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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 NTRS2020

Designing an Optimal Ensemble Strategy for GMAO S2S Forecast System

The NASA Global Modeling and Assimilation Office (GMAO) Sub-seasonal to Seasonal (S2S) prediction system is being readied for a major upgrade. An important factor in successful extended range forecasting is the definition of the ensemble. Our overall strategy is to run a relatively large ensemble of about 40 members up to 3 months (focusing on the sub-seasonal forecast problem), after which we sub-sample the ensemble, and continue the forecast with about 10 members (up to 12 months). Here we present the results of our testing of various ways to generate the initial perturbations and the validation of a stratified sampling approach for choosing the members of the smaller ensemble. For the initialization of the ensemble we propose a combination of lagged and burst initial conditions. To generate perturbations for the burst ensemble members we used scaled differences of pairs of analysis states (chosen randomly from the corresponding season) separated by 1-10 days. We consider perturbing separately the atmosphere and the ocean, or both. By varying the separation times between the analysis states, we are able to produce perturbations that resemble well-known modes of variability. Focusing on the ENSO SST indices, we found that all types of perturbations are important for the ensemble spread with, however, considerable differences in the timing of the impacts on spread for the atmospheric and oceanic perturbations.Our initial (larger) ensemble size was determined so as to maximize the skill of predicting some of the leading modes of boreal winter atmospheric modes (namely the NAO, PNA and AO). Since it is not feasible for us to run with the larger ensemble beyond about 3 months, we employ a stratified sampling procedure that identifies the emerging directions of error growth to subset the ensemble. By comparing the results from the stratified ensemble with that of the randomly sampled ensemble of the same size, we find that the former provides substantially better estimates the mean of the original large ensemble.

Borovikov, Anna↗
DOE OSTI2023

gLaSDI: Parametric physics-informed greedy latent space dynamics identification

A parametric adaptive physics-informed greedy Latent Space Dynamics Identification (gLaSDI) method is proposed for accurate, efficient, and robust data-driven reduced-order modeling of high-dimensional nonlinear dynamical systems. In the proposed gLaSDI framework, an autoencoder discovers intrinsic nonlinear latent representations of high-dimensional data, while dynamics identification (DI) models capture local latent-space dynamics. Here, an interactive training algorithm is adopted for the autoencoder and local DI models, which enables identification of simple latent-space dynamics and enhances accuracy and efficiency of data-driven reduced-order modeling. To maximize and accelerate the exploration of the parameter space for the optimal model performance, an adaptive greedy sampling algorithm integrated with a physics-informed residual-based error indicator and random-subset evaluation is introduced to search for the optimal training samples on the fly. Further, to exploit local latent-space dynamics captured by the local DI models for an improved modeling accuracy with a minimum number of local DI models in the parameter space, a -nearest neighbor convex interpolation scheme is employed. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including Burgers equations, nonlinear heat conduction, and radial advection. The proposed adaptive greedy sampling outperforms the conventional predefined uniform sampling in terms of accuracy. Compared with the high-fidelity models, gLaSDI achieves 17 to 2,658× speed-up with 1 to 5% relative errors.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2015

Observing System Simulations for Small Satellite Formations Estimating Bidirectional Reflectance

The bidirectional reflectance distribution function (BRDF) gives the reflectance of a target as a function of illumination geometry and viewing geometry, hence carries information about the anisotropy of the surface. BRDF is needed in remote sensing for the correction of view and illumination angle effects (for example in image standardization and mosaicing), for deriving albedo, for land cover classification, for cloud detection, for atmospheric correction, and other applications. However, current spaceborne instruments provide sparse angular sampling of BRDF and airborne instruments are limited in the spatial and temporal coverage. To fill the gaps in angular coverage within spatial, spectral and temporal requirements, we propose a new measurement technique: Use of small satellites in formation flight, each satellite with a VNIR (visible and near infrared) imaging spectrometer, to make multi-spectral, near-simultaneous measurements of every ground spot in the swath at multiple angles. This paper describes an observing system simulation experiment (OSSE) to evaluate the proposed concept and select the optimal formation architecture that minimizes BRDF uncertainties. The variables of the OSSE are identified; number of satellites, measurement spread in the view zenith and relative azimuth with respect to solar plane, solar zenith angle, BRDF models and wavelength of reflection. Analyzing the sensitivity of BRDF estimation errors to the variables allow simplification of the OSSE, to enable its use to rapidly evaluate formation architectures. A 6-satellite formation is shown to produce lower BRDF estimation errors, purely in terms of angular sampling as evaluated by the OSSE, than a single spacecraft with 9 forward-aft sensors. We demonstrate the ability to use OSSEs to design small satellite formations as complements to flagship mission data. The formations can fill angular sampling gaps and enable better BRDF products than currently possible.

small satellite↗
DOE OSTI2024

Learning Quantum States and Unitaries of Bounded Gate Complexity

While quantum state tomography is notoriously hard, most states hold little interest to practically minded tomographers. Given that states and unitaries appearing in nature are of bounded gate complexity, it is natural to ask if efficient learning becomes possible. In this work, we prove that to learn a state generated by a quantum circuit with G two-qubit gates to a small trace distance, a sample complexity scaling linearly in G is necessary and sufficient. We also prove that the optimal query complexity to learn a unitary generated by G gates to a small average-case error scales linearly in G . While sample-efficient learning can be achieved, we show that under reasonable cryptographic conjectures, the computational complexity for learning states and unitaries of gate complexity G must scale exponentially in G . We illustrate how these results establish fundamental limitations on the expressivity of quantum machine-learning models and provide new perspectives on no-free-lunch theorems in unitary learning. Together, our results answer how the complexity of learning quantum states and unitaries relate to the complexity of creating these states and unitaries. Published by the American Physical Society 2024

Zhao, Haimeng (ORCID:0000000166751489)↗
DOE OSTI2025

Curiosity driven exploration to optimize structure–property learning in microscopy

Rapidly determining structure–property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of the local structure, while spectroscopic measurements provide relevant functional property information. Deep kernel active learning approaches have been utilized to rapidly map local structure to functional properties in microscopy experiments, but are computationally expensive for multi-dimensional and correlated output spaces. Here, we present an alternative lightweight curiosity algorithm which actively samples regions with unexplored structure–property relations, utilizing a deep-learning based surrogate model for error prediction. We show that the algorithm outperforms random sampling for predicting properties from structures, and provides a convenient tool for efficient mapping of structure–property relationships in materials science.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Application of lagged averaged forecasting to medium range forecasting

The lagged average forecast (LAF) method for predicting and compensating for forecast error growth is applied to two 100 day samples of 10 day forecasts at the 500 mb altitude for winter-summer 1980-81. The LAF parameterizes the forecast error growth in order to weight the forecast with regression calculations. A 5 day LAF forecast was generated for a 10 day forecast made with a 1681 d.o.f. model which produced predictions using a truncated spherical harmonic expansion. A 100 day data set was employed, with the first 90 days serving for LAF forecasts for the model forecast. Significant improvements were obtained in the model forecast when the LAF weightings were introduced into the model variables.

Dalcher, A.↗
NASA NTRS2013

Ensemble Data Assimilation Without Ensembles: Methodology and Application to Ocean Data Assimilation

Two methods to estimate background error covariances for data assimilation are introduced. While both share properties with the ensemble Kalman filter (EnKF), they differ from it in that they do not require the integration of multiple model trajectories. Instead, all the necessary covariance information is obtained from a single model integration. The first method is referred-to as SAFE (Space Adaptive Forecast error Estimation) because it estimates error covariances from the spatial distribution of model variables within a single state vector. It can thus be thought of as sampling an ensemble in space. The second method, named FAST (Flow Adaptive error Statistics from a Time series), constructs an ensemble sampled from a moving window along a model trajectory. The underlying assumption in these methods is that forecast errors in data assimilation are primarily phase errors in space and/or time.

Data Assimilation↗
NASA NTRS1986

Digital Filter Separates Signal From Noise

Variance of signal-estimation error minimized. Mathematical technique extracts best estimates of signal component from periodic digital samples of signal plus noise. Technique combines Kalman- and smoothingfilter algorithms to minimize mean-square estimation error based on past, present, and predicted samples of signal plus noise. Technique useful in image analysis and other applications involving processing of noisy signals.

Lear, W. M.↗
DOE OSTI2020

Calibration and Uncertainty Estimation Using the Ensemble Kalman Filter with a Large Subsurface Flow and Transport Model - 20321

At routinely monitored groundwater contamination sites, periodically measured environmental conditions such as groundwater levels and contaminant concentrations are used to inform and confirm a conceptual site model (CSM) and guide the development and calibration of a numerical groundwater flow and transport model. The calibration of groundwater flow and transport models after each measurement (sampling) event can illuminate deficiencies in a CSM, identify areas where additional monitoring is warranted, and predict the behavior of the system to guide decision making. However, manual and automated (e.g. PEST) model calibration tools can be time-consuming and computationally expensive to implement after each sampling event. Perhaps as a result, such calibration tools generally utilize all available monitoring data simultaneously rather than sequentially assimilating monitoring data one sampling event at a time as the results from sampling become available. A more real-time data assimilation approach may reduce parameter uncertainty, quantify the value of additional monitoring data, and produce a usable model more quickly and with less effort. To mitigate the potential time-consuming aspects of manual and widely applied automated calibration techniques, a data assimilation algorithm called the ensemble Kalman filter (EnKF) was evaluated as a relatively efficient method of model calibration and uncertainty assessment via the sequential integration of monitoring data into a model. The EnKF was able to successfully and efficiently assimilate monitoring and modeling data to calibrate a complex flow and transport model at a real-world site with significant subsurface heterogeneity, uncertainty, and 12 years of monitoring data (over 4,000 individual measurements of groundwater levels and over 2,500 measurements of contaminant concentrations). Starting with an uncalibrated model data from annual sampling events were sequentially assimilated, and the resultant predication errors and estimated parameter uncertainties were tracked. After all monitoring data were assimilated, both flow and transport residuals at the end of the EnKF process were comparable to those produced via a concurrent PEST calibration effort but required fewer model simulations. Both uncertainty and prediction errors decreased over time. In a real-time application, the adequacy of the model could be assessed after each sampling event. The benefits of such a real-time approach to utilizing monitoring data include reduced costs (in the form of model updates or site characterization efforts), early flagging of possible errors in the CSM, and a reduced risk of overfitting and corresponding increased confidence in model predictions. This tool may be particularly useful compared to other calibration techniques (e.g. manual, PEST) when model runtimes are long, calibration parameters are many, or parameter uncertainty is large. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1991

Optical properties of cometary dust

The application of measured optical constants to the interaction of electromagnetic radiation with small cometary dust particles is discussed, with emphasis on the interpretation of cometary observations. It is found that in some spectral regions optical constants vary greatly with wavelength. The optical constants may be incorrect. Because of errors in measurement, or the application of the Kramers-Kronig relationship over too small a spectral region, or an improperly prepared sample, the derived optical constants may be in error. It is suggested that a full Kramers-Kronig analysis and application of the more important sum rules should be performed on any set of optical constants whose accuracy is important. Optical constants derived from the measurement of inhomogeneous materials, where the inhomogeneities are of comparable size to that of the beam of radiation used in the experiment, should not be used to predict the optical properties of small particles.

Lien, David J.↗
NASA NTRS1979

LACIE sampling design

The sampling design in LACIE consisted of two major components, one for wheat acreage estimation and one for wheat yield prediction. The acreage design was basically a classical survey for which the sampling unit was a 5- by 6-nautical mile segment; however, there were complications caused by measurement errors and loss of data. Yield was predicted by sampling meteorological data from weather stations within a region and then using those data as input to previously fitted regression equations. Wheat production was not estimated directly, but was computed by multiplying yield and acreage estimates. The allocation of samples to countries is discussed as well as the allocation and selection of segments in strata/substrata.

Feiveson, A. H.↗
NASA NTRS1993

Investigation of spectral analysis techniques for randomly sampled velocimetry data

It is well known that velocimetry (LV) generates individual realization velocity data that are randomly or unevenly sampled in time. Spectral analysis of such data to obtain the turbulence spectra, and hence turbulence scales information, requires special techniques. The 'slotting' technique of Mayo et al, also described by Roberts and Ajmani, and the 'Direct Transform' method of Gaster and Roberts are well known in the LV community. The slotting technique is faster than the direct transform method in computation. There are practical limitations, however, as to how a high frequency and accurate estimate can be made for a given mean sampling rate. These high frequency estimates are important in obtaining the microscale information of turbulence structure. It was found from previous studies that reliable spectral estimates can be made up to about the mean sampling frequency (mean data rate) or less. If the data were evenly samples, the frequency range would be half the sampling frequency (i.e. up to Nyquist frequency); otherwise, aliasing problem would occur. The mean data rate and the sample size (total number of points) basically limit the frequency range. Also, there are large variabilities or errors associated with the high frequency estimates from randomly sampled signals. Roberts and Ajmani proposed certain pre-filtering techniques to reduce these variabilities, but at the cost of low frequency estimates. The prefiltering acts as a high-pass filter. Further, Shapiro and Silverman showed theoretically that, for Poisson sampled signals, it is possible to obtain alias-free spectral estimates far beyond the mean sampling frequency. But the question is, how far? During his tenure under 1993 NASA-ASEE Summer Faculty Fellowship Program, the author investigated from his studies on the spectral analysis techniques for randomly sampled signals that the spectral estimates can be enhanced or improved up to about 4-5 times the mean sampling frequency by using a suitable prefiltering technique. But, this increased bandwidth comes at the cost of the lower frequency estimates. The studies further showed that large data sets of the order of 100,000 points, or more, high data rates, and Poisson sampling are very crucial for obtaining reliable spectral estimates from randomly sampled data, such as LV data. Some of the results of the current study are presented.

Sree, Dave↗
NASA NTRS1986

A simple, objective analysis scheme for scatterometer data

A simple economical objective analysis scheme is devised and tested on real scatterometer data. It is designed to treat dense data such as those of the Seasat A Satellite Scatterometer (SASS) for individual or multiple passes, and preserves subsynoptic scale features. Errors are evaluated with the aid of sampling ('bootstrap') statistical methods. In addition, sensitivity tests have been performed which establish qualitative confidence in calculated fields of divergence and vorticity. The SASS wind algorithm could be improved; however, the data at this point are limited by instrument errors rather than analysis errors. The analysis error is typically negligible in comparison with the instrument error, but amounts to 30 percent of the instrument error in areas of strong wind shear. The scheme is very economical, and thus suitable for large volumes of dense data such as SASS data.

Levy, G.↗
DOE OSTI2023

A Decision-Relevant Factor-Fixing Framework: Application to Uncertainty Analysis of a High-Dimensional Water Quality Model

Factor Fixing (FF) is a common method for reducing the number of model parameters to lower computational cost. FF typically starts with distinguishing the insensitive parameters from the sensitive and pursues uncertainty quantification (UQ) on the resulting reduced-order model, fixing each insensitive parameter at a fixed value. There is a need, however, to expand such a common approach to consider the effects of decision choices in the FF-UQ procedure on metrics of interest. Therefore, to guide the use of FF and increase confidence in the resulting dimension-reduced model, we propose a new adaptive framework consisting of four principles: (a) re-parameterize the model first to reduce obvious non-identifiable parameter combinations, (b) focus on decision relevance especially with respect to errors in quantities of interest (QoI), (c) conduct adaptive evaluation and robustness assessment of errors in the QoI across FF choices as sample size increases, and (d) reconsider whether fixing is warranted. The framework is demonstrated on a spatially-distributed water quality model. The error in estimates of QoI caused by FF can be estimated using a Polynomial Chaos Expansion (PCE) surrogate model. Built with 70 model runs, the surrogate is computationally inexpensive to evaluate and can provide global sensitivity indices for free. For the selected catchment, just two factors may provide an acceptably accurate estimate of model uncertainty in the average annual load of Total Suspended Solids (TSS), suggesting that reducing the uncertainty in these two parameters is a priority for future work before undertaking further formal uncertainty quantification.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

Twin-capacitive shaft angle encoder with analog output signal

A precision capacitive shaft encoder providing a dc signal corresponding to the angular position of a shaft is described. Two variable capacitances are coupled in tandem by a rotatable shaft. Each capacitor has a capacitance that varies linearly with a change in the angular position of the shaft. The sum of the two capacitances is always constant for any angular position of the shaft. Each capacitance is alternately coupled to a reference dc voltage and a discharge circuit. The capacitances are electrically coupled in series and the charge periodically acquired at the junction of the capacitance is a function of the position of the shaft. An error-compensating voltage is imposed on the junction when the capacitances are coupled to the reference voltages. The junction is coupled to sample-and-hold apparatus provided with a error-correcting circuit.

Hruby, R. J.↗
NASA NTRS1988

An analysis of the shapes of ultraviolet extinction curves. II - The far-UV extinction

In this paper the properties of interstellar extinction in the far-ultraviolet region are examined utilizing IUE extinction curves for a primary data sample of 45 reddened Milky Way OB stars. These results are combined with those derived for the 2175 A bump in a previous study. It is found that IUE extinction curves can be represented by linear combinations of a Lorentzian-like 2175 A bump profile, a well-determined FUV curvature term, and an underlying linear component. The parameters of the linear component are strongly correlated and therefore only five free parameters are required to fit all of the curves in our sample. Three parameters describe the 2175 A bump, one parameter describes the linear background, and one parameter describes the strength of the FUV curvature term. The shape of the FUV curvature is found to be identical, to within the observational errors, for all the curves in the sample - which spans virtually the entire range of extinction curve morphologies observed in the Milky Way.

Fitzpatrick, Edward L.↗
DOE OSTI2022

Automated quantum error mitigation based on probabilistic error reduction

Current quantum computers suffer from a level of noise that prohibits extracting useful results directly from longer computations. The figure of merit in many near-term quantum algorithms is an expectation value measured at the end of the computation, which experiences a bias in the presence of hardware noise. A systematic way to remove such bias is probabilistic error cancellation (PEC). PEC requires a full characterization of the noise and introduces a sampling overhead that increases exponentially with circuit depth, prohibiting high-depth circuits at realistic noise levels. Probabilistic error reduction (PER) is a related quantum error mitigation method that systematically reduces the sampling overhead at the cost of reintroducing bias. In combination with zero-noise extrapolation, PER can yield expectation values with an accuracy comparable to PEC.Noise reduction through PER is broadly applicable to near-term algorithms, and the automated implementation of PER is thus desirable for facilitating its widespread use. To this end, we present an automated quantum error mitigation software framework that includes noise tomography and application of PER to user-specified circuits. We provide a multi-platform Python package that implements a recently developed Pauli noise tomography (PNT) technique for learning a sparse Pauli noise model and exploits a Pauli noise scaling method to carry out PER.We also provide software tools that leverage a previously developed toolchain, employing PyGSTi for gate set tomography and providing a functionality to use the software Mitiq for PER and zero-noise extrapolation to obtain error-mitigated expectation values on a user-defined circuit.

McDonough, Benjamin↗
DOE OSTI2021

A systematic comparison of machine learning methods for modeling of dynamic processes applied to combustion emission rate modeling

Ten established, data-driven dynamic algorithms are surveyed and a practical guide for understanding these methods generated. Existing Python programming packages for implementing each algorithm are acknowledged, and the model equations necessary for prediction are presented. A case study on a coal-fired power plant’s NO x emission rates is performed, directly comparing each modeling method’s performance on a mutual system. Each model is evaluated by its root mean squared error (RMSE) on out-of-sample future horizon predictions. Optimal hyperparameters are identified using either an exhaustive search or genetic algorithm. The top five model structures of each method are used to recursively predict future NO x emission rates over a 60-step time horizon. The RMSE at each future timestep is determined, and the recursive output prediction trends compared against measurements in time. The GRU neural network is identified as the best candidate for representing the system, demonstrating accurate and stable predictions across the future horizon by all considered models, while satisfactory performance was observed in several of the ARX/NARX formulations. Finally, these efforts have contributed 1) a concise resource of multiple proven dynamic machine learning methods, 2) a practical guide explaining the use of these methods, effectively lowering the “barrier-to-entry” of deploying such models in control systems, 3) a comparison study evaluating each method’s performance on a mutual system, 4) demonstration of accurate multi-timestep emissions modeling suitable for systems-level control, and 5) generalizable results demonstrating the suitability of each method for prediction over a multi-step future horizon to other complex dynamic systems.

42 ENGINEERING↗