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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Self-diagnosis of model suitability for continuous measurements of stream-dissolved organic carbon derived from in situ UV–visible spectroscopy

Application of high-frequency monitoring of dissolved organic carbon (DOC) is difficult in instances where training datasets are challenging to develop (e.g., remote locations) and the relationship between optical features and DOC concentration changes due to environmental or landscape shifts (e.g., climate or land-use change). We developed and compared three partial least squares (PLS) models using in situ water level measurements, conductivity, and UV–Vis spectral attenuation to predict DOC. Two site-specific models were developed using data from a hillslope-dominated forest or a low-relief wetland-pond-dominated stream catchment. The third model, using data from both sites, exhibited the best performance (DOC range = 4–15.5 mg C L −1 , mean = 8.38 mg C L −1 , training RMSE = 0.34 mg C L −1 , internal validation RMSE = 0.50 mg C L −1 , external validation RMSE = 2.43 mg C L −1 ). We further demonstrate using PLS model statistics to monitor performance and elucidate when and how models should be updated. These statistics, Hotelling's T 2 and squared prediction errors, are useful consistency checks for the predictions made and detect underlying inconsistencies that, if undetected, can reduce the robustness of DOC prediction. For example, via the T 2 statistic, we identified the summer–autumn transition as a period when DOC composition differed from what was represented in the training dataset. We also determined that elevated SUVA 254 values contributed to the overall bias observed in predictions made during the subsequent year as part of the external validation. This enabled the application of a bias correction that reduced the RMSE from 2.43 to 0.89 mg C L −1 . The method presented here could be applied to future monitoring programs enabling model updates to monitor DOC fluxes accurately from optical datasets (e.g., attenuance or fluorescence) in the face of developing datasets in remote locations or environmental change. In conclusion, implementation of this approach may also identify possible regime shifts or landscape and hydrologic change associated with climate and other environmental changes relevant to terrestrial to aquatic fluxes.

UV-VIS spectroscopy↗

NASA NTRS1972

Mars gravitational field estimation error

The error covariance matrices associated with a weighted least-squares differential correction process have been analyzed for accuracy in determining the gravitational coefficients through degree and order five in the Mars gravitational potential junction. The results are presented in terms of standard deviations for the assumed estimated parameters. The covariance matrices were calculated by assuming Doppler tracking data from a Mars orbiter, a priori statistics for the estimated parameters, and model error uncertainties for tracking-station locations, the Mars ephemeris, the astronomical unit, the Mars gravitational constant (G sub M), and the gravitational coefficients of degrees six and seven. Model errors were treated by using the concept of consider parameters.

Compton, H. R.↗

NASA NTRS1994

Structure of merger remnants. 4: Isophotal shapes

This paper examines the shapes of isophotes of galaxy merger remnants. More specifically, we perform a series of numerical experiments to study galaxy mergers. The simulations explore a variety of encounter geometries, types of progenitor galaxies, and particle numbers. We 'observe' each of the remnants from 64 viewpoints to estimate how the isophotal shapes vary with the orientation of the remnant. Also, by comparing the results from the various simulations, we learn how encounter geometry and the structure of the progenitors can affect the shape of the remnants. The encounter geometry, the structure of the progenitors, and the orientation of the remnant play deciding roles in the shape of the 'observed' isophotes, so much so that these simulated merger remnants have both 'boxy' and 'disky' isophotes and ellipticities ranging from E0 to E7. Thus, the shapes seen in our merger simulation remnants span a similar range to observed isophotal shapes of real galaxies. Furthermore, to estimate the errors in this analysis, we introduce the statistical bootstrap. Bootstrapping is used rather widely in observational astronomy when dealing with small samples; however, its use is practically unheard of for tackling theoretical problems. We believe that bootstrapping can be extremely useful for dealing with the small samples found in numerical simulations; therefore, we present the rudiments and basis of the technique with emphasis on its use in N-body calculations. Also, by comparing the errors for the smaller simulations with those of the larger ones, we speculate on the number of particles required to accurately explore isophotal shapes in simulations.

Heyl, Jeremy S.↗

DOE OSTI2017

Error modeling for surrogates of dynamical systems using machine learning: Machine-learning-based error model for surrogates of dynamical systems

A machine learning–based framework for modeling the error introduced by surrogate models of parameterized dynamical systems is proposed. The framework entails the use of high-dimensional regression techniques (eg, random forests, and LASSO) to map a large set of inexpensively computed “error indicators” (ie, features) produced by the surrogate model at a given time instance to a prediction of the surrogate-model error in a quantity of interest (QoI). This eliminates the need for the user to hand-select a small number of informative features. The methodology requires a training set of parameter instances at which the time-dependent surrogate-model error is computed by simulating both the high-fidelity and surrogate models. Using these training data, the method first determines regression-model locality (via classification or clustering) and subsequently constructs a “local” regression model to predict the time-instantaneous error within each identified region of feature space. We consider 2 uses for the resulting error model: (1) as a correction to the surrogate-model QoI prediction at each time instance and (2) as a way to statistically model arbitrary functions of the time-dependent surrogate-model error (eg, time-integrated errors). We then apply the proposed framework to model errors in reduced-order models of nonlinear oil-water subsurface flow simulations, with time-varying well-control (bottom-hole pressure) parameters. The reduced-order models used in this work entail application of trajectory piecewise linearization in conjunction with proper orthogonal decomposition. Moreover, when the first use of the method is considered, numerical experiments demonstrate consistent improvement in accuracy in the time-instantaneous QoI prediction relative to the original surrogate model, across a large number of test cases. When the second use is considered, results show that the proposed method provides accurate statistical predictions of the time- and well-averaged errors.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Statistical Assessment of Proton Treatment Plans Under Setup and Range Uncertainties

Purpose: To evaluate a method for quantifying the effect of setup errors and range uncertainties on dose distribution and dose–volume histogram using statistical parameters; and to assess existing planning practice in selected treatment sites under setup and range uncertainties. Methods and Materials: Twenty passively scattered proton lung cancer plans, 10 prostate, and 1 brain cancer scanning-beam proton plan(s) were analyzed. To account for the dose under uncertainties, we performed a comprehensive simulation in which the dose was recalculated 600 times per given plan under the influence of random and systematic setup errors and proton range errors. On the basis of simulation results, we determined the probability of dose variations and calculated the expected values and standard deviations of dose–volume histograms. The uncertainties in dose were spatially visualized on the planning CT as a probability map of failure to target coverage or overdose of critical structures. Results: The expected value of target coverage under the uncertainties was consistently lower than that of the nominal value determined from the clinical target volume coverage without setup error or range uncertainty, with a mean difference of −1.1% (−0.9% for breath-hold), −0.3%, and −2.2% for lung, prostate, and a brain cases, respectively. The organs with most sensitive dose under uncertainties were esophagus and spinal cord for lung, rectum for prostate, and brain stem for brain cancer. Conclusions: A clinically feasible robustness plan analysis tool based on direct dose calculation and statistical simulation has been developed. Both the expectation value and standard deviation are useful to evaluate the impact of uncertainties. The existing proton beam planning method used in this institution seems to be adequate in terms of target coverage. However, structures that are small in volume or located near the target area showed greater sensitivity to uncertainties.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRS2000

An Adaptive Buddy Check for Observational Quality Control

An adaptive buddy check algorithm is presented that adjusts tolerances for outlier observations based on the variability of surrounding data. The algorithm derives from a statistical hypothesis test combined with maximum-likelihood covariance estimation. Its stability is shown to depend on the initial identification of outliers by a simple background check. The adaptive feature ensures that the final quality control decisions are not very sensitive to prescribed statistics of first-guess and observation errors, nor on other approximations introduced into the algorithm. The implementation of the algorithm in a global atmospheric data assimilation is described. Its performance is contrasted with that of a non-adaptive buddy check, for the surface analysis of an extreme storm that took place in Europe on 27 December 1999. The adaptive algorithm allowed the inclusion of many important observations that differed greatly from the first guess and that would have been excluded on the basis of prescribed statistics. The analysis of the storm development was much improved as a result of these additional observations.

Dee, Dick P.↗

NASA NTRS1992

A monitor for the laboratory evaluation of control integrity in digital control systems operating in harsh electromagnetic environments

This paper presents a strategy for dynamically monitoring digital controllers in the laboratory for susceptibility to electromagnetic disturbances that compromise control integrity. The integrity of digital control systems operating in harsh electromagnetic environments can be compromised by upsets caused by induced transient electrical signals. Digital system upset is a functional error mode that involves no component damage, can occur simultaneously in all channels of a redundant control computer, and is software dependent. The motivation for this work is the need to develop tools and techniques that can be used in the laboratory to validate and/or certify critical aircraft controllers operating in electromagnetically adverse environments that result from lightning, high-intensity radiated fields (HIRF), and nuclear electromagnetic pulses (NEMP). The detection strategy presented in this paper provides dynamic monitoring of a given control computer for degraded functional integrity resulting from redundancy management errors, control calculation errors, and control correctness/effectiveness errors. In particular, this paper discusses the use of Kalman filtering, data fusion, and statistical decision theory in monitoring a given digital controller for control calculation errors.

Belcastro, Celeste M.↗

NASA NTRS1982

Investigation of geomagnetic field forecasting and fluid dynamics of the core

It was established that the total absolute magnetic flux crossing the core- mantle boundary has been a constant of the core motion for the last 50 years. This provides a scalar constraint that could be added to the geometric modelling procedure. The GSFC 8 8/80 model is being evaluated. The absolute magnetic flux linking the CMB to that model was plotted as a function of time during the span covered by the data, and increasing truncation level. The inclusion of the standard error of each Gauss coefficient derived from the statistics of fit in the GSFC 9/80 model is useful. The magnitude and sense (upwelling or downe welling) of vertical fluid motion adjacent to the core-mantle boundary was calculated using the model. Standard errors were found to be sufficiently small at all but one or two of the 40 or more critical points of B sub r. They do not nearly overlap the value gamma u/gamma r = 0. It is concluded that the core is upwelling and downwelling at an observationally detectable level.

Benton, E. R.↗

NASA NTRS1987

Radial orbit error reduction and sea surface topography determination using satellite altimetry

A method is presented in satellite altimetry that attempts to simultaneously determine the geoid and sea surface topography with minimum wavelengths of about 500 km and to reduce the radial orbit error caused by geopotential errors. The modeling of the radial orbit error is made using the linearized Lagrangian perturbation theory. Secular and second order effects are also included. After a rather extensive validation of the linearized equations, alternative expressions of the radial orbit error are derived. Numerical estimates for the radial orbit error and geoid undulation error are computed using the differences of two geopotential models as potential coefficient errors, for a SEASAT orbit. To provide statistical estimates of the radial distances and the geoid, a covariance propagation is made based on the full geopotential covariance. Accuracy estimates for the SEASAT orbits are given which agree quite well with already published results. Observation equations are develped using sea surface heights and crossover discrepancies as observables. A minimum variance solution with prior information provides estimates of parameters representing the sea surface topography and corrections to the gravity field that is used for the orbit generation. The simulation results show that the method can be used to effectively reduce the radial orbit error and recover the sea surface topography.

Engelis, Theodossios↗

DOE OSTI2021

Stopping criteria for ending autonomous, single detector radiological source searches

While the localization of radiological sources has traditionally been handled with statistical algorithms, such a task can be augmented with advanced machine learning methodologies. The combination of deep and reinforcement learning has provided learning-based navigation to autonomous, single-detector, mobile systems. However, these approaches lacked the capacity to terminate a surveying/search task without outside influence of an operator or perfect knowledge of source location (defeating the purpose of such a system). Two stopping criteria are investigated in this work for a machine learning navigated system: one based upon Bayesian and maximum likelihood estimation (MLE) strategies commonly used in source localization, and a second providing the navigational machine learning network with a “stop search” action. A convolutional neural network was trained via reinforcement learning in a 10 m × 10 m simulated environment to navigate a randomly placed detector-agent to a randomly placed source of varied strength (stopping with perfect knowledge during training). The network agent could move in one of four directions (up, down, left, right) after taking a 1 s count measurement at the current location. During testing, the stopping criteria for this navigational algorithm was based upon a Bayesian likelihood estimation technique of source presence, updating this likelihood after each step, and terminating once the confidence of the source being in a single location exceeded 0.9. A second network was trained and tested with similar architecture as the previous but which contained a fifth action: for self-stopping. The accuracy and speed of localization with set detector and source initializations were compared over 50 trials of MLE-Bayesian approach and 1000 trials of the CNN with self-stopping. The statistical stopping condition yielded a median localization error of ~1.41 m and median localization speed of 12 steps. The machine learning stopping condition yielded a median localization error of 0 m and median localization speed of 17 steps. This work demonstrated two stopping criteria available to a machine learning guided, source localization system.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS2007

Detection of Digital Elevation Model Errors Using X-band Weather Radar

Flight in Instrument Meteorological Conditions requires pilots to manipulate flight controls while referring to a Primary Flight Display. The Primary Flight Display indicates aircraft attitude along with, in some cases, many other state variables such as altitude, speed, and guidance cues. Synthetic Vision Systems have been proposed that overlay the traditional information provided on Primary Flight Displays onto a scene depicting the location of terrain and other geo-spatial features.Terrain models used by these displays must have sufficient quality to avoid providing misleading information. This paper describes how X-band radar measurements can be used as part of a monitor, and/or maintenance system, to quantify the integrity of terrain models that are used by systems such as Synthetic Vision. Terrain shadowing effects, as seen by the radar, are compared in a statistical manner against estimated shadow feature elements extracted from the stored terrain model from the perspective of the airborne observer. A test statistic is defined that enables detection of errors as small as the range resolution of the radar. Experimental results obtained from two aircraft platforms hosting certified commercial-off-the-shelf X-band radars test the premise and illustrate its potential.

Young, Steven D.↗

DOE OSTI2013

Instrumental temperature series in eastern and central China back to the nineteenth century

In this study, we bring together different source data sets and use quality control, interpolation, and homogeneity methods to construct a set of homogenized monthly mean surface air temperature (SAT) series for 18 stations in eastern and central China from the late nineteenth century. Missing values are statistically interpolated, and cross validation is used to assess the accuracy of the interpolation approaches. Results show that the errors of interpolation are small, and the interpolated values are statistically acceptable. Multiple homogeneity methods and all available metadata are used to assess the consistency of the time series and then to develop adjustments when necessary. Thirty-three homogeneity breakpoints are detected in the 18 stations, and the time series is adjusted to the latest segment of the data series. The adjusted annual mean SAT generally shows a range of trends of 1.0° to 4.2°C/100 years in northeastern and southeastern China and a range of trends of -0.3° to 1.0°C/100 years in central China near 30°N. Compared to the adjusted time series, the unadjusted time series underestimates the warming trend during the past 100 years. The regional and annual mean SAT over eastern and central China agrees well with estimates from a much denser station network over this region of China since 1951 and shows a warming trend of 1.52°C/100 years during 1909–2010.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Bayesian investigation of isochrone consistency using the old open cluster NGC 188

This paper provides a detailed comparison of the differences in parameters derived for a star cluster from its color–magnitude diagrams (CMDs) depending on the filters and models used. We examine the consistency and reliability of fitting three widely used stellar evolution models to 15 combinations of optical and near-IR photometry for the old open cluster NGC 188. The optical filter response curves match those of theoretical systems and are thus not the source of fit inconsistencies. NGC 188 is ideally suited to this study thanks to a wide variety of high-quality photometry and available proper motions and radial velocities that enable us to remove non-cluster members and many binaries. Our Bayesian fitting technique yields inferred values of age, metallicity, distance modulus, and absorption as a function of the photometric band combinations and stellar models. We show that the historically favored three-band combinations of UBV and VRI can be meaningfully inconsistent with each other and with longer baseline data sets such as UBVRIJHK{sub S}. Differences among model sets can also be substantial. For instance, fitting Yi et al. (2001) and Dotter et al. (2008) models to UBVRIJHK{sub S} photometry for NGC 188 yields the following cluster parameters: age = (5.78 ± 0.03, 6.45 ± 0.04) Gyr, [Fe/H] = (+0.125 ± 0.003, −0.077 ± 0.003) dex, (m−M){sub V} = (11.441 ± 0.007, 11.525 ± 0.005) mag, and A{sub V} = (0.162 ± 0.003, 0.236 ± 0.003) mag, respectively. Within the formal fitting errors, these two fits are substantially and statistically different. Such differences among fits using different filters and models are a cautionary tale regarding our current ability to fit star cluster CMDs. Additional modeling of this kind, with more models and star clusters, and future Gaia parallaxes are critical for isolating and quantifying the most relevant uncertainties in stellar evolutionary models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Generalization error guaranteed auto-encoder-based nonlinear model reduction for operator learning

Many physical processes in science and engineering are naturally represented by operators between infinite-dimensional function spaces. The problem of operator learning, in this context, seeks to extract these physical processes from empirical data, which is challenging due to the infinite or high dimensionality of data. An integral component in addressing this challenge is model reduction, which reduces both the data dimensionality and problem size. In this paper, we utilize low-dimensional nonlinear structures in model reduction by investigating Auto-Encoder-based Neural Network (AENet). AENet first learns the latent variables of the input data and then learns the transformation from these latent variables to corresponding output data. Our numerical experiments validate the ability of AENet to accurately learn the solution operator of nonlinear partial differential equations. Furthermore, we establish a mathematical and statistical estimation theory that analyzes the generalization error of AENet. Finally, our theoretical framework shows that the sample complexity of training AENet is intricately tied to the intrinsic dimension of the modeled process, while also demonstrating the robustness of AENet to noise.

Auto-encoder↗

DOE OSTI2019

Inhomogeneous structural evolution of silver-containing Alpha-MnO2 nanorods in sodium-ion batteries investigated by comparative transmission electron microscopy approach

Alpha-MnO 2 is an attractive cathode candidate for sodium-ion batteries attributed to its unique one-dimensional 2×2 tunnels for facile sodium-ion diffusion, in addition to its incomparable cost advantage. In particular, α-MnO2 shows superior rate capability with silver stabilizing ions at the center of tunnels that improve electrical conductivity. In this work, we directly compare structural transformation of silver-containing α-MnO 2 nanorods (Ag 1.22 Mn 8 O 16-x or L-Ag-HOL and Ag 1.66 Mn 8 O 16-y or H–Ag-HOL), containing higher and lower concentrations of oxygen vacancies respectively, by transmission electron microscopy (TEM). The elaborate comparative and statistical TEM studies eliminate concerns regarding generalization errors and facilitate rational structural development of nanorods with improved functionality. It is found that sodium ions favorably diffuse through the area where oxygen vacancies are concentrated, and the samples with more silver ions and fewer oxygen vacancies (H–Ag-HOL) show more significant structural deformation with more inhomogeneous sodiation. The difference in functional electrochemistry coupled with the observed difference in inter- and intra-nanorod inhomogeneous structural evolution emphasizes the significance of the uniform electrical conductivity of the electrode. This work helps to improve the α-MnO 2 electrode material for sodium-ion batteries as well as suggesting the importance of delicate statistical approaches for TEM investigations.

25 ENERGY STORAGE↗

DOE OSTI2020

Capturing non-Gaussianity of the large-scale structure with weighted skew-spectra

The forthcoming generation of wide-field galaxy surveys will probe larger volumes and galaxy densities, thus allowing for a much larger signal-to-noise ratio for higher-order clustering statistics, in particular the galaxy bispectrum. Extracting this information, however, is more challenging than using the power spectrum due to more complex theoretical modeling, as well as significant computational cost of evaluating the bispectrum signal and the error budget. To overcome these challenges, several proxy statistics have been proposed in the literature, which partially or fully capture the information in the bispectrum, while being computationally less expensive than the bispectrum. One such statistics are weighted skew-spectra, which are cross-spectra of the density field and appropriately weighted quadratic fields. Using Fisher forecasts, we show that the information in these skew-spectra is equivalent to that in the bispectrum for parameters that appear as amplitudes in the bispectrum model, such as galaxy bias parameters or the amplitude of primordial non-Gaussianity. We consider three shapes of the primordial bispectrum: local, equilateral and that due to massive particles with spin two during inflation. In conclusion, to obtain constraints that match those from a measurement of the full bispectrum, we find that it is crucial to account for the full covariance matrix of the skew-spectra.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1971

Cloud-free resolution element statistics program

Computer program computes number of cloud-free elements in field-of-view and percentage of total field-of-view occupied by clouds. Human error is eliminated by using visual estimation to compute cloud statistics from aerial photographs.

Liley, B.↗

NASA NTRS1998

Efficient Methods to Assimilate Satellite Retrievals Based on Information Content: Suboptimal Retrieval Assimilation - Part 2

One of the outstanding problems in data assimilation has been and continues to be how best to utilize satellite data while balancing the tradeoff between accuracy and computational cost. A number of weather prediction centers have recently achieved remarkable success in improving their forecast skill by changing the method by which satellite data are assimilated into the forecast model from the traditional approach of assimilating retrievals to the direct assimilation of radiances in a variational framework. The operational implementation of such a substantial change in methodology involves a great number of technical details, e.g., pertaining to quality control procedures, systematic error correction techniques, and tuning of the statistical parameters in the analysis algorithm. Although there are clear theoretical advantages to the direct radiance assimilation approach, it is not obvious at all to what extent the improvements that have been obtained so far can be attributed to the change in methodology, or to various technical aspects of the implementation. The issue is of interest because retrieval assimilation retains many practical and logistical advantages which may become even more significant in the near future when increasingly high-volume data sources become available. The central question we address here is: how much improvement can we expect from assimilating radiances rather than retrievals, all other things being equal? We compare the two approaches in a simplified one-dimensional theoretical framework, in which problems related to quality control and systematic error correction are conveniently absent. By assuming a perfect radiative transfer model and perfect knowledge of radiance and background error covariances, we are able to formulate a nonlinear local error analysis for each assimilation method. Direct radiance assimilation is optimal in this idealized context, while the traditional method of assimilating retrievals is suboptimal because it ignores the cross-covariances between background errors and retrieval errors. We show that interactive retrieval assimilation (where the same background used for assimilation is also used in the retrieval step) is equivalent to direct assimilation of radiances with suboptimal analysis weights. We illustrate and extend these theoretical arguments with several one-dimensional assimilation experiments, where we estimate vertical atmospheric profiles using simulated data from both the High-resolution InfraRed Sounder 2 (HIRS2) and the future Atmospheric InfraRed Sounder (AIRS).

Joiner, J.↗