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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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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Statistical Properties of Maximum Likelihood Estimators of Power Law Spectra Information

A simple power law model consisting of a single spectral index, sigma(sub 2), is believed to be an adequate description of the galactic cosmic-ray (GCR) proton flux at energies below 10(exp 13) eV, with a transition at the knee energy, E(sub k), to a steeper spectral index sigma(sub 2) greater than sigma(sub 1) above E(sub k). The maximum likelihood (ML) procedure was developed for estimating the single parameter sigma(sub 1) of a simple power law energy spectrum and generalized to estimate the three spectral parameters of the broken power law energy spectrum from simulated detector responses and real cosmic-ray data. The statistical properties of the ML estimator were investigated and shown to have the three desirable properties: (Pl) consistency (asymptotically unbiased), (P2) efficiency (asymptotically attains the Cramer-Rao minimum variance bound), and (P3) asymptotically normally distributed, under a wide range of potential detector response functions. Attainment of these properties necessarily implies that the ML estimation procedure provides the best unbiased estimator possible. While simulation studies can easily determine if a given estimation procedure provides an unbiased estimate of the spectra information, and whether or not the estimator is approximately normally distributed, attainment of the Cramer-Rao bound (CRB) can only be ascertained by calculating the CRB for an assumed energy spectrum- detector response function combination, which can be quite formidable in practice. However, the effort in calculating the CRB is very worthwhile because it provides the necessary means to compare the efficiency of competing estimation techniques and, furthermore, provides a stopping rule in the search for the best unbiased estimator. Consequently, the CRB for both the simple and broken power law energy spectra are derived herein and the conditions under which they are stained in practice are investigated.

Howell, L. W., Jr.↗
NASA NTRS1976

On Schmidt's Vm estimator and other estimators of luminosity functions

Schmidt's (1968) estimator, sometimes used to calculate the luminosity function from a complete sample of observed objects, can be generalized naively to the case in which the maximum distance for detection is a function of the direction. Though unbiased, this estimator then does not have minimum variance and, in some cases, is inferior to the classical estimator. The classical estimator, however, is biased when the magnitude boxes are not infinitesimal. A generalization of Schmidt's estimator is proposed which is unbiased and usually superior to both Schmidt's and the classical estimator. Variance formulas and numerical examples are given. The results can be used in combining several catalogs.

Felten, J. E.↗
NASA NTRS2011

Optimal Asteroid Mass Determination from Planetary Range Observations: A Study of a Simplified Test Model

Mars ranging observations are available over the past 10 years with an accuracy of a few meters. Such precise measurements of the Earth-Mars distance provide valuable constraints on the masses of the asteroids perturbing both planets. Today more than 30 asteroid masses have thus been estimated from planetary ranging data (see [1] and [2]). Obtaining unbiased mass estimations is nevertheless difficult. Various systematic errors can be introduced by imperfect reduction of spacecraft tracking observations to planetary ranging data. The large number of asteroids and the limited a priori knowledge of their masses is also an obstacle for parameter selection. Fitting in a model a mass of a negligible perturber, or on the contrary omitting a significant perturber, will induce important bias in determined asteroid masses. In this communication, we investigate a simplified version of the mass determination problem. Instead of planetary ranging observations from spacecraft or radar data, we consider synthetic ranging observations generated with the INPOP [2] ephemeris for a test model containing ~25000 asteroids. We then suggest a method for optimal parameter selection and estimation in this simplified framework.

asteroids↗
DOE OSTI2020

A light weight regularization for wave function parameter gradients in quantum Monte Carlo

The parameter derivative of the expectation value of the energy, ∂E/∂p, is a key ingredient in variational Monte Carlo (VMC) wave function optimization methods. In some cases, a naïve estimate of this derivative suffers from an infinite variance, which inhibits the efficiency of optimization methods that rely on a stable estimate of the derivative. In this work, we derive a simple regularization of the naïve estimator, which is trivial to implement in existing VMC codes, has finite variance, and a negligible bias, which can be extrapolated to zero bias with no extra cost. We use this estimator to construct an unbiased, finite variance estimation of ∂E/∂p for a multi-Slater–Jastrow trial wave function on the LiH molecule and in the optimization of a multi-Slater–Jastrow trial wave function on the CuO molecule. This regularized estimator is a simple and efficient estimator of ∂E/∂p for VMC optimization techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Conditional H I Mass Functions and the H I -to-halo Mass Relation in the Local Universe

We present a new H I mass estimator that relates log 10 (M HI /M * ) to a linear combination of four galaxy properties: stellar surface mass density, color index u - r, stellar mass, and concentration index, with the scatter of individual galaxies around the mean H I mass modeled with a Gaussian distribution function. We calibrate the estimator using the xGASS sample, including both H I detection and nondetection, and constrain the model parameters through Bayesian inferences. Tests with mock catalogs demonstrate that our estimator provides unbiased H I masses for optical samples like SDSS. We apply our estimator to the SDSS spectroscopic sample to estimate the H I mass function (HIMF) of local galaxies, as well as the conditional H I mass function in galaxy groups and the H I –halo mass relation. Our HIMF agrees with the ALFALFA measurements at M HI ≳ 5 × 10 9 M ⊙ , but with higher amplitude and a steeper slope at lower masses. We show that this discrepancy is caused primarily by the cosmic variance, which is corrected for the SDSS sample but not for ALFALFA. The total CHIMFs for all halo masses can be described by a single Schechter function, while those of central galaxies show a double-Gaussian profile. The total H I mass in a group increases monotonically with halo mass, but for central galaxies, the H I mass shows weak dependence on halo mass when M h ≳ 10 12 M ⊙ . The observed H I –halo mass relation is not reproduced by current hydrodynamic simulations and semianalytic models of galaxy formation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

In-flight estimation of spacecraft attitude sensor accuracies and alignments

A simple estimator is developed for determining in flight the accuracies of vector attitude sensors. The estimator is unbiased and independent of the configuration of the sensors. In addition, the estimator requires neither an a priori estimate of sensor accuracies nor an estimate of the spacecraft attitude. A covariance analysis of the estimator is given. Data from the Magsat mission is analyzed as a example. A simple algorithm for estimating attitude sensor misalignments, which is independent of any knowledge of the spacecraft attitude, is also presented. This misalignment estimator is applied to in-flight data from the Solar Maximum Mission.

Schuster, M. D.↗
DOE OSTI2024

A variance deconvolution estimator for efficient uncertainty quantification in Monte Carlo radiation transport applications

Monte Carlo simulations are at the heart of many high-fidelity simulations and analyses for radiation transport systems. As is the case with any complex computational model, it is important to propagate sources of input uncertainty and characterize how they affect model output. Unfortunately, uncertainty quantification (UQ) is made difficult by the stochastic variability that Monte Carlo transport solvers introduce. The standard method to avoid corrupting the UQ statistics with the transport solver noise is to increase the number of particle histories, resulting in very high computational costs. In this contribution, we propose and analyze a sampling estimator based on the law of total variance to compute UQ variance even in the presence of residual noise from Monte Carlo transport calculations. Here, we rigorously derive the statistical properties of the new variance estimator, compare its performance to that of the standard method, and demonstrate its use on neutral particle transport model problems involving both attenuation and scattering physics. We illustrate, both analytically and numerically, the estimator’s statistical performance as a function of available computational budget and the distribution of that budget between UQ samples and particle histories. We show analytically and corroborate numerically that the new estimator is unbiased, unlike the standard approach, and is more accurate and precise than the standard estimator for the same computational budget.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2019

A Global Assessment of Added Value in the SMAP Level-4 Soil Moisture Product Relative to Its Baseline Land Surface Model

The Soil Moisture Active Passive (SMAP) Level-4 product provides enhanced soil moisture estimates by assimilating SMAP brightness temperature observations into a land surface model. Here, an unbiased qualitative estimate of the relative skill of SMAP Level-4 and model-only surface soil moisture (versus true soil moisture) is derived using only one additional noisy (but independent) soil moisture product. The method is applied globally and verified using high-quality, ground-based measurements where available. Results demonstrate that assimilating SMAP brightness temperature has relatively little impact in data-rich areas like the United States and Europe. In contrast, much larger improvement is observed in data-sparse regions, including much of Africa and central Australia, where model-only simulations are disproportionately impacted by low-quality model forcing. Therefore, ground validation conducted in data-rich areas does not adequately sample the added value of SMAP data assimilation for data-sparse regions and substantially underestimates the added skill provided by the SMAP Level-4 system.

SMAP L4↗
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↗
NASA NTRS1979

Identification and area estimation of agricultural crops by computer classification of Landsat MSS data

Landsat Multispectral Scanner (MSS) data covering a three-county area in northern Illinois were classified using computer-aided techniques as corn, soybeans, or 'other.' Recognition of test fields was 80% accurate. County estimates of the area of corn and soybeans agreed closely with those made by the USDA. Results of the use of a priori information in classification, techniques to produce unbiased area estimates, and the use of temporal and spatial features for classification are discussed. The extendability, variability, and size of training sets, wavelength band selection, and spectral characteristics of crops were also investigated.

Bauer, M. E.↗
DOE OSTI2021

Rare Event Sampling Improves Mercury Instability Statistics

Due to the chaotic nature of planetary dynamics, there is a non-zero probability that Mercury's orbit will become unstable in the future. Previous efforts have estimated the probability of this happening between 3 and 5 billion years in the future using a large number of direct numerical simulations with an N-body code, but were not able to obtain accurate estimates before 3 billion years in the future because Mercury instability events are too rare. In this paper we use a new rare-event sampling technique, Quantile Diffusion Monte Carlo (QDMC), to estimate that the probability of a Mercury instability event in the next 2 billion years is approximately 10 –4 in the REBOUND N-body code. We show that QDMC provides unbiased probability estimates at a computational cost of up to 100 times less than direct numerical simulation. QDMC is easy to implement and could be applied to many problems in planetary dynamics in which it is necessary to estimate the probability of a rare event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A comparison of cost and quality of three methods for estimating density for wild pig (Sus scrofa)

A critical element in efective wildlife management is monitoring the status of wildlife populations; however, resources to monitor wildlife populations are typically limited. We compared cost efectiveness of three common population estimation methods (i.e. non-invasive DNA sampling, camera sampling, and sampling from trapping) by applying them to wild pigs (Sus scrofa) across three habitats in South Carolina, U.S.A where they are invasive. We used mark-recapture analyses for fecal DNA sampling data, spatially-explicit capture-recapture analyses for camera sampling data, and a removal analysis for removal sampling from trap data. Density estimates were similar across methods. Camera sampling was the least expensive, but had large variances. Fecal DNA sampling was the most expensive, although this technique generally performed well. We examined how reductions in efort by method related to increases in relative bias or imprecision. For removal sampling, the largest cost savings while maintaining unbiased density estimates was from reducing the number of traps. For fecal DNA sampling, a reduction in efort only minimally reduced costs due to the need for increased lab replicates while maintaining high quality estimates. For camera sampling, efort could only be marginally reduced before inducing bias. We provide a decision tree for researchers to help make monitoring decisions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Assimilation of SMAP Brightness Temperature Observations in the GEOS Land–Atmosphere Data Assimilation System

Errors in soil moisture adversely impact the modeling of land–atmosphere water and energy fluxes and, consequently, near-surface atmospheric conditions in atmospheric data assimilation systems (ADAS). To mitigate such errors, a land surface analysis is included in many such systems, although not yet in the currently operational NASA Goddard Earth Observing System (GEOS) ADAS. This article investigates the assimilation of L-band brightness temperature (Tb) observations from the Soil Moisture Active Passive (SMAP) mission in the GEOS weakly coupled land–atmosphere data assimilation system (LADAS) during boreal summer 2017. The SMAP Tb analysis improves the correlation of LADAS surface and root-zone soil moisture versus in situ measurements by ∼0.1–0.26 over that of ADAS estimates; the unbiased root-mean-square error of LADAS soil moisture is reduced by 0.002–0.008 m^3 /m^3 from that of ADAS. Furthermore, the global land average RMSE versus in situ measurements of screen-level air specific humidity (q2m) and daily maximum temperature (T2m_max ) is reduced by 0.05 g/kg and 0.04 K, respectively, for LADAS compared to ADAS estimates. Regionally, the RMSE of LADAS q2m and T2m_max is improved by up to 0.4 g/kg and 0.3 K, respectively. Improvement in LADAS specific humidity extends into the lower troposphere (below ∼700 mb), with relative improvements in bias of 15–25%, although LADAS air temperature bias slightly increases relative to that of ADAS. Finally, the root mean square of the LADAS Tb observation-minus-forecast residuals is smaller by up to ∼0.1 K than in a land-only assimilation system, corroborating the positive impact of the Tb analysis on the modeled land–atmosphere coupling.

microwave remote sensing↗
NASA NTRS1984

A robust pseudo-inverse spectral filter applied to the Earth Radiation Budget Experiment (ERBE) scanning channels

Computer simulations of a least squares estimator operating on the ERBE scanning channels are discussed. The estimator is designed to minimize the errors produced by nonideal spectral response to spectrally varying and uncertain radiant input. The three ERBE scanning channels cover a shortwave band a longwave band and a ""total'' band from which the pseudo inverse spectral filter estimates the radiance components in the shortwave band and a longwave band. The radiance estimator draws on instantaneous field of view (IFOV) scene type information supplied by another algorithm of the ERBE software, and on a priori probabilistic models of the responses of the scanning channels to the IFOV scene types for given Sun scene spacecraft geometry. It is found that the pseudoinverse spectral filter is stable, tolerant of errors in scene identification and in channel response modeling, and, in the absence of such errors, yields minimum variance and essentially unbiased radiance estimates.

Avis, L. M.↗
DOE OSTI2020

Application of Generalized Standard Addition Method and Ultraviolet Spectroscopy to Quantify Electrolytic Depolymerization of Lignin

Industrial lignin waste is an important byproduct of bio-refineries and the paper industry. Depolymerization of this industrial lignin could generate useful aromatic compounds. This group has focused on electrolytic decomposition of biorefinery lignin. To quantify electrolytic decomposition of the lignin in a highly caustic solution, ultraviolet (UV) spectroscopy provides a useful probe. The conversion of the neat lignin to the oxidized products achieved by the electrolytic reactor may be measured by quantifying the amount of unreacted neat lignin that remains in the effluent. Because the properties of electrolytic decomposition products are largely unknown, a useful approach to quantify decomposition of the neat lignin is to use a multivariate calibration method referred to as the generalized standard addition method (GSAM). In this approach, the electrolytic decomposition products represent a background interference and the neat lignin that remains can be quantified. Furthermore, this approach allows the conversion of the neat lignin to be calculated in a solution that is a complex mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Convergence of variational Monte Carlo simulation and scale-invariant pre-training

We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem. Here, we study both the energy minimization phase and the supervised pre-training phase that is commonly used prior to energy minimization. For the energy minimization phase, the standard algorithm is scale-invariant by design, and we provide a proof of convergence for this algorithm without modifications. The pre-training stage typically does not feature such scale-invariance. We propose using a scale-invariant loss for the pretraining phase and demonstrate empirically that it leads to faster pre-training.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events

Computing accurate reaction rates is a central challenge in computational chemistry and biology because of the high cost of free energy estimation with unbiased molecular dynamics. In this work, a data-driven machine learning algorithm is devised to learn collective variables with a multitask neural network, where a common upstream part reduces the high dimensionality of atomic configurations to a low dimensional latent space and separate downstream parts map the latent space to predictions of basin class labels and potential energies. Here, the resulting latent space is shown to be an effective low-dimensional representation, capturing the reaction progress and guiding effective umbrella sampling to obtain accurate free energy landscapes. This approach is successfully applied to model systems including a 5D Müller Brown model, a 5D three-well model, the alanine dipeptide in vacuum, and an Au(110) surface reconstruction unit reaction. It enables automated dimensionality reduction for energy controlled reactions in complex systems, offers a unified and data-efficient framework that can be trained with limited data, and outperforms single-task learning approaches, including autoencoders.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

First cosmology results using type Ia supernovae from the Dark Energy Survey: the effect of host galaxy properties on supernova luminosity

ABSTRACT We present improved photometric measurements for the host galaxies of 206 spectroscopically confirmed type Ia supernovae discovered by the Dark Energy Survey Supernova Program (DES-SN) and used in the first DES-SN cosmological analysis. For the DES-SN sample, when considering a 5D (z, x1, c, α, β) bias correction, we find evidence of a Hubble residual ‘mass step’, where SNe Ia in high-mass galaxies (>1010M⊙) are intrinsically more luminous (after correction) than their low-mass counterparts by $\gamma =0.040\pm 0.019$ mag. This value is larger by 0.031 mag than the value found in the first DES-SN cosmological analysis. This difference is due to a combination of updated photometric measurements and improved star formation histories and is not from host-galaxy misidentification. When using a 1D (redshift-only) bias correction the inferred mass step is larger, with $\gamma =0.066\pm 0.020$ mag. The 1D−5D γ difference for DES-SN is $0.026\pm 0.009$ mag. We show that this difference is due to a strong correlation between host galaxy stellar mass and the x1 component of the 5D distance-bias correction. Including an intrinsic correlation between the observed properties of SNe Ia, stretch and colour, and stellar mass in simulated SN Ia samples, we show that a 5D fit recovers γ with −9 mmag bias compared to a +2 mmag bias for a 1D fit. This difference can explain part of the discrepancy seen in the data. Improvements in modelling correlations between galaxy properties and SN is necessary to ensure unbiased precision estimates of the dark energy equation of state as we enter the era of LSST.

79 ASTRONOMY AND ASTROPHYSICS↗