedded within FMEAs. This framework helps the fault isolation process by identifying the probability of occurrence of specific faults or root causes given evidence observed through sensor signals. The framework is applied to an electric power-train system of a small, rotary-wing unmanned aerial vehicle, demonstrating how a Bayesian network enhanced by FMEA helps disambiguate between root causes of incipient failures, which would otherwise be considered as equally probable.

Fault Isolation↗

OGLE-2008-BLG-355Lb: A massive planet around a late-type star

We report the discovery of a massive planet, OGLE-2008-BLG-355Lb. The light curve analysis indicates a planet:host mass ratio of q = 0.0118 ± 0.0006 at a separation of 0.877 ± 0.010 Einstein radii. We do not measure a significant microlensing parallax signal and do not have high angular resolution images that could detect the planetary host star. Therefore, we do not have a direct measurement of the host star mass. A Bayesian analysis, assuming that all host stars have equal probability to host a planet with the measured mass ratio, implies a host star mass of M{sub h}=0.37{sub −0.17}{sup +0.30} M{sub ⊙} and a companion of mass M{sub P}=4.6{sub −2.2}{sup +3.7}M{sub J}, at a projected separation of r{sub ⊥}=1.70{sub −0.30}{sup +0.29} AU. The implied distance to the planetary system is D {sub L} = 6.8 ± 1.1 kpc. A planetary system with the properties preferred by the Bayesian analysis may be a challenge to the core accretion model of planet formation, as the core accretion model predicts that massive planets are far more likely to form around more massive host stars. This core accretion model prediction is not consistent with our Bayesian prior of an equal probability of host stars of all masses to host a planet with the measured mass ratio. Thus, if the core accretion model prediction is right, we should expect that follow-up high angular resolution observations will detect a host star with a mass in the upper part of the range allowed by the Bayesian analysis. That is, the host would probably be a K or G dwarf.

79 ASTRONOMY AND ASTROPHYSICS↗

BANYAN. II. Very low mass and substellar candidate members to nearby, young kinematic groups with previously known signs of youth

We present Bayesian Analysis for Nearby Young AssociatioNs II (BANYAN II), a modified Bayesian analysis for assessing the membership of later-than-M5 objects to any of several Nearby Young Associations (NYAs). In addition to using kinematic information (from sky position and proper motion), this analysis exploits 2MASS-WISE color-magnitude diagrams in which old and young objects follow distinct sequences. As an improvement over our earlier work, the spatial and kinematic distributions for each association are now modeled as ellipsoids whose axes need not be aligned with the Galactic coordinate axes, and we use prior probabilities matching the expected populations of the NYAs considered versus field stars. We present an extensive contamination analysis to characterize the performance of our new method. We find that Bayesian probabilities are generally representative of contamination rates, except when a parallax measurement is considered. In this case contamination rates become significantly smaller and hence Bayesian probabilities for NYA memberships are pessimistic. We apply this new algorithm to a sample of 158 objects from the literature that are either known to display spectroscopic signs of youth or have unusually red near-infrared colors for their spectral type. Based on our analysis, we identify 25 objects as new highly probable candidates to NYAs, including a new M7.5 bona fide member to Tucana-Horologium, making it the latest-type member. In addition, we reveal that a known L2γ dwarf is co-moving with a bright M5 dwarf, and we show for the first time that two of the currently known ultra red L dwarfs are strong candidates to the AB Doradus moving group. Several objects identified here as highly probable members to NYAs could be free-floating planetary-mass objects if their membership is confirmed.

79 ASTRONOMY AND ASTROPHYSICS↗

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Bayesian inference analysis of jet quenching using inclusive jet and hadron suppression measurements

The JETSCAPE Collaboration reports a new determination of the jet transport parameter $\hat{q}$ in the quark-gluon plasma (QGP) using Bayesian inference, incorporating all available inclusive hadron and jet yield suppression data measured in heavy-ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC). This multi-observable analysis extends the previously published JETSCAPE Bayesian inference determination of $\hat{q}$, which was based solely on a selection of inclusive hadron suppression data. jetscape is a modular framework incorporating detailed dynamical models of QGP formation and evolution, and jet propagation and interaction in the QGP. Virtuality-dependent partonic energy loss in the QGP is modeled as a thermalized weakly coupled plasma, with parameters determined from Bayesian calibration using soft-sector observables. This Bayesian calibration of $\hat{q}$ utilizes active learning, a machine-learning approach, for efficient exploitation of computing resources. The experimental data included in this analysis span a broad range in collision energy and centrality, and in transverse momentum. In order to explore the systematic dependence of the extracted parameter posterior distributions, several different calibrations are reported, based on combined jet and hadron data; on jet or hadron data separately; and on restricted kinematic or centrality ranges of the jet and hadron data. Tension is observed in comparison of these variations, providing new insights into the physics of jet transport in the QGP and its theoretical formulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Uncertainty Quantification of Hypothesis Testing for the Integrated Knowledge Engine

The Integrated Knowledge Engine (IKE) is a tool of Bayesian analysis, based on Bayesian Belief Networks or Bayesian networks for short. A Bayesian network is a graphical model (directed acyclic graph) that allows representing the probabilistic structure of many variables assuming a localized type of dependency called the Markov property. The Markov property in this instance makes any node or random variable to be independent of any non-descendant node given information about its parent. A direct consequence of this property is that it is relatively easy to incorporate new evidence and derive the appropriate consequences, which in general is not an easy or feasible task. Typically we use Bayesian networks as predictive models for a small subset of the variables, either the leave nodes or the root nodes. In IKE, since most applications deal with diagnostics, we are interested in predicting the likelihood of the root nodes given new observations on any of the children nodes. The root nodes represent the various possible outcomes of the analysis, and an important problem is to determine when we have gathered enough evidence to lean toward one of these particular outcomes. This document presents criteria to decide when the evidence gathered is sufficient to draw a particular conclusion or decide in favor of a particular outcome by quantifying the uncertainty in the conclusions that are drawn from the data. The material in this document is organized as follows: Section 2 presents briefly a forensics Bayesian network, and we explore evaluating the information provided by new evidence by looking first at the posterior distribution of the nodes of interest, and then at the corresponding posterior odds ratios. Section 3 presents a third alternative: Bayes Factors. In section 4 we finalize by showing the relation between the posterior odds ratios and Bayes factors and showing examples these cases, and in section 5 we conclude by providing clear guidelines of how to use these for the type of Bayesian networks used in IKE.

97 MATHEMATICS AND COMPUTING↗

Analyzing rotational bands in odd-mass nuclei using effective field theory and Bayesian methods

We recently developed an Effective Field Theory (EFT) for rotational bands in odd-mass nuclei. Here we use EFT expressions to perform a Bayesian analysis of data on the rotational energy levels of 99 Tc, 155,157 Gd, 159 Dy, 167,169 Er, 167,169 Tm, 183 W, 235 U and 239 Pu. The error model in our Bayesian analysis includes both experimental and EFT truncation uncertainties. It also accounts for the fact that low-energy constants (LECs) at even and odd orders are expected to have different sizes. We use Markov Chain Monte Carlo (MCMC) sampling to explore the joint posterior of the EFT and error-model parameters and show both the LECs and the breakdown scale can be reliably determined. We extract the LECs up to fourth order in the EFT and find that, provided we correctly account for EFT truncation errors in our likelihood, results for lower-order LECs are stable as we go to higher orders. LEC results are also stable with respect to the addition of higher-energy data. We extract the expansion parameter for all the nuclei listed above and find a clear correlation between the extracted and the expected value of the inverse breakdown scale, W, based on the single-particle and vibrational energy scales. However, the W that actually determines the convergence of the EFT expansion is markedly smaller than would be naively expected based on those scales.

EFT↗

Evaluation of errors in prior mean and variance in the estimation of integrated circuit failure rates using Bayesian methods

The critical point of any Bayesian analysis concerns the choice and quantification of the prior information. The effects of prior data on a Bayesian analysis are studied. Comparisons of the maximum likelihood estimator, the Bayesian estimator, and the known failure rate are presented. The results of the many simulated trails are then analyzed to show the region of criticality for prior information being supplied to the Bayesian estimator. In particular, effects of prior mean and variance are determined as a function of the amount of test data available.

Fletcher, B. C.↗