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DOE OSTI2026

New approaches to Bayesian uncertainty quantification for Nuclear Science (Final Technical Report)

Inverse problems play a central role in experimentation and theory/data comparisons for many areas of modern Nuclear Physics (NP) and High-Energy Physics (HEP). Bayes’s Theorem is a powerful tool for solving Inverse Problems, providing conceptually transparent and unbiased constraints on theoretical parameters and their uncertainties (“Bayesian Inference”) and enabling the quantification of agreement or tension between models and data. However, analyses based on Bayesian Inference are often challenging for NP and HEP applications, either because of the large number of parameters in the problem, the high computational cost, or both. We propose a multi-institutional collaboration to develop and deploy novel Bayesian analysis tools that advance the scientific scope of a broad range of current and future NP experiments. This project brings together NP domain scientists working on several high-profile NP projects for which new, high-performance Bayesian Uncertainty Quantification (“Bayesian UQ”) methods are essential to carry out the science, and data scientists who are developing state-of-the-art methods applicable to these problems. The NP projects in this proposal comprise measurements of the mass and fundamental nature of the neutrino; study of the Quark-Gluon Plasma that filled the early universe; and mapping of natural and anthropogenic radiation environments. While these NP projects have very different scientific goals, with datasets and analysis approaches that differ significantly, they share common requirements for improving computationally intensive Bayesian analyses using advanced Machine Learning algorithms and will benefit strongly from a coherent effort to develop general solutions. This proposal brings together these projects and forefront ML-based data science algorithms to develop such general solutions. The methods developed in this project will also be more widely applicable, thereby advancing science in the larger Nuclear Physics portfolio.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2021

Cutting out the Middleman: Calibrating and Validating a Dynamic Vegetation Model (ED2-PROSPECT5) Using Remotely Sensed Surface Reflectance

Canopy radiative transfer is the primary mechanism by which models relate vegetation composition and state to the surface energy balance, which is important to light- and temperature-sensitive plant processes as well as understanding land–atmosphere feedbacks. In addition, certain parameters (e.g., specific leaf area, SLA) that have an outsized influence on vegetation model behavior can be constrained by observations of shortwave reflectance, thus reducing model predictive uncertainty. Importantly, calibrating against radiative transfer outputs allows models to directly use remote sensing reflectance products without relying on highly derived products (such as MODIS leaf area index) whose assumptions may be incompatible with the target vegetation model and whose uncertainties are usually not well quantified. Here, we created the EDR model by coupling the two-stream representation of canopy radiative transfer in the Ecosystem Demography model version 2 (ED2) with a leaf radiative transfer model (PROSPECT-5) and a simple soil reflectance model to predict full-range, high-spectral-resolution surface reflectance that is dependent on the underlying ED2 model state. We then calibrated this model against estimates of hemispherical reflectance (corrected for directional effects) from the NASA Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and survey data from 54 temperate forest plots in the northeastern United States. The calibration significantly reduced uncertainty in model parameters related to leaf biochemistry and morphology and canopy structure for five plant functional types. Using a single common set of parameters across all sites, the calibrated model was able to accurately reproduce surface reflectance for sites with highly varied forest composition and structure. However, the calibrated model's predictions of leaf area index (LAI) were less robust, capturing only 46 % of the variability in the observations. Comparing the ED2 radiative transfer model with another two-stream soil–leaf–canopy radiative transfer model commonly used in remote sensing studies (PRO4SAIL) illustrated structural errors in the ED2 representation of direct radiation backscatter that resulted in systematic underestimation of reflectance. In addition, we also highlight that, to directly compare with a two-stream radiative transfer model like EDR, we had to perform an additional processing step to convert the directional reflectance estimates of AVIRIS to hemispherical reflectance (also known as “albedo”). In future work, we recommend that vegetation models add the capability to predict directional reflectance, to allow them to more directly assimilate a wide range of airborne and satellite reflectance products. We ultimately conclude that despite these challenges, using dynamic vegetation models to predict surface reflectance is a promising avenue for model calibration and validation using remote sensing data.

Alexey N Shiklomanov↗

NASA NTRS1984

Tradeoff methods in multiobjective insensitive design of airplane control systems

The latest results of an ongoing study of computer-aided design of airplane control systems are given. Constrained minimization algorithms are used, with the design objectives in the constraint vector. The concept of Pareto optimiality is briefly reviewed. It is shown how an experienced designer can use it to find designs which are well-balanced in all objectives. Then the problem of finding designs which are insensitive to uncertainty in system parameters are discussed, introducing a probabilistic vector definition of sensitivity which is consistent with the deterministic Pareto optimal problem. Insensitivity is important in any practical design, but it is particularly important in the design of feedback control systems, since it is considered to be the most important distinctive property of feedback control. Methods of tradeoff between deterministic and stochastic-insensitive (SI) design are described, and tradeoff design results are presented for the example of the a Shuttle lateral stability augmentation system. This example is used because careful studies have been made of the uncertainty in Shuttle aerodynamics. Finally, since accurate statistics of uncertain parameters are usually not available, the effects of crude statistical models on SI designs are examined.

Schy, A. A.↗

NASA NTRS1996

Uncertainty Modeling for Structural Control Analysis and Synthesis

The development of an accurate model of uncertainties for the control of structures that undergo a change in operational environment, based solely on modeling and experimentation in the original environment is studied. The application used throughout this work is the development of an on-orbit uncertainty model based on ground modeling and experimentation. A ground based uncertainty model consisting of mean errors and bounds on critical structural parameters is developed. The uncertainty model is created using multiple data sets to observe all relevant uncertainties in the system. The Discrete Extended Kalman Filter is used as an identification/parameter estimation method for each data set, in addition to providing a covariance matrix which aids in the development of the uncertainty model. Once ground based modal uncertainties have been developed, they are localized to specific degrees of freedom in the form of mass and stiffness uncertainties. Two techniques are presented: a matrix method which develops the mass and stiffness uncertainties in a mathematical manner; and a sensitivity method which assumes a form for the mass and stiffness uncertainties in macroelements and scaling factors. This form allows the derivation of mass and stiffness uncertainties in a more physical manner. The mass and stiffness uncertainties of the ground based system are then mapped onto the on-orbit system, and projected to create an analogous on-orbit uncertainty model in the form of mean errors and bounds on critical parameters. The Middeck Active Control Experiment is introduced as experimental verification for the localization and projection methods developed. In addition, closed loop results from on-orbit operations of the experiment verify the use of the uncertainty model for control analysis and synthesis in space.

Campbell, Mark E.↗

NASA NTRS1990

Estimates of galactic cosmic ray shielding requirements during solar minimum

Estimates of radiation risk from galactic cosmic rays are presented for manned interplanetary missions. The calculations use the Naval Research Laboratory cosmic ray spectrum model as input into the Langley Research Center galactic cosmic ray transport code. This transport code, which transports both heavy ions and nucleons, can be used with any number of layers of target material, consisting of up to five different arbitrary constituents per layer. Calculated galactic cosmic ray fluxes, dose and dose equivalents behind various thicknesses of aluminum, water and liquid hydrogen shielding are presented for the solar minimum period. Estimates of risk to the skin and the blood-forming organs (BFO) are made using 0-cm and 5-cm depth dose/dose equivalent values, respectively, for water. These results indicate that at least 3.5 g/sq cm (3.5 cm) of water, or 6.5 g/sq cm (2.4 cm) of aluminum, or 1.0 g/sq cm (14 cm) of liquid hydrogen shielding is required to reduce the annual exposure below the currently recommended BFO limit of 0.5 Sv. Because of large uncertainties in fragmentation parameters and the input cosmic ray spectrum, these exposure estimates may be uncertain by as much as a factor of 2 or more. The effects of these potential exposure uncertainties or shield thickness requirements are analyzed.

Townsend, Lawrence W.↗

NASA NTRS2004

The Precision and Accuracy of AIRS Level 1B Radiances for Climate Studies

We investigate uncertainties in the Atmospheric Infrared Sounder (AIRS) radiances based on in-flight and preflight calibration algorithms and observations. The global coverage and spectra1 resolution ((lamda)/(Delta)(lamda) ~ 1200) of AIRS enable it to produce a data set that can be used as a climate data record over the lifetime of the instrument. Therefore, we examine the effects of the uncertainties in the calibration and the detector stability on future climate studies. The uncertainties of the parameters that go into the AIRS radiometric calibration are propagated to estimate the accuracy of the radiances and any climate data record created from AIRS measurements. The calculated radiance uncertainties are consistent with observations. Algorithm enhancements may be able to reduce the radiance uncertainties by as much as 7%. We find that the orbital variation of the gain contributes a brightness temperature bias of < 0.01 K.

climate↗

DOE OSTI2025

Catalytic resonance theory for parametric uncertainty of programmable catalysis

Microkinetic models are useful tools for screening catalytic materials; however, errors in their input parameters can lead to significant uncertainty in model predictions of catalyst performance. Here, in this work, we investigate the impact of linear scaling and Brønsted-Evans-Polanyi relation parametric uncertainty on microkinetic predictions of programmable-catalyst performance. Two case studies are considered: a generic A-to-B prototype reaction and the oxygen evolution reaction (OER). The results show that error-unaware models can accurately predict trends and, for the prototype reaction, values of optimal waveform parameters. The specific model parameters driving output uncertainty are identified via variance-based global sensitivity analysis. However, predictions of dynamic rate enhancement can decrease when uncertainty is propagated into the models. In both cases, we identify operating conditions where the programmable catalyst achieves a rate enhancement of at least one order of magnitude despite parametric uncertainty in the model, supporting programmable catalysis as a viable strategy for exceeding the Sabatier limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1997

Gaseous abundances and methane supersaturation in Titan's troposphere

Various properties of Titan's troposphere are inferred from an analysis of Voyager I infrared spectrometer (IRIS) data between 200 and 600/ cm. Two homogeneous spectral averages acquired at widely separated emission angles are chosen for the analysis. Both data sets are associated with northern low latitudes very close to that of the radio science ingress occultation point. Solutions require simultaneous nonlinear least-squares fits to the two IRIS data sets, coupled with iteration of the radio occultation refractivity data. Values and associated 1-sigma uncertainties of several parameters are inferred from our analysis. These include mole fractions for molecular hydrogen (approx. 0.0011), argon (small), and methane near the surface ( approx. 0.057). Solutions are also obtained for the hydrogen parafraction (close to equilibrium, with considerable uncertainty), air temperature near the surface ( approx. 93 K), surface surface temperature discontinuity (approx. 1 K), and maximum degree of methane supersaturation in the upper troposphere (approx. 1.5). Actual values for the above-mentioned parameters depend on the amount of ethane cloud near the tropopause. There is no evidence for methane clouds in the upper troposphere, nor is their presence compatible with large degrees of supersaturation. A wave number dependence for the stratospheric haze opacity is inferred similar to that found for a polymeric residue created in laboratory discharge experiments. This haze appears to be uniformly distributed with latitude between altitudes of 40 and 160 km, provided those nighttime data at southern high latitudes that are discounted.

Samuelson, Robert E.↗

NASA NTRS1977

An improved lunar moment of inertia determination - A proposed strategy

A strategy for determining an improved lunar moment of inertia is proposed. An improved uncertainty in the lunar inhomogeneity parameter could reduce the core density error from 4.20 gr/cu cm to 0.1 gm/cu cm for the case of a lunar density model having a 300 km core radius. The current error of 0.0025 for the lunar inhomogeneity parameter is mostly due to the uncertainties in the C20 and C22 gravity harmonics. An optimum reduction strategy for obtaining an order of magnitude improvement in the gravity estimates is based on covariance analyses of Doppler data. The long-arc reduction method is shown to provide better results than the short-arc technique, and the use of an orbit with a 7000 km semimajor axis along with certain terms of up to degree and order eight is recommended.

Ananda, M. P.↗

NASA NTRSDate not supplied

Sensitivity of Simulated Radiative Emission from Nitrogen Flows to Chemical Parameters

Numerical models of hypersonic flows rely on chemistry data inferred from experiments and quantum calculations. Experiments from NASA's Electric Arc Shock Tube (EAST) measure the spectral emission of strong shocks in pure nitrogen flows. These spectral profiles are only approximately captured by numerical simulations. To address these discrepancies, one wishes to calibrate some of the chemical parameters to better match experiment. Because there are hundreds of parameters in the numerical model, a sensitivity analysis was carried out on the entire chemistry database to determine which parameters are most important to analyze in the future. In order to perform this work it was necessary to generate a consistent chemical database that interfaced with both the CFD and line-by-line radiation solver. Using Monte Carlo methods, the total Sobol index was calculated for important parameters. Twenty parameters were identified as important across the nitrogen system. However, it was noted that in some spectral regions, the parametric uncertainty was unable to bound EAST measurements. Further improvements could be made by increasing the parameter uncertainties or addressing other sources of modeling error.

Kaelan B Hansson↗

NASA NTRSDate not supplied

Sensitivity of Simulated Radiative Emission from Nitrogen Flows to Chemical Parameters

Kaelan Hansson↗

NASA NTRS1973

On the He-H2 thermal opacity in planetary atmospheres.

The pressure-induced absorption coefficient for He-H2 mixtures is poorly known for the range of physical conditions in the atmospheres of the major planets, largely because of the uncertainty in the overlap parameter of the induced dipole moment. We have reduced this uncertainty by examining the extent to which the published measurements and the existing theory specify this parameter. Furthermore, we show that this parameter should be quite accurately determined if laboratory measurements of this opacity are extended to frequencies below 300/cm.

Trafton, L.↗

NASA NTRS1992

An improved approach for flight readiness certification: Probabilistic models for flaw propagation and turbine blade failure. Volume 1: Methodology and applications

An improved methodology for quantitatively evaluating failure risk of spaceflight systems to assess flight readiness and identify risk control measures is presented. This methodology, called Probabilistic Failure Assessment (PFA), combines operating experience from tests and flights with analytical modeling of failure phenomena to estimate failure risk. The PFA methodology is of particular value when information on which to base an assessment of failure risk, including test experience and knowledge of parameters used in analytical modeling, is expensive or difficult to acquire. The PFA methodology is a prescribed statistical structure in which analytical models that characterize failure phenomena are used conjointly with uncertainties about analysis parameters and/or modeling accuracy to estimate failure probability distributions for specific failure modes. These distributions can then be modified, by means of statistical procedures of the PFA methodology, to reflect any test or flight experience. State-of-the-art analytical models currently employed for designs failure prediction, or performance analysis are used in this methodology. The rationale for the statistical approach taken in the PFA methodology is discussed, the PFA methodology is described, and examples of its application to structural failure modes are presented. The engineering models and computer software used in fatigue crack growth and fatigue crack initiation applications are thoroughly documented.

Moore, N. R.↗

NASA NTRS1992

An improved approach for flight readiness certification: Probabilistic models for flaw propagation and turbine blade failure. Volume 2: Software documentation

An improved methodology for quantitatively evaluating failure risk of spaceflights systems to assess flight readiness and identify risk control measures is presented. This methodology, called Probabilistic Failure Assessment (PFA), combines operating experience from tests and flights with analytical modeling of failure phenomena to estimate failure risk. The PFA methodology is of particular value when information on which to base an assessment of failure risk, including test experience and knowledge of parameters used in analytical modeling, is expensive or difficult to acquire. The PFA methodology is a prescribed statistical structure in which analytical models that characterize failure phenomena are used conjointly with uncertainties about analysis parameters and/or modeling accuracy to estimate failure probability distributions for specific failure modes. These distributions can then be modified, by means of statistical procedures of the PFA methodology, to reflect any test or flight experience. State-of-the-art analytical models currently employed for design, failure prediction, or performance analysis are used in this methodology. The rationale for the statistical approach taken in the PFA methodology is discussed, the PFA methodology is described, and examples of its application to structural failure modes are presented. The engineering models and computer software used in fatigue crack growth and fatigue crack initiation applications are thoroughly documented.

Moore, N. R.↗

DOE OSTI2025

Joint state-parameter estimation for the reduced fracture model via the united filter

Here, in this paper, we introduce an effective United Filter method for jointly estimating the solution state and physical parameters in flow and transport problems within fractured porous media. Fluid flow and transport in fractured porous media are critical in subsurface hydrology, geophysics, and reservoir geomechanics. Reduced fracture models, which represent fractures as lower-dimensional interfaces, enable efficient multi-scale simulations. However, reduced fracture models also face accuracy challenges due to modeling errors and uncertainties in physical parameters such as permeability and fracture geometry. To address these challenges, we propose a United Filter method, which integrates the Ensemble Score Filter (EnSF) for state estimation with the Direct Filter for parameter estimation. EnSF, based on a score-based diffusion model framework, produces ensemble representations of the state distribution without deep learning. Meanwhile, the Direct Filter, a recursive Bayesian inference method, estimates parameters directly from state observations. The United Filter combines these methods iteratively: EnSF estimates are used to refine parameter values, which are then fed back to improve state estimation. Numerical experiments demonstrate that the United Filter method surpasses the state-of-the-art Augmented Ensemble Kalman Filter, delivering more accurate state and parameter estimation for reduced fracture models. This framework also provides a robust and efficient solution for PDE-constrained inverse problems with uncertainties and sparse observations.

Bayesian inference↗

DOE OSTI2026

Gearbox bearing crack growth prognostics and uncertainty quantification with physics-informed machine learning

This paper introduces the extreme theory of functional connections (X-TFC), a physics-informed machine learning algorithm, and tailors it to estimate the remaining useful life (RUL) of wind turbine gearbox bearings experiencing fatigue crack growth. Unlike purely data-driven methods, X-TFC embeds a physics model, based on Head's theory in this work, into its training objective. The core of X-TFC is a random-projection single-layer neural network trained via an extreme learning machine, which requires only limited damage progression data and solves for output weights with a least-squares optimization algorithm. A composite loss function balances the network's fit to observed degradation data against the residuals of the governing crack growth differential equation, ensuring the learned damage trajectory remains physically plausible. When applied to a vibration-based health-index (HI) dataset measured during the growth of a crack on the inner ring of a high-speed bearing in a wind turbine gearbox (Bechhoefer and Dubé, 2020), X-TFC achieves near-zero prediction bias. Even when trained on only the first 10 %–20 % of the damage progression data, with sufficient physics weighting its predictions remain monotonic and smooth, delivering high prognosability and trendability. To quantify the epistemic uncertainty, we employ a Monte Carlo ensemble of independently initialized X-TFC models trained on noise-perturbed data, which yields confidence intervals around each RUL estimate and captures both model-parameter and epistemic uncertainty. In addition to a vibration-based HI, we demonstrate that the proposed framework can be directly applied to a supervisory control and data acquisition (SCADA) data-based HI (Eftekhari Milani et al., 2026) measured during similar wind turbine gearbox bearing crack faults, preserving its accuracy and interpretability. This extension shows the versatility of our approach, which is applicable to bearings of multiple gearbox manufacturers, models, and ratings using only SCADA data. By integrating domain knowledge with machine learning, X-TFC offers a rapid, reliable tool for crack prognostics. Its adaptability to other bearing failure modes, such as pitch bearing ring cracks, positions X-TFC as a powerful enabler of data-driven, physics-informed asset management in the wind energy sector and beyond.

17 WIND ENERGY↗

NASA NTRS2002

Problems in Assessment of the UV Penetration into Natural Waters from Space-based Measurements

Satellite instruments currently provide global maps of surface UV (ultraviolet) irradiance by combining backscattered radiance data with radiative transfer models. The models are often limited by uncertainties in physical input parameters of the atmosphere and surface. Global mapping of the underwater UV irradiance creates further challenges for the models. The uncertainties in physical input parameters become more serious because of the presence of absorbing and scattering quantities caused by biological processes within the oceans. In this paper we summarize the problems encountered in the assessment of the underwater UV irradiance from space-based measurements, and propose approaches to resolve the problems. We have developed a radiative transfer scheme for computation of the UV irradiance in the atmosphere-ocean system. The scheme makes use of input parameters derived from satellite instruments such as TOMS (Total Ozone Mapping Spectrometer) and SeaWiFS (Sea-viewing Wide Field-of-view Sensor). The major problem in assessment of the surface UV irradiance is to accurately quantify the effects of clouds. Unlike the standard TOMS UV algorithm, we use the cloud fraction products available from SeaWiFS and MODIS (Moderate Resolution Imaging Spectrometer) to calculate instantaneous surface flux at the ocean surface. Daily UV doses can be calculated by assuming a model of constant cloudiness throughout the day. Both SeaWiFS and MODIS provide some estimates of seawater optical properties in the visible. To calculate the underwater UV flux the seawater optical properties must be extrapolated down to shorter wavelengths. Currently, the problem of accurate extrapolation of visible data down to the UV spectral range is not solved completely, and there are few available measurements. The major difficulty is insufficient correlation between photosynthetic and photoprotective pigments of phytoplankton absorbing in the visible and UV respectively. We propose to empirically parameterize seawater absorption in the UV on a basis of available data sets of bio-optical measurements from a variety of ocean waters. Another problem is the lack of reliable data on pure seawater absorption in the UV. Laboratory measurements of the UV absorption of both pure water and pure seawater are required.

Vasilkov, Alexander P.↗

DOE OSTI2025

Probabilistic flux limiters

The stable numerical integration of shocks in compressible flow simulations relies on the reduction or elimination of Gibbs phenomena (unstable, spurious oscillations). A popular method to virtually eliminate Gibbs oscillations caused by numerical discretization in under-resolved simulations is to use a flux limiter. A wide range of flux limiters have been studied in the literature, with recent interest in their optimization via machine learning methods trained on high-resolution datasets. The common use of flux limiters in numerical codes as plug-and-play blackbox components makes them key targets for design improvement. Even for deterministic dynamical models, numerical uncertainty is introduced via coarse-graining required by insufficient computational power to solve all scales of motion. Conventional flux limiters are deterministic and lack the capacity to address uncertainties, both aleatoric (inherent randomness) and epistemic (modeling uncertainty due to limited knowledge), which arise in coarse-grained numerical simulations. Here, we introduce a conceptually distinct type of flux limiter that is designed to handle the effects of randomness in the model and uncertainty in model parameters. Unlike traditional single-function flux limiters, these new probabilistic flux limiters incorporate multiple flux limiting functions, each applied with a learned probability drawn from high-resolution data to mitigate the effects of uncertainty in numerical simulations. This approach departs from traditional single-function limiters by explicitly modeling and incorporating uncertainty into the shock capturing process. Using the example of Burgers' equation as a testbed, we show that a machine learned, probabilistic flux limiter may be used in a shock capturing code to more accurately capture shock profiles. In particular, we show that our probabilistic flux limiter outperforms standard limiters and can be successively improved upon (up to a point) by expanding the set of probabilistically chosen flux limiting functions.

97 MATHEMATICS AND COMPUTING↗