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NASA NTRS2019

PACE Technical Report Series, Volume 6: Data Product Requirements and Error Budgets Consensus Document

This chapter summarizes ocean color science data product requirements for the Plankton, Aerosol, Cloud,ocean Ecosystem (PACE) mission's Ocean Color Instrument (OCI) and observatory. NASA HQ delivered Level-1 science data product requirements to the PACE Project, which encompass data products to be produced and their associated uncertainties. These products and uncertainties ultimately determine the spectral nature of OCI and the performance requirements assigned to OCI and the observatory. This chapter ultimately serves to provide context for the remainder of this volume, which describes tools developed that allocate these uncertainties into their components, including allowable OCI systematic and random uncertainties, observatory geo location uncertainties, and geophysical model uncertainties.

Cetinic, Ivona↗
NASA NTRS2024

Spectral Correlation in MODIS Water-Leaving Reflectance Retrieval Uncertainty

Spectral remote sensing reflectance, Rrs(λ) (sr−1), is the fundamental quantity used to derive a host of bio-optical and biogeochemical properties of the water column from satellite ocean color measurements. Estimation of uncertainty in those derived geophysical products is therefore dependent on knowledge of the uncertainty in satellite-retrieved R rs . Furthermore, since the associated algorithms require R rs at multiple spectral bands, the spectral (i.e., band-to-band)error covariance in R rs is needed to accurately estimate the uncertainty in those derived properties. This study establishes a derivative-based approach for propagating instrument random noise, instrument systematic uncertainty, and forward model uncertainty into R rs as retrieved using NASA’s multiple-scattering epsilon (MSEPS) atmospheric correction algorithm, to generate pixel-level error covariance in R rs . The approach is applied to measurements from Moderate Resolution Imaging Spectroradiometer (MODIS) on the Aqua satellite and verified using Monte Carlo (MC) analysis. We also make use of this full spectral error covariance in R rs to calculate uncertainty in phytoplankton pigment chlorophyll-a concentration (chl a , mg/m 3 ) and diffuse attenuation coefficient of downwelling irradiance at 490 nm (K d (490), m -1 ). Accounting for the error covariance in R rs generally reduces the estimated relative uncertainty in chl a by ∼1-2% (absolute value) in waters with chl a < 0.25 mg/m 3 where the color index (CI) algorithm is used. The reduction is ∼5-10% in waters with chl a > 0.35 mg/m 3 where the blue-green ratio (OCX) algorithm is used. Such reduction can be higher than 30% in some regions. For K d (490), the reduction by error covariance is generally ∼2%, but can be higher than 20% in some regions. The error covariance in R rs is further verified through forward-calculating chl a from MODIS-retrieved and in situ R rs and comparing estimated uncertainty with observed differences. An 8-day global composite of propagated uncertainty shows that the goal of 35% uncertainty in chl a can be achieved over deep ocean waters (chl a ≤ 0.1 mg/m3). While the derivative-based approach generates reasonable error covariance in R rs some assumptions should be updated as our knowledge improves. These include the inter-band error correlation in top-of-atmosphere reflectance, and uncertainties in the calibration of MODIS 869 nm band, in ancillary data, and in the in situ data used for system vicarious calibration.

Ocean color↗
DOE OSTI2023

Constraining neutrino oscillation and interaction parameters with the NOvA Near Detector and Far Detector data using Markov Chain Monte Carlo

This thesis reports a constraint of the neutrino oscillation parameters $\Delta m^{2}_{32}$, $\sin^2 \theta_{23}$, and $\delta_{CP}$ using the NuMI Off-Axis $\nu$ Appearance (NOvA) experiment's Near Detector (ND) data and Far Detector (FD) fake data set simultaneously. This thesis also reports a constraint on NOvA's systematic uncertainty model solely with its Near Detector data. The Hamiltonian Monte Carlo algorithm is used to estimate Bayesian Credible Intervals for the oscillation and interaction parameters. The $1\sigma$ Credible Intervals for $\sin^2 \theta_{23}$ are $(0.44, 0.512)$ $\cup$ $(0.536, 0.56)$, for $\Delta m^{2}_{32}$ $(2.41 \times 10^{-3}$ eV$^2,\ 2.52 \times 10^{-3}$ eV$^2)$, and for $\delta_{CP}$ $(0.74\pi,\ 1.1\pi)$ $\cup$ $(1.38\pi,\ 1.58\pi)$. The statistical power of the ND data constrains NOvA's interaction parameters, while the FD fake data constrains the oscillation parameters. This is the first analysis within NOvA to constrain the ND and FD prediction sim ultaneously, and to investigate the neutrino interaction modeling in the context of constraining the oscillation parameters. To constrain the ND data requires a sophisticated understanding of the neutrino interaction modeling and its uncertainties. The interested reader is advised to focus on Chapters 4 and 6, which discuss the ND selection, uncertainties, and ND-only fits to data. The reader interested in oscillation parameter constraints will find this in Chapter 7.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2013

Lessons Learned from the AIRS Pre-Flight Radiometric Calibration

The Atmospheric Infrared Sounder (AIRS) instrument flies on the NASA Aqua satellite and measures the upwelling hyperspectral earth radiance in the spectral range of 3.7-15.4 micron with a nominal ground resolution at nadir of 13.5 km. The AIRS spectra are achieved using a temperature controlled grating spectrometer and HgCdTe infrared linear arrays providing 2378 channels with a nominal spectral resolution of approximately 1200. The AIRS pre-flight tests that impact the radiometric calibration include a full system radiometric response (linearity), polarization response, and response vs scan angle (RVS). We re-derive the AIRS instrument radiometric calibration coefficients from the pre-flight polarization measurements, the response vs scan (RVS) angle tests as well as the linearity tests, and a recent lunar roll test that allowed the AIRS to view the moon. The data and method for deriving the coefficients is discussed in detail and the resulting values compared amongst the different tests. Finally, we examine the residual errors in the reconstruction of the external calibrator blackbody radiances and the efficacy of a new radiometric uncertainty model. Results show the radiometric calibration of AIRS to be excellent and the radiometric uncertainty model does a reasonable job of characterizing the errors.

Sounder↗
NASA NTRS1993

Quantification of model error via an interval model with nonparametric error bound

The quantification of model uncertainty is becoming increasingly important as robust control is an important tool for control system design and analysis. This paper presents an algorithm that effectively characterizes the model uncertainty in terms of parametric and nonparametric uncertainties. The algorithm utilizes the frequency domain model error which is estimated from the spectra of output error and input data. The parametric uncertainty is represented as an interval transfer function while the nonparametric uncertainty is bounded by a designed error bound transfer function. Both discrete and continuous systems are discussed in this paper. The algorithm is applied to the Mini-Mast example, and the detail analysis is given.

Lew, Jiann-Shiun↗
DOE OSTI2023

DEEPEN 3D PFA Favorability Models and 2D Favorability Maps at Newberry Volcano

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. Part of the DEEPEN project involved developing and testing a methodology for a 3D play fairway analysis (PFA) for multiple play types (conventional hydrothermal, superhot EGS, and supercritical). This was tested using new and existing geoscientific exploration datasets at Newberry Volcano. This GDR submission includes images, data, and models related to the 3D favorability and uncertainty models and the 2D favorability and uncertainty maps. The DEEPEN PFA Methodology is based on the method proposed by Poux et al. (2020), which uses the Leapfrog Geothermal software with the Edge extension to conduct PFA in 3D. This method uses all available data to build a 3D geodata model which can be broken down into smaller blocks and analyzed with advanced geostatistical methods. Each data set is imported into a 3D model in Leapfrog and divided into smaller blocks. Conditional queries can then be used to assign each block an index value which conditionally ranks each block's favorability, from 0-5 with 5 being most favorable, for each model (e.g., lithologic, seismic, magnetic, structural). The values between 0-5 assigned to each block are referred to as index values. The final step of the process is to combine all the index models to create a favorability index. This involves multiplying each index model by a given weight and then summing the resulting values. The DEEPEN PFA Methodology follows this approach, but split up by the specific geologic components of each play type. These components are defined as follows for each magmatic play type: 1. Conventional hydrothermal plays in magmatic environments: Heat, fluid, and permeability 2. Superhot EGS plays: Heat, thermal insulation, and producibility (the ability to create and sustain fractures suitable for and EGS reservoir) 3. Supercritical plays: Heat, supercritical fluid, pressure seal, and producibility (the proper permeability and pressure conditions to allow production of supercritical fluid) More information on these components and their development can be found in Kolker et al., 2022. For the purposes of subsurface imaging, it is easier to detect a permeable fluid-filled reservoir than it is to detect separate fluid and permeability components. Therefore, in this analysis, we combine fluid and permeability for conventional hydrothermal plays, and supercritical fluid and producibility for supercritical plays. More information on this process is described in the following sections. We also project the 3D favorability volumes onto 2D surfaces for simplified joint interpretation, and we incorporate an uncertainty component. Uncertainty was modeled using the best approach for the dataset in question, for the datasets where we had enough information to do so. Identifying which subsurface parameters are the least resolved can help qualify current PFA results and focus future efforts in data collection. Where possible, the resulting uncertainty models/indices were weighted using the same weights applied to the respective datasets, and summed, following the PFA methodology above, but for uncertainty. There are two different versions of the Leapfrog model and associated favorability models: - v1.0: The first release in June 2023 - v2.1: The second release, with improvements made to the earthquake catalog (included additional identified events, removed duplicate events), to the temperature model (fixed a deep BHT), and to the index models (updated the seismicity-heat source index models for supercritical and EGS, and the resistivity-insulation index models for all three play types). Also uses the jet color map rather than the magma color map for improved interpretability. - v2.1.1: Updated to include v2.0 uncertainty results (see below for uncertainty model versions) There are two different versions of the associated uncertainty models: - v1.0: The first release in June 2023 - v2.0: The se...

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Gradient-informed Hamiltonian Monte Carlo for multicomponent CALPHAD model optimization and uncertainty quantification

CALPHAD model parameter optimization is inherently challenging due to non-smooth objective functions, high-dimensional parameter spaces, and the need for uncertainty quantification (UQ). Traditional weighted nonlinear least squares approaches are computationally efficient but local, whereas black-box global optimizers and ensemble Markov Chain Monte Carlo (MCMC) methods provide broader exploration at substantial computational cost. The objective of this work is to combine the global exploration capability of gradient-informed Hamiltonian Monte Carlo – specifically the No-U-Turn Sampler (NUTS) – with local deterministic refinement using BFGS to efficiently optimize multicomponent CALPHAD models with minimal manual intervention. Analytic gradients are computed via the Jansson derivative framework. The methodology is demonstrated on the Cr—Fe binary system and extended to the Cr—Fe—Ni ternary system with 32 degrees of freedom. For Cr—Fe, NUTS achieves comparable or superior optimality relative to ensemble MCMC while requiring over an order-of-magnitude fewer likelihood evaluations. Parameter uncertainties are quantified through NUTS sampling and propagated to thermodynamic observables using local expansion, demonstrating a novel modular approach that combines binary and ternary parameter subsets without requiring global relaxation. These results establish gradient-informed exploration as a scalable strategy for multicomponent CALPHAD optimization and provide a practical route towards efficient higher-order database development with quantified uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Modeling the Uncertainties of Solar System Ephemerides for Robust Gravitational-wave Searches with Pular-timing Arrays

The regularity of pulsar emissions becomes apparent once we reference the pulses’ times of arrivals to the inertial rest frame of the solar system. It follows that errors in the determination of Earthʼs position with respect to the solar system barycenter can appear as a time-correlated bias in pulsar-timing residual time series, affecting the searches for low-frequency gravitational waves performed with pulsar-timing arrays. Indeed, recent array data sets yield different gravitational-wave background upper limits and detection statistics when analyzed with different solar system ephemerides. Crucially, the ephemerides do not generally provide usable error representations. In this article, we describe the motivation, construction, and application of a physical model of solar system ephemeris uncertainties, which focuses on the degrees of freedom (Jupiterʼs orbital elements) most relevant to gravitational-wave searches with pulsar-timing arrays. This model, BAYESEPHEM, was used to derive ephemeris-robust results in NANOGravʼs 11 yr stochastic-background search, and it provides a foundation for future searches by NANOGrav and other consortia. The analysis and simulations reported here suggest that ephemeris modeling reduces the gravitational-wave sensitivity of the 11 yr data set and that this degeneracy will vanish with improved ephemerides and with pulsar-timing data sets that extend well beyond a single Jovian orbital period.

M Vallisneri↗
DOE OSTI2023

Modeling and Uncertainty Quantification of CESAR1 Solvent System for Post-Combustion Capture

This presentation is focused on the development of the CESAR1 solvent system model by the CCSI2 team and validation with pilot plant data from Technology Centre Mongstad. It also serves as an update of previous work by incorporating a new thermodynamic model of the system developed by collaborators from Heriot-Watt University through the SCOPE program. Finally, it includes some discussions on future directions of the project including collaboration with SCOPE to add the capability of amine emissions prediction along with some parametric uncertainty quantification work on the submodels.

Morgan, Joshua↗
DOE OSTI2022

Combining translational and rotational seismic motions to invert local-scale seismic data for time-variable moment tensors: do rotational motions help for high-frequency seismic data produced by underground explosions?

SUMMARY We present an analysis of combining translational and rotational seismic data in an inversion for the time-variable source time functions corresponding to the components of the seismic moment tensor. We conduct a series of numerical experiments where the data are simulated by a combination of an underground explosion and a co-located double couple shear source and recorded on surface-mounted seismometers within 1–2 km of the source. The experiments are designed to mimic explosion seismology experiments, and thus the data are in the 1–10 Hz frequency range and contain very few surface waves. We use a Monte Carlo method to propagate Earth model uncertainty into the estimates of seismic source parameters. In our experiments, we find that the uncertainty of the estimated seismic source parameters increases when we add rotational seismic motions to the inversion when using a constant number of data channels. In this case, the increased degree of uncertainty in the final results is most likely due to the near-surface Earth model uncertainty that we introduce in our simulations. However, for a fixed number of seismic stations, adding rotational seismic motions to the inversion acts to decrease the uncertainty of the estimated seismic source parameters, most likely due to the increase in the number of data channels used in the inversion.

Poppeliers, Christian (ORCID:0000000159526849)↗
DOE OSTI2020

An Assessment of the Influence of Uncertainty in Temporally Evolving Streamflow Forecasts on Riverine Inundation Modeling

Continental-scale river forecasting platforms forecast streamflow at reaches that can be used as boundary conditions to drive a local-scale flood inundation model. Uncertainty accumulated during this process stems not only from any part of the forecasting chain but can also be caused by the daily variations in weather forcing that keeps evolving as the event advances. This work aims to examine the influence of the evolving forecast streamflow on predicting the maximum inundation for extreme floods. A diagnostic case study was made on the basis of a hindcast of Hurricane Matthew striking the eastern U.S. in 2016. The U.S. National Water Model was one-way coupled to a hydrodynamic inundation model through a developed automated workflow. Although the river forcing has significantly mismatched hydrographs versus observations, the simulated peak water surface elevations and maximum extents were validated to be comparable with the observations, which indicates that the inundation model may not be sensitive to the inherited uncertainty from the weather forcing. Moreover, the uncertainty of the forecast streamflow time series caused only one order of magnitude fewer variations in inundation prediction; this dampening effect may become clearer for extreme events with large areas inundated. In addition, the forecast total volume of stream discharge appears to be an important metric for assessing the performance of river forcing for inundation mapping, as a linear correlation between the total volume and the accuracy of the predicted peak water surface elevation and maximum extent was found, with the coefficients of determination all above 0.8. Extra best-practice experience of running similar operational tasks demonstrated the tradeoff between the cost and accuracy gain.

flood, national water model, RIFT↗
NASA NTRS2004

Integrated Modeling Activities for the James Webb Space Telescope (JWST): Structural-Thermal-Optical Analysis

This is a continuation of a series of papers on modeling activities for JWST. The structural-thermal- optical, often referred to as "STOP", analysis process is used to predict the effect of thermal distortion on optical performance. The benchmark STOP analysis for JWST assesses the effect of an observatory slew on wavefront error. The paper begins an overview of multi-disciplinary engineering analysis, or integrated modeling, which is a critical element of the JWST mission. The STOP analysis process is then described. This process consists of the following steps: thermal analysis, structural analysis, and optical analysis. Temperatures predicted using geometric and thermal math models are mapped to the structural finite element model in order to predict thermally-induced deformations. Motions and deformations at optical surfaces are input to optical models and optical performance is predicted using either an optical ray trace or WFE estimation techniques based on prior ray traces or first order optics. Following the discussion of the analysis process, results based on models representing the design at the time of the System Requirements Review. In addition to baseline performance predictions, sensitivity studies are performed to assess modeling uncertainties. Of particular interest is the sensitivity of optical performance to uncertainties in temperature predictions and variations in metal properties. The paper concludes with a discussion of modeling uncertainty as it pertains to STOP analysis.

Johnston, John D.↗
DOE OSTI2022

Model Coupling Through Learned Representations

Reliable climate predictions are important for making robust decisions in response to the changing climate. This project aims to reduce mis-modeling uncertainties arising from the representation of the land-atmosphere coupling in the Energy Exascale Earth System Model (E3SM) by using a machine learning approach. This approach will use an encoder-decoder architecture to represent the information that is developed in the land model and given to the atmosphere model. The simulated data will be taken from the E3SM simulation. However, the incorporation of observed data into the simulated dataset reduces mis-modeling uncertainties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Yes, No, Maybe So: Human Factors Considerations for Fostering Calibrated Trust in Foundation Models Under Uncertainty

High-stakes analytical environments require analysts to evaluate evidence and generate conclusions to inform critical decisions often under conditions of uncertainty. Probabilistic decision-making based on incomplete or inaccurate information can reduce productivity, compromise national interests, and endanger public safety. Researchers are developing expert systems built on foundation models (FMs) to support analysts’ decision-making processes by enabling human-artificial intelligence (AI) teaming, in part through the quantification and expression of uncertainty information. As FMs continue to mature, it is imperative to correspondingly consider analysts’ needs for appropriately interpreting and using uncertainty information. However, prior research indicates that it remains unclear how analysts engage with FM-generated uncertainty information and the extent to which these interactions influence trust in, and reliance on, expert systems. We plan to review the state of the science and conduct an exploratory, qualitative study to (a) understand how properly communicated uncertainty can foster calibrated trust and appropriate reliance and (b) identify approaches for effectively conveying FM-generated uncertainty information during analytical workflows. We will administer semi-structured interviews with analysts from a specific high-stakes analytical environment to collect their current experiences with job-related uncertainty and their impressions when viewing FM-generated uncertainty information. During the interview protocol, participants will be presented with several different FM outputs and invited to discuss their thoughts and beliefs about the uncertainty information displayed. Participants may provide insights into how trust and reliance may be influenced by uncertainty. The results of this study will help us to better understand how analysts currently interpret and use uncertainty information. Our findings may inform human factors recommendations for effectively conveying uncertainty information to foster calibrated trust in, and appropriate reliance on, expert systems. Interaction designers and FM developers can use this knowledge to enhance human-AI teaming and ensure the responsible deployment of FM-based expert systems in analytical workflows.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Robust time-optimal control of uncertain structural dynamic systems

A time-optimal open-loop control problem of flexible spacecraft in the presence of modeling uncertainty has been investigated. The results indicate that the proposed approach significantly reduces the residual structural vibrations caused by modeling uncertainty. The results also indicate the importance of proper jet placement for practical tradeoffs among the maneuvering time, fuel consumption, and performance robustness.

Wie, Bong↗
NASA NTRS2018

Comparisons of Two Spatial Implementations of a Crop Model Using Remotely Sensed Observations over Southeastern United States

Global food security is one of the most pressing issues of the current century, particularly for developing nations. Agricultural simulation models can be a key component in testing new technologies, seeds and cultivars etc. However, inaccurate input information, model related errors and the mode of implementation can also add to model uncertainties. In this study, the crop model is implemented in two separate fashions: a)gridded (GriDSSAT model) and b) using random spatial ensembles (RHEAS model). This is done in the Southeastern US to evaluate and understand the modelperformance over a region data availabilities. Once the model performance is assessed, multiple satellite based earth observation parameters such as soil moisture, vegetation index etc. can be assimilated into crop models to reduce input and model related uncertainties particularly in data limited regions. In this study, the National Agricultural Statistical Services (NASS) reported yield data at county levels are used for comparison andvalidation purposes. The GriDSSAT model estimation of corn yields in comparison with the reported NASS yields showed an overall RMSD of nearly 3720 (kg/ha) whereas RMSD for the RHEAS model implementation was 3550 (kg/ha). Overall the GriDSSAT model had negative bias of nearly 2400 kg/ha (except for 2013) while RHEAS had a slight positive bias of 400 kg/ha (approx.).

SERVIR↗
DOE OSTI2023

Stochastic Framework for Optimal Control of Planetary Reentry Trajectories Under Multilevel Uncertainties

We present a novel stochastic optimal control framework that accounts for various types of uncertainties, with application to reentry trajectory planning. The formulation of the optimal trajectory control problem is presented in the context of an indirect method where a functional objective associated with the terminal vehicle speed is to be minimized. Uncertain input parameters in the optimal trajectory control model, including aerodynamic parameters and initial and terminal conditions, are modeled as aleatory random variables, while the statistical parameters of these aleatory distributions are themselves random variables. The parametric and model uncertainties are simultaneously propagated through an extended polynomial chaos expansion (EPCE) formalism. Several metrics are described to evaluate response statistics and presented as insightful tools for robust decision making. Specifically, the response probability density function (PDF) reflecting influence of both epistemic and aleatory uncertainties is obtained. By sampling over the random variables representing model error, an ensemble of response PDFs is generated and the associated failure probability is estimated as a random variable with its own polynomial chaos expansion. Besides, the sensitivity index functions of response PDF with respect to the statistical parameters are evaluated. Coupling parametric and model uncertainties within the EPCE framework leads to a robust and efficient paradigm for multilevel uncertainty propagation and PDF characterization in general optimal control problems.

Engineering↗