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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Results of the NASA Prediction Uncertainty Reduction Tech Challenge

In January 2021 the Advanced Air Vehicles Program approved a new Tech Challenge (TC) to be run out of the Commercial Supersonic Technology (CST) Project. The objective of the TC was to bring uncertainties in the empirical noise modeling for civilian supersonic aircraft into the same range as that of conventional aircraft. The TC goal statement was to “Produce data and demonstrate tools that reduce the uncertainty in predicting Landing & Takeoff Noise levels of supersonic-relevant designs by 5 EPNdB and are ready for use in studies to inform FAA rule-making.” To make the required improvements in noise prediction methods for supersonic aircraft, NASA decided to validate and use high-fidelity numerical simulations to acquire the needed noise data on supersonic propulsion configurations. High-fidelity component designs were developed, such as a two-stage propulsor behind a supersonic inlet designed by General Electric Aviation and variable area exhaust systems using input from recent contracts with GE and Rolls Royce. A noise database was generated as a function of geometric and flow parameters, providing corrections to the empirical noise models and added new input variables to describe the complexities created by the supersonic-specific design features. Statistically, the new models were able to predict the acoustic impact of supersonic-specific features, the reduction in uncertainty being reduced from the baseline 7.8 EPNdB at the beginning of the TC to 2.0 EPNdB at the end.

noise prediction↗
NASA NTRSDate not supplied

Update on Prediction Uncertainty Reduction (PUR) Tech Challenge

NASA has taken on a Technical Challenge to reduce the uncertainty in prediction of noise from near-term commercial supersonic aircraft. To date, an assessment has been done to baseline this effort, quantifying how much more uncertainty exists when the system-level prediction methods are applied to supersonic aircraft as compared to conventional aircraft. And an assessment has been made for the uncertainty in the physics-based simulations for jets. These will be briefly demonstrated.

supersonic↗
DOE OSTI2024

Evidential Deep Learning: Enhancing Predictive Uncertainty Estimation for Earth System Science Applications

Abstract Robust quantification of predictive uncertainty is a critical addition needed for machine learning applied to weather and climate problems to improve the understanding of what is driving prediction sensitivity. Ensembles of machine learning models provide predictive uncertainty estimates in a conceptually simple way but require multiple models for training and prediction, increasing computational cost and latency. Parametric deep learning can estimate uncertainty with one model by predicting the parameters of a probability distribution but does not account for epistemic uncertainty. Evidential deep learning, a technique that extends parametric deep learning to higher-order distributions, can account for both aleatoric and epistemic uncertainties with one model. This study compares the uncertainty derived from evidential neural networks to that obtained from ensembles. Through applications of the classification of winter precipitation type and regression of surface-layer fluxes, we show evidential deep learning models attaining predictive accuracy rivaling standard methods while robustly quantifying both sources of uncertainty. We evaluate the uncertainty in terms of how well the predictions are calibrated and how well the uncertainty correlates with prediction error. Analyses of uncertainty in the context of the inputs reveal sensitivities to underlying meteorological processes, facilitating interpretation of the models. The conceptual simplicity, interpretability, and computational efficiency of evidential neural networks make them highly extensible, offering a promising approach for reliable and practical uncertainty quantification in Earth system science modeling. To encourage broader adoption of evidential deep learning, we have developed a new Python package, Machine Integration and Learning for Earth Systems (MILES) group Generalized Uncertainty for Earth System Science (GUESS) (MILES-GUESS) ( https://github.com/ai2es/miles-guess ), that enables users to train and evaluate both evidential and ensemble deep learning. Significance Statement This study demonstrates a new technique, evidential deep learning, for robust and computationally efficient uncertainty quantification in modeling the Earth system. The method integrates probabilistic principles into deep neural networks, enabling the estimation of both aleatoric uncertainty from noisy data and epistemic uncertainty from model limitations using a single model. Our analyses reveal how decomposing these uncertainties provides valuable insights into reliability, accuracy, and model shortcomings. We show that the approach can rival standard methods in classification and regression tasks within atmospheric science while offering practical advantages such as computational efficiency. With further advances, evidential networks have the potential to enhance risk assessment and decision-making across meteorology by improving uncertainty quantification, a longstanding challenge. This work establishes a strong foundation and motivation for the broader adoption of evidential learning, where properly quantifying uncertainties is critical yet lacking.

Schreck, John S.↗
NASA NTRS2013

The Impact of Trajectory Prediction Uncertainty on Air Traffic Controller Performance and Acceptability

A Human-In-The-Loop air traffic control simulation investigated the impact of uncertainties in trajectory predictions on NextGen Trajectory-Based Operations concepts, seeking to understand when the automation would become unacceptable to controllers or when performance targets could no longer be met. Retired air traffic controllers staffed two en route transition sectors, delivering arrival traffic to the northwest corner-post of Atlanta approach control under time-based metering operations. Using trajectory-based decision-support tools, the participants worked the traffic under varying levels of wind forecast error and aircraft performance model error, impacting the ground automations ability to make accurate predictions. Results suggest that the controllers were able to maintain high levels of performance, despite even the highest levels of trajectory prediction errors.

trajectory prediction uncertainty↗
NASA NTRS2018

Aircraft System Noise Prediction Uncertainty Quantification for a Hybrid Wing Body Subsonic Transport Concept

Aircraft system level noise prediction for advanced, unconventional concepts has undergone significant improvement over the past two decades. The prediction modeling uncertainty must be quantified so that potential benefits of unconventional configurations, which are outside of the range of empirical models, can be reliably assessed. This paper builds on previous work in an effort to improve estimates of element prediction uncertainties where the prediction methodology has been improved, or new experimental validation data are available, to provide an estimate of the system level uncertainty in the prediction process. In general, the uncertainty of the prediction will be strongly dependent on the aircraft configuration as well as which technologies are integrated. While the quantitative uncertainty values contained here are specific to the hybrid wing body design presented, the underlying process is the same regardless of configuration. A refined process for determining the uncertainty for each element of the noise prediction is detailed in this paper. The system level uncertainty in the prediction of the aircraft noise is determined at the three certification points, using a Monte Carlo method. Comparisons with previous work show a reduction of 1 EPNdB in the 95%coverage interval of the cumulative noise level. The largest impediment for continued reduction in uncertainty for the hybrid wing body concept is the need for improved modeling and validation experiments for fan noise, propulsion airframe aeroacoustic effects, and the Krueger flap, which comprise the bulk of the uncertainty in the cumulative certification noise level.

June, Jason C.↗
NASA NTRS2013

Controller Strategies for Automation Tool Use under Varying Levels of Trajectory Prediction Uncertainty

A human-in-the-loop simulation was conducted to examine the effects of varying levels of trajectory prediction uncertainty on air traffic controller workload and performance, as well as how strategies and the use of decision support tools change in response. This paper focuses on the strategies employed by two controllers from separate teams who worked in parallel but independently under identical conditions (airspace, arrival traffic, tools) with the goal of ensuring schedule conformance and safe separation for a dense arrival flow in en route airspace. Despite differences in strategy and methods, both controllers achieved high levels of schedule conformance and safe separation. Overall, results show that trajectory uncertainties introduced by wind and aircraft performance prediction errors do not affect the controllers' ability to manage traffic. Controller strategies were fairly robust to changes in error, though strategies were affected by the amount of delay to absorb (scheduled time of arrival minus estimated time of arrival). Using the results and observations, this paper proposes an ability to dynamically customize the display of information including delay time based on observed error to better accommodate different strategies and objectives.

Strategy↗
NASA NTRS2011

Assessment of Laminar, Convective Aeroheating Prediction Uncertainties for Mars Entry Vehicles

An assessment of computational uncertainties is presented for numerical methods used by NASA to predict laminar, convective aeroheating environments for Mars entry vehicles. A survey was conducted of existing experimental heat-transfer and shock-shape data for high enthalpy, reacting-gas CO2 flows and five relevant test series were selected for comparison to predictions. Solutions were generated at the experimental test conditions using NASA state-of-the-art computational tools and compared to these data. The comparisons were evaluated to establish predictive uncertainties as a function of total enthalpy and to provide guidance for future experimental testing requirements to help lower these uncertainties.

Hollis, Brian R.↗
NASA NTRS2013

Assessment of Laminar, Convective Aeroheating Prediction Uncertainties for Mars-Entry Vehicles

An assessment of computational uncertainties is presented for numerical methods used by NASA to predict laminar, convective aeroheating environments for Mars-entry vehicles. A survey was conducted of existing experimental heat transfer and shock-shape data for high-enthalpy reacting-gas CO2 flows, and five relevant test series were selected for comparison with predictions. Solutions were generated at the experimental test conditions using NASA state-of-the-art computational tools and compared with these data. The comparisons were evaluated to establish predictive uncertainties as a function of total enthalpy and to provide guidance for future experimental testing requirements to help lower these uncertainties.

Hollis, Brian R.↗
NASA NTRS2012

An Efficient Deterministic Approach to Model-based Prediction Uncertainty Estimation

Prognostics deals with the prediction of the end of life (EOL) of a system. EOL is a random variable, due to the presence of process noise and uncertainty in the future inputs to the system. Prognostics algorithm must account for this inherent uncertainty. In addition, these algorithms never know exactly the state of the system at the desired time of prediction, or the exact model describing the future evolution of the system, accumulating additional uncertainty into the predicted EOL. Prediction algorithms that do not account for these sources of uncertainty are misrepresenting the EOL and can lead to poor decisions based on their results. In this paper, we explore the impact of uncertainty in the prediction problem. We develop a general model-based prediction algorithm that incorporates these sources of uncertainty, and propose a novel approach to efficiently handle uncertainty in the future input trajectories of a system by using the unscented transformation. Using this approach, we are not only able to reduce the computational load but also estimate the bounds of uncertainty in a deterministic manner, which can be useful to consider during decision-making. Using a lithium-ion battery as a case study, we perform several simulation-based experiments to explore these issues, and validate the overall approach using experimental data from a battery testbed.

Daigle, Matthew J.↗
DOE OSTI2025

Exploring Data Set Bias and Decision Support with Predictive Uncertainty Through Bayesian Approximations and Convolutional Neural Networks

Individual seismic catalogs can contain multiscale observations from fault level to global scales and associated waveforms from discrete events reflect crustal structure across many different scales and locations. Seismic network aperture, geographic location, and observation distance may not provide informative guidance or intuition on how different catalogs will behave across models trained under different conditions. We rely on uncertainty to provide guardrails for when to trust model decisions, but understanding when our uncertainty is trustworthy is an open challenge. Here, in this work, we explore Bayesian approximation methods for assigning predictive uncertainty in seismic event classification problems. We find that computationally expensive Bayesian approximations do not outperform simple ensemble methods. We also find that when exploiting multiple seismic event catalogs, joint training with data from all the catalogs combined with Bayesian approximations and supervised training for classification can obscure bias and result in less robust uncertainty while also not providing substantial performance benefits compared to training individual models for each catalog.

58 GEOSCIENCES↗
NASA NTRS2020

Toward Comprehensive Uncertainty Predictions for Remote Imaging Spectroscopy

Remote imaging spectroscopy’s role in Earth science will grow in the coming decade as a series of globe-spanning spectroscopy missions launch from NASA, ESA, and other agencies. The nature of remote imaging spectroscopy will change, advancing from short regional studies to address global multi-year questions. The diversity of data will also grow with exposure to a wider range of biomes and atmospheric conditions. To execute these new investigations we must reconcile diverse observing conditions to derive consistent global maps. To this end, rig- orous uncertainty quantification and propagation enables an optimal synthesis of data accounting for observing conditions and data quality. Understanding data uncertainties is also important for principled hypothesis testing, information content assessment, and informed decision making by end users. We survey prior efforts in uncer- tainty quantification for imaging spectroscopy, and describe methods for validating the accuracy of uncertainty predictions. We conclude with a discussion of remaining challenges and promising avenues for future research.

Susiluoto, Jouni↗
DOE OSTI2026

Active operator learning with predictive uncertainty quantification for partial differential equations

With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying reliable surrogate models in scientific applications. Existing uncertainty quantification (UQ) frameworks employ ensembles or Bayesian methods, which can incur substantial computational costs during both training and inference. Here, we propose a lightweight predictive UQ method tailored for Deep operator networks (DeepONets) that also generalizes to other operator networks. Numerical experiments on linear and nonlinear PDEs demonstrate that the framework’s uncertainty estimates are unbiased and provide accurate out-of-distribution uncertainty predictions with a sufficiently large training dataset. Our framework provides fast inference and uncertainty estimates that can efficiently drive outer-loop analyses that would be prohibitively expensive with conventional solvers. We demonstrate how predictive uncertainties can be used in the context of Bayesian optimization and active learning problems to yield improvements in accuracy and data-efficiency for outer-loop optimization procedures. In the active learning setup, we extend the framework to Fourier Neural Operators (FNO) and describe a generalized method for other operator networks. To enable real-time deployment, we introduce an inference strategy based on precomputed trunk outputs and a sparse placement matrix, reducing evaluation time by more than a factor of five. Our method provides a practical route to uncertainty-aware operator learning in time-sensitive settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing this vision requires both providing detailed uncertainty quantification (model prediction errors and domain of applicability) and making models readily usable. At present, it is common practice in the community to assess ML model performance only in terms of prediction accuracy (e.g. mean absolute error), while neglecting detailed uncertainty quantification and robust model accessibility and usability. Here, we demonstrate a practical method for realizing both uncertainty and accessibility features with a large set of models. We develop random forest ML models for 33 materials properties spanning an array of data sources (computational and experimental) and property types (electrical, mechanical, thermodynamic, etc). All models have calibrated ensemble error bars to quantify prediction uncertainty and domain of applicability guidance enabled by kernel-density-estimate-based feature distance measures. All data and models are publicly hosted on the Garden-AI infrastructure, which provides an easy-to-use, persistent interface for model dissemination that permits models to be invoked with only a few lines of Python code. We demonstrate the power of this approach by using our models to conduct a fully ML-based materials discovery exercise to search for new stable, highly active perovskite oxide catalyst materials.

domain of applicability↗
DOE OSTI2023

Automated segmentation of porous thermal spray material CT scans with predictive uncertainty estimation

Abstract Thermal sprayed metal coatings are used in many industrial applications, and characterizing the structure and performance of these materials is vital to understanding their behavior in the field. X-ray computed tomography (CT) enables volumetric, nondestructive imaging of these materials, but precise segmentation of this grayscale image data into discrete material phases is necessary to calculate quantities of interest related to material structure. In this work, we present a methodology to automate the CT segmentation process as well as quantify uncertainty in segmentations via deep learning. Neural networks (NNs) have been shown to excel at segmentation tasks; however, memory constraints, class imbalance, and lack of sufficient training data often prohibit their deployment in high resolution volumetric domains. Our 3D convolutional NN implementation mitigates these challenges and accurately segments full resolution CT scans of thermal sprayed materials with maps of uncertainty that conservatively bound the predicted geometry. These bounds are propagated through calculations of material properties such as porosity that may provide an understanding of anticipated behavior in the field.

Martinez, Carianne↗
NASA NTRS2013

Advanced Methods for Determining Prediction Uncertainty in Model-Based Prognostics with Application to Planetary Rovers

Prognostics is centered on predicting the time of and time until adverse events in components, subsystems, and systems. It typically involves both a state estimation phase, in which the current health state of a system is identified, and a prediction phase, in which the state is projected forward in time. Since prognostics is mainly a prediction problem, prognostic approaches cannot avoid uncertainty, which arises due to several sources. Prognostics algorithms must both characterize this uncertainty and incorporate it into the predictions so that informed decisions can be made about the system. In this paper, we describe three methods to solve these problems, including Monte Carlo-, unscented transform-, and first-order reliability-based methods. Using a planetary rover as a case study, we demonstrate and compare the different methods in simulation for battery end-of-discharge prediction.

prognosis↗
DOE OSTI2024

Glass Design Using Machine Learning Property Models with Prediction Uncertainties: Nuclear Waste Glass Formulation

The United States Department of Energy is responsible for managing the legacy nuclear waste stored in underground tanks at the Hanford Site. The waste will be separately vitrified as low-activity waste and high-level waste fractions. Waste glass formulation algorithms have been traditionally developed using partial quadratic mixture property-composition models. Recently, machine learning (ML) techniques have been used to predict glass properties and discover new glass materials for nuclear waste vitrification, and these advancements can be utilized to improve waste glass composition design. In this proof-of-principle study, ML algorithms such as Gaussian process regression (GPR) were used to interpolate glass properties (e.g., viscosity, electrical conductivity, chemical durability). After selecting appropriate sets of GPR hyper-parameters for each property, an optimization program was developed to formulate glass compositions to maximize waste loading while simultaneously satisfying property within constraints. The results of the ML-based waste loadings and glass compositions were compared to those obtained using the traditional methods. Comparing to the previous glass design framework, the ML-based optimization methods offer improved glass designs and a streamlined approach to generation of optimally designed data and near real-time updates.

glass formulation, machine learning, constraints, ↗
DOE OSTI2026

A Framework for Parametric and Predictive Uncertainty Quantification in the E3SM Land Model: Assessing Site and Observable Generalizability

Quantifying parametric uncertainty using observations from individual sites provides a critical foundation for Earth system modeling, serving as a necessary first step before scaling up to regional or global applications. This study introduces a novel computational framework designed to enhance model predictability by reducing parametric uncertainty and assessing site and observable generalizability using various observational constraints. The framework integrates five components: Model Simulation, Statistical Emulation, Global Sensitivity Analysis (GSA), Model Calibration, and Model Prediction. Using the E3SM land model, we simulated site-level land-atmosphere carbon and energy fluxes from 2003 to 2007 across five evergreen needleleaf FLUXNET sites, perturbing 26 vegetation-related model parameters. Gaussian process emulators were employed to expedite GSA and model calibration. Four critical parameters that strongly influence selected land-atmosphere fluxes were identified by GSA. Bayesian approaches were used to infer parameter probability distributions leveraging synthetic data and FLUXNET observations. The results reveal that posterior parameter distributions vary significantly across different sites and observables within the same plant functional type. Probabilistic predictions indicate that parameters calibrated at one site can enhance predictive accuracy at other sites, although site heterogeneity may sometimes outweigh parametric uncertainty. Additionally, the probabilistic predictions demonstrate that calibration for one variable can also improve predictability for other variables, thereby maximizing predictive capabilities with limited observations. This framework provides a powerful approach for reducing parametric uncertainty in Earth system models and deepening our understanding of carbon dynamics and energy cycles. Its adaptability makes it a valuable tool for broader applications in Earth system modeling.

54 ENVIRONMENTAL SCIENCES↗