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Results for “Bayesian information criterion”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Bayesian analysis of CCDM models

Creation of Cold Dark Matter (CCDM), in the context of Einstein Field Equations, produces a negative pressure term which can be used to explain the accelerated expansion of the Universe. In this work we tested six different spatially flat models for matter creation using statistical criteria, in light of SNe Ia data: Akaike Information Criterion (AIC), Bayesian Information Criterion (BIC) and Bayesian Evidence (BE). These criteria allow to compare models considering goodness of fit and number of free parameters, penalizing excess of complexity. We find that JO model is slightly favoured over LJO/ΛCDM model, however, neither of these, nor Γ = 3α H {sub 0} model can be discarded from the current analysis. Three other scenarios are discarded either because poor fitting or because of the excess of free parameters. A method of increasing Bayesian evidence through reparameterization in order to reducing parameter degeneracy is also developed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Viscous flow properties and hydrodynamic diameter of phenothiazine-based redox-active molecules in different supporting salt environments

We report viscous flow properties of a redox-active organic molecule, N-(2-(2-methoxyethoxy)ethyl)phenothiazine (MEEPT), a candidate for non-aqueous redox flow batteries, and two of its radical cation salts. A microfluidic viscometer enabled the use of small sample volumes in determining viscosity as a function of shear rate and concentration in the non-aqueous solvent, acetonitrile, both with and without supporting salts. All solutions tested show Newtonian behavior over shear rates of up to 30 000 s−1, which was rationalized by scaling arguments for the diffusion-based relaxation time of a single MEEPT molecule without aggregation. Neat MEEPT is flowable but with a large viscosity (412 mPa⋅s at room temperature), which is ∼1000 times larger than that of acetonitrile. MEEPT solutions in acetonitrile have low viscosities; at concentrations up to 0.5 M, the viscosity increases by less than a factor of two. From concentration-dependent viscosity measurements, molecular information was inferred from intrinsic viscosity (hydrodynamic diameter) and the Huggins coefficient (interactions). Model fit credibility was assessed using the Bayesian Information Criterion. It is found that the MEEPT and its charged cations are “flowable” and do not flocculate at concentrations up to 0.5 M. MEEPT has a hydrodynamic diameter of around 8.5 Å, which is almost insensitive to supporting salt and state of charge. This size is comparable to molecular dimensions of single molecules obtained from optimized structures using density functional theory calculations. The results suggest that MEEPT is a promising candidate for redox flow batteries in terms of its viscous flow properties.

Wang, Yilin (ORCID:0000000316102995)↗
DOE OSTI2016

Gaussian processes with built-in dimensionality reduction: Applications to high-dimensional uncertainty propagation

Uncertainty quantification (UQ) tasks, such as model calibration, uncertainty propagation, and optimization under uncertainty, typically require several thousand evaluations of the underlying computer codes. To cope with the cost of simulations, one replaces the real response surface with a cheap surrogate based, e.g., on polynomial chaos expansions, neural networks, support vector machines, or Gaussian processes (GP). However, the number of simulations required to learn a generic multivariate response grows exponentially as the input dimension increases. This curse of dimensionality can only be addressed, if the response exhibits some special structure that can be discovered and exploited. A wide range of physical responses exhibit a special structure known as an active subspace (AS). An AS is a linear manifold of the stochastic space characterized by maximal response variation. The idea is that one should first identify this low dimensional manifold, project the high-dimensional input onto it, and then link the projection to the output. If the dimensionality of the AS is low enough, then learning the link function is a much easier problem than the original problem of learning a high-dimensional function. The classic approach to discovering the AS requires gradient information, a fact that severely limits its applicability. Furthermore, and partly because of its reliance to gradients, it is not able to handle noisy observations. The latter is an essential trait if one wants to be able to propagate uncertainty through stochastic simulators, e.g., through molecular dynamics codes. In this work, we develop a probabilistic version of AS which is gradient-free and robust to observational noise. Our approach relies on a novel Gaussian process regression with built-in dimensionality reduction. In particular, the AS is represented as an orthogonal projection matrix that serves as yet another covariance function hyper-parameter to be estimated from the data. To train the model, we design a two-step maximum likelihood optimization procedure that ensures the orthogonality of the projection matrix by exploiting recent results on the Stiefel manifold, i.e., the manifold of matrices with orthogonal columns. The additional benefit of our probabilistic formulation, is that it allows us to select the dimensionality of the AS via the Bayesian information criterion. We validate our approach by showing that it can discover the right AS in synthetic examples without gradient information using both noiseless and noisy observations. We demonstrate that our method is able to discover the same AS as the classical approach in a challenging one-hundred-dimensional problem involving an elliptic stochastic partial differential equation with random conductivity. Finally, we use our approach to study the effect of geometric and material uncertainties in the propagation of solitary waves in a one dimensional granular system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Towards the minimal spectrum of excited baryons

In the light baryon sector the resonances can be broad and overlapping and are in most cases not directly visible in the cross section data. Automatized model selection techniques that introduce penalties for choosing particular resonance sets can be used to determine the minimally needed set of resonances to describe the data. Several possible penalization schemes for the occurrence of resonances are compared. As an application we perform a blindfold identification of hyperon resonances in the $\bar{K}$ N → K $\Xi$ reaction based on the Least Absolute Shrinkage and Selection Operator (LASSO) in combination with the Bayesian Information Criterion (BIC). Here, we find ten resonances - out of the 21 above-threshold hyperon resonances with spin J ≤ 7/2 listed by the Particle Data Group. In traditional analyses, it is practically impossible to test the relevance of all resonances and their combinations that may potentially contribute to the reaction. By contrast, the present method proves capable of determining the relevant resonances among a relatively large pool of candidates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

A Copula-Based Conditional Probabilistic Forecast Model for Wind Power Ramps

Efficient management of wind ramping characteristics can significantly reduce wind integration costs for balancing authorities. By considering the stochastic dependence of wind power ramp (WPR) features, this paper develops a conditional probabilistic wind power ramp forecast (cp-WPRF) model based on Copula theory. The WPRs dataset is constructed by extracting ramps from a large dataset of historical wind power. Each WPR feature (e.g., rate, magnitude, duration, and start-time) is separately forecasted by considering the coupling effects among different ramp features. To accurately model the marginal distributions with a copula, a Gaussian mixture model (GMM) is adopted to characterize the WPR uncertainty and features. The Canonical Maximum Likelihood (CML) method is used to estimate parameters of the multivariable copula. The optimal copula model is chosen based on the Bayesian information criterion (BIC) from each copula family. Finally, the best conditions based cp-WPRF model is determined by predictive interval (PI) based evaluation metrics. Numerical simulations on publicly available wind power data show that the developed copula-based cp-WPRF model can predict WPRs with a high level of reliability and sharpness.

17 WIND ENERGY↗
DOE OSTI2025

The decay of HIV under anti-retroviral therapy is biphasic even in humanized mice with just T cells

HIV-1 plasma viral load decays in a biphasic manner during antiretroviral therapy (ART). It was hypothesized that this is due to infection of different cell types, namely CD4+ T cells and macrophages. We studied this possibility directly by modeling the decay of HIV-1 in humanized mice. We utilized previously published data from humanized T-cell only mice (TOM) and myeloid-only mice (MOM) infected with HIV-1 and treated with a potent ART regimen. Viral load decay dynamics were modeled using either a single or a biexponential decay fitted using nonlinear mixed effects techniques. Fits were compared using the corrected Bayesian information criterion (BICc). In TOM, the biphasic model was significantly better than a single-phase decay model (ΔBICc ≈ 16) despite additional parameters. In MOM, the biphasic decay was statistically better, but there was substantial uncertainty because the virus goes below detection very fast. The first-phase half-life was consistent between groups (1.2 days in MOM and 1.3 days in TOM) and similar to the half-life estimated in human infection. The second-phase decay in these mice was minimal likely due to low initial viral loads. Additional analyses with mice containing both CD4+ T cells and macrophages or X4-tropic virus-infected MOM mice confirmed the biphasic pattern, demonstrating the robustness of this result. The biphasic decline in HIV-1 occurs, even with only CD4+ T cells, refuting the hypothesis that distinct cell populations (CD4+ T cells and macrophages) drive each decay phase. These findings support an alternative model in which the observed dynamics arise from intrinsic properties of the viral infection lifecycle rather than from cellular compartmentalization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Robust Statistical Approach for Determination of Graphite Nitridation Using Bayesian Model Comparison

A better estimation of surface reaction efficiency of semiconductor-grade graphite with atomic nitrogen, as well as the calibration error are calculated using Bayesian updating based on experimental data. Compared with a conventional deterministic model, the stochastic model approach is a powerful tool in the sense that the model is capable of taking into account underlying error correlations among the data quantities. In this paper, we investigate four different stochastic models (called “stochastic system model classes” herein) corresponding to different descriptions of modeling and measurement error structures, given one deterministic physical model. These stochastic system model classes differ in the covariance matrix structure that is used in the uncertainty model to represent uncertainties associated with the physical model and experimental measurements. For each model class, Bayesian inference is used to estimate the posterior probabilities of the physical model parameters as well as of the stochastic model parameters. Model comparison and selection are then applied based on two measures including Bayesian evidence and Bayesian information criterion, as well as the deviance information criterion. Both measures suggest the stochastic model class, which considers that a correlation between errors in two data quantities among different data points is the most plausible. With the stochastic model class, the range of uncertainty in surface reaction efficiency is estimated to be about two orders of magnitude at [Formula: see text].

Engineering↗
DOE OSTI2019

Atmospheric Dynamics and the Variable Transit of KELT-9 b

We present a spectrally and temporally resolved detection of the optical Mg i triplet at 7.8σ in the extended atmosphere of the ultra-hot Jupiter KELT-9 b, adding to the list of detected metal species in the hottest gas giant currently known. Constraints are placed on the density and radial extent of the excited hydrogen envelope using simultaneous observations of Hα and Hβ under the assumption of a spherically symmetric atmosphere. We find that planetary rotational broadening of v{sub rot}=8.2{sub −0.7}{sup +0.6} km s{sup −1} is necessary to reproduce the Balmer line transmission profile shapes, where the model including rotation is strongly preferred over the non-rotating model using a Bayesian information criterion comparison. The time series of both metal line and hydrogen absorption show remarkable structure, suggesting that the atmosphere observed during this transit is dynamic rather than static. We detect a relative emission feature near the end of the transit which exhibits a P-Cygni-like shape, evidence of material moving at ≈50–100 km s{sup −1} away from the planet. We hypothesize that the in-transit variability and subsequent P-Cygni-like profiles are due to a flaring event that caused the atmosphere to expand, resulting in unbound material being accelerated to high speeds by stellar radiation pressure. Further spectroscopic transit observations will help establish the frequency of such events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

MC 2 : A Deeper Look at ZwCl 2341.1+0000 with Bayesian Galaxy Clustering and Weak Lensing Analyses

ZwCl 2341.1+0000, a merging galaxy cluster with disturbed X-ray morphology and widely separated (~3 Mpc) double radio relics, was thought to be an extremely massive (10 - 30 X 10 14 M⊙) and complex system with little known about its merger history. We present JVLA 2-4 GHz observations of the cluster, along with new spectroscopy from our Keck/DEIMOS survey, and apply Gaussian Mixture Modeling to the three-dimensional distribution of 227 con rmed cluster galaxies. After adopting the Bayesian Information Criterion to avoid over tting, which we discover can bias total dynamical mass estimates high, we nd that a three-substructure model with a total dynamical mass estimate of 9:39 ± 0:81 X 10 14 M⊙ is favored. We also present deep Subaru imaging and perform the rst weak lensing analysis on this system, obtaining a weak lensing mass estimate of 5:57±2:47X10 14 M⊙. This is a more robust estimate because it does not depend on the dynamical state of the system, which is disturbed due to the merger. Our results indicate that ZwCl 2341.1+0000 is a multiple merger system comprised of at least three substructures, with the main merger that produced the radio relics occurring near to the plane of the sky, and a younger merger in the North occurring closer to the line of sight. Dynamical modeling of the main merger reproduces observed quantities (relic positions and polarizations, subcluster separation and radial velocity difference), if the merger axis angle of ~10 +34 -6 degrees and the collision speed at pericenter is ~1900 +300 -200 km/s.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

NO TIMING VARIATIONS OBSERVED IN THIRD TRANSIT OF SNOW-LINE EXOPLANET KEPLER-421b

We observed Kepler-421 during the anticipated third transit of the snow-line exoplanet Kepler-421b in order to constrain the existence and extent of transit timing variations (TTVs). Previously, the Kepler spacecraft only observed two transits of Kepler-421b, leaving the planet’s transit ephemeris unconstrained. Our visible light, time-series observations from the 4.3 m Discovery Channel Telescope were designed to capture pre-transit baseline and the partial transit of Kepler-421b, barring significant TTVs. We use the light curves to assess the probabilities of various transit models using both the posterior odds ratio and the Bayesian Information Criterion, and find that a transit model with no TTVs is favored to 3.6 σ confidence. These observations suggest that Kepler-421b is either alone in its system or is only experiencing minor dynamic interactions with an unseen companion. With the Kepler-421b ephemeris constrained, we calculate future transit times and discuss the opportunity to characterize the atmosphere of this cold, long-period exoplanet via transmission spectroscopy. Our investigation emphasizes the difficulties associated with observing long-period exoplanet transits and the consequences that arise from failing to refine transit ephemerides.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Recent Progress on the Stochastic Objective Decision Aide (SODA) Application

Idaho State University, in collaboration with Idaho National Laboratory, is engaged in development of a simple to use software application that utilizes stochastic techniques for the calculation of radiation doses associated with hypothetical radioactive material releases. This work is being performed through a grant from the U.S. Department of Energy (DOE) Nuclear Safety Research and Development (NSR and D) Program. Initial progress on the application was reported previously. Recent additions to the application are reported here. The Stochastic Objective Decision Aide (SODA) provides an easy to use software application to help decision makers support their judgment about the need or lack of need for safety structures, systems, and components. SODA is not intended to replace traditional design basis accident dose calculation methodology, nor is it intended to replace existing software used to perform formal dose consequence calculations. Rather, SODA is intended to supplement information obtained from existing codes to give a decision maker more information about an accident scenario. SODA also provides a simple method to perform parametric or sensitivity studies on individual input parameters. Non-reactor nuclear facilities operated under the approval authority of the US DOE use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge dose evaluation guidelines. Unmitigated events that sufficiently challenge dose evaluation guidelines merit the selection of safety structures, systems, or components (SSCs) to prevent or mitigate the hazard. Dose consequence calculations traditionally involve use of the 'five-factor' formula: ST = MAR.DR.ARF.RF.LPF where ST is the source term (Bq), MAR is the total available material-at-risk (Bq), DR is the damage ratio (no units), ARF is the airborne release fraction (no units), RF is the respirable fraction (no units), and LPF is the leak path factor (no units). Potential radiation doses are then calculated using: CED = χ/Q.BR.ST.DCF (2) where CED is the committed effective dose (Sv), χ/Q is the plume dispersion (s/m{sup 3}), BR is the breathing rate (m{sup 3}/s), ST is the source term (Bq), and DCF is the dose conversion factor (Sv/Bq). Conservative single value input parameters are typically used to represent ARF, RF, LPF and BR. The traditional methodology, while conservative, can lead to skewed conclusions in the balance between cost and risk reduction resulting in over engineered systems with greater design, construction and operating costs. Rather than using a bounding single point value for each parameter in the dose consequence calculation, SODA uses distributions for some or all of the parameters. Each input parameter distribution is stochastically sampled and the resulting dose consequence calculation is repeated many times to develop a dose consequence distribution. The resulting distribution provides more information for the decision maker to rely upon when determining the need for safety SSCs. The SODA application was developed using MATLAB and it incorporates the use of Monte Carlo techniques as well as a graphical user interface (GUI). The application includes user selection of the governing distribution for parameters such as the MAR, DR, ARF, RF, LPF,χ/Q, BR, and DCF. While MATLAB was used for the development work, the application is distributed as a self-contained executable program. Features of the application include pull down menus with available distributions for the various parameters. The user has the option to plot the input parameter distribution that results from the random sampling process. The resulting dose consequence distribution is automatically analyzed to determine its similarity to well know distributions. This was done using the Bayesian Information Criterion method. If the resulting distribution is sufficiently similar to a well-known distribution, the application provides information about the distributions such as the mean value and other parameters. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Improved information criteria for Bayesian model averaging in lattice field theory

Bayesian model averaging is a practical method for dealing with uncertainty due to model specification. Use of this technique requires the estimation of model probability weights. Here, we revisit the derivation of estimators for these model weights. Use of the Kullback-Leibler divergence as a starting point leads naturally to a number of alternative information criteria suitable for Bayesian model weight estimation. We explore three such criteria, known to the statistics literature before, in detail: a Bayesian analog of the Akaike information criterion which we call the BAIC, the Bayesian predictive information criterion, and the posterior predictive information criterion (PPIC). We compare the use of these information criteria in numerical analysis problems common in lattice field theory calculations. We find that the PPIC has the most appealing theoretical properties and can give the best performance in terms of model-averaging uncertainty, particularly in the presence of noisy data, while the BAIC is a simple and reliable alternative.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Probabilistic Context Neighborhood model for lattices

Here we present the Probabilistic Context Neighborhood model designed for two-dimensional lattices as a variation of a Markov random field assuming discrete values. In this model, the neighborhood structure has a fixed geometry but a variable order, depending on the neighbors’ values. Our model extends the Probabilistic Context Tree model, originally applicable to one-dimensional space. It retains advantageous properties, such as representing the dependence neighborhood structure as a graph in a tree format, facilitating an understanding of model complexity. Furthermore, we adapt the algorithm used to estimate the Probabilistic Context Tree to estimate the parameters of the proposed model. We illustrate the accuracy of our estimation methodology through simulation studies. Additionally, we apply the Probabilistic Context Neighborhood model to spatial real-world data, showcasing its practical utility.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Adaptive selection and validation of models of complex systems in the presence of uncertainty

This study describes versions of OPAL, the Occam-Plausibility Algorithm in which the use of Bayesian model plausibilities is replaced with information theoretic methods, such as the Akaike Information Criterion and the Bayes Information Criterion. Applications to complex systems of coarse-grained molecular models approximating atomistic models of polyethylene materials are described. All of these model selection methods take into account uncertainties in the model, the observational data, the model parameters, and the predicted quantities of interest. A comparison of the models chosen by Bayesian model selection criteria and those chosen by the information-theoretic criteria is given.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Modelling individual variability in growth of bull trout in the Walla Walla River Basin using a hierarchical von Bertalanffy growth model

Abstract We examined growth in length of fluvial bull trout ( Salvelinus confluentus ) in the Walla Walla River Basin, Washington and Oregon. Our objectives were to quantify individual variability in growth; examine growth within and among years, life history forms, life stages and sexes; and estimate von Bertalanffy growth parameters. Individual variability was evaluated by modelling asymptotic length ( L ∞ ) and the growth coefficient ( k ) as random variables. All models were fit with Bayesian methods and were evaluated for fit by the deviance information criterion. By incorporating individual variability, population‐level estimates of L ∞ and k appeared appropriate and estimated growth trajectories for specific bull trout fit individual observed patterns in growth. Growth trajectories and positive correlation between individual estimates of L ∞ and k suggest that some individuals grow at a faster rate and reach a larger maximum size than other individuals and those differences are maintained throughout life. Selected models suggest that fluvial migrants have higher estimates of L ∞ and k than residents, but there were only slight differences in parameter estimates among migrants from two adjacent spawning populations in the Walla Walla River Basin, as well as between males and females. Growth rates increased for fluvial migrants after subadult emigration. Individual variability in growth is consistent with the life history diversity assumed essential for bull trout population persistence. Quantifying this variability is important for modelling population dynamics and viability to conserve this threatened species.

Harris, Julianne E.↗
DOE OSTI2020

A Bayesian approach to evaluation of soil biogeochemical models

Abstract. To make predictions about the carbon cycling consequences of rising global surface temperatures, Earth system scientists rely on mathematical soil biogeochemical models (SBMs). However, it is not clear which models have better predictive accuracy, and a rigorous quantitative approach for comparing and validating the predictions has yet to be established. In this study, we present a Bayesian approach to SBM comparison that can be incorporated into a statistical model selection framework. We compared the fits of linear and nonlinear SBMs to soil respiration data compiled in a recent meta-analysis of soil warming field experiments. Fit quality was quantified using Bayesian goodness-of-fit metrics, including the widely applicable information criterion (WAIC) and leave-one-out cross validation (LOO). We found that the linear model generally outperformed the nonlinear model at fitting the meta-analysis data set. Both WAIC and LOO computed higher overfitting risk and effective numbers of parameters for the nonlinear model compared to the linear model, conditional on the data set. Goodness of fit for both models generally improved when they were initialized with lower and more realistic steady-state soil organic carbon densities. Still, testing whether linear models offer definitively superior predictive performance over nonlinear models on a global scale will require comparisons with additional site-specific data sets of suitable size and dimensionality. Such comparisons can build upon the approach defined in this study to make more rigorous statistical determinations about model accuracy while leveraging emerging data sets, such as those from long-term ecological research experiments.

54 ENVIRONMENTAL SCIENCES↗