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NASA NTRS2019

Regularization and Error Characterization of GRACE Mascons

We present a new global time-variable gravity mascon solution derived from Gravity Recovery and Climate Experiment (GRACE) Level 1B data. The new product from the NASA Goddard Space Flight Center (GSFC) results from a novel approach that combines an iterative solution strategy with geographical binning of inter-satellite range-acceleration residuals in the construction of time-dependent regularization matrices applied in the inversion of mascon parameters. This estimation strategy is intentionally conservative as it seeks to maximize the role of the GRACE measurements on the final solution while minimizing the influence of the regularization design process. We fully reprocess the Level 1B data in the presence of the final mascon solution to generate true post-fit inter-satellite residuals, which are utilized to confirm solution convergence and to validate the mascon noise uncertainties. We also present the mathematical case that regularized mascon solutions are biased, and that this bias, or leakage, must be combined with the estimated noise variance to accurately assess total mascon uncertainties. The estimated leakage errors are determined from the monthly resolution operators. We present a simple approach to compute the total uncertainty for both individual mascon and regional analysis of the GSFC mascon product, and validate the results in comparison with independent mascon solutions and calibrated Stokes uncertainties. Lastly, we present the new solution and uncertainties with global analyses of the mass trends and annual amplitudes, and compute updated trends for the global ocean, and the respective contributions of the Greenland Ice Sheet, Antarctic Ice Sheet, Gulf of Alaska, and terrestrial water storage. This analysis highlights the successful closure of the global mean sea level budget, that is, the sum of global ocean mass from the GSFC mascons and the steric component from Argo floats agrees well with the total determined from sea surface altimetry.

B. D. Loomis↗

NASA NTRS2019

Regularization and Error Characterization of GRACE Mascons

Loomis, B. D.↗

NASA NTRS1994

Earth orientation parameters

Since the beginning of regular space geodetic measurements, Satellite Laser Ranging (SLR) has routinely provided polar motion and length of day solutions. At the present time, Global Positioning Systems (GPS) regularly produces daily polar motion solutions with 0.4 mas accuracy, equivalent to the routine 1-day VLBI experiments and SLR solutions using 3 days of Lageos-1 data. This rapid progress of the GPS technique forces a review of any resource allocations for VLBI and SLR measurements of Earth orientation.

Eanes, Richard J.↗

DOE OSTI2022

DIAS: A Data-Informed Active Subspace Regularization Framework for Inverse Problems

This paper presents a regularization framework that aims to improve the fidelity of Tikhonov inverse solutions. At the heart of the framework is the data-informed regularization idea that only data-uninformed parameters need to be regularized, while the data-informed parameters, on which data and forward model are integrated, should remain untouched. We propose to employ the active subspace method to determine the data-informativeness of a parameter. The resulting framework is thus called a data-informed (DI) active subspace (DIAS) regularization. Four proposed DIAS variants are rigorously analyzed, shown to be robust with the regularization parameter and capable of avoiding polluting solution features informed by the data. They are thus well suited for problems with small or reasonably small noise corruptions in the data. Furthermore, the DIAS approaches can effectively reuse any Tikhonov regularization codes/libraries. Though they are readily applicable for nonlinear inverse problems, we focus on linear problems in this paper in order to gain insights into the framework. Various numerical results for linear inverse problems are presented to verify theoretical findings and to demonstrate advantages of the DIAS framework over the Tikhonov, truncated SVD, and the TSVD-based DI approaches.

Nguyen, Hai↗

NASA NTRS1972

Shear free, twisting Einstein-Maxwell metrics in the Newman-Penrose formalism

The problem of finding algebraically special solutions to the vacuum Einstein-Maxwell equations was investigated using a spin coefficient formalism. The general case in which the degenerate null vectors are not hypersurface orthogonal is reduced to a problem of solving five coupled differential equations that are no longer dependent on the affine parameter along the degenerate null directions. It is shown that the most general regular, shear-free, nonradiating solution to these equations is the Kerr-Newman metric.

Lind, R. W.↗

NASA NTRS1992

A regularization method for extrapolation of solar potential magnetic fields

The mathematical basis of a Tikhonov regularization method for extrapolating the chromospheric-coronal magnetic field using photospheric vector magnetograms is discussed. The basic techniques show that the Cauchy initial value problem can be formulated for potential magnetic fields. The potential field analysis considers a set of linear, elliptic partial differential equations. It is found that, by introducing an appropriate smoothing of the initial data of the Cauchy potential problem, an approximate Fourier integral solution is found, and an upper bound to the error in the solution is derived. This specific regularization technique, which is a function of magnetograph measurement sensitivities, provides a method to extrapolate the potential magnetic field above an active region into the chromosphere and low corona.

Gary, G. A.↗

DOE OSTI2025

Improved Bayesian regularization of inverse problems in vibrations and acoustics using noise-only measurements

Here, this paper studies Tikhonov regularization (ridge regression) parameter selection for problems in vibrations and acoustics. The selection method is based on a popular Bayesian method, but it incorporates measurements of sensor noise. The regularization parameter is closely related to the ratio of system input energy to noise energy, so noise measurements inform the inference procedure and improve parameter identification. In cases where standard Bayesian regularization identifies zero as the optimal regularization parameter, noise measurements guarantee a unique nonzero optimum. Sufficient theoretical criteria are developed for this guarantee. The method is verified in even-determined and under-determined configurations in an acoustic source localization simulation and a vibration load identification experiment. It is shown to yield significant improvements over existing empirical Bayesian regularization. Improvements are larger in the even-determined case and smaller in the under-determined case, wherein the inverse solution is less sensitive to the regularization parameter.

42 ENGINEERING↗

NASA NTRS1989

Local error estimates for discontinuous solutions of nonlinear hyperbolic equations

Let u(x,t) be the possibly discontinuous entropy solution of a nonlinear scalar conservation law with smooth initial data. Suppose u sub epsilon(x,t) is the solution of an approximate viscosity regularization, where epsilon greater than 0 is the small viscosity amplitude. It is shown that by post-processing the small viscosity approximation u sub epsilon, pointwise values of u and its derivatives can be recovered with an error as close to epsilon as desired. The analysis relies on the adjoint problem of the forward error equation, which in this case amounts to a backward linear transport with discontinuous coefficients. The novelty of this approach is to use a (generalized) E-condition of the forward problem in order to deduce a W(exp 1,infinity) energy estimate for the discontinuous backward transport equation; this, in turn, leads one to an epsilon-uniform estimate on moments of the error u(sub epsilon) - u. This approach does not follow the characteristics and, therefore, applies mutatis mutandis to other approximate solutions such as E-difference schemes.

Tadmor, Eitan↗

NASA NTRS1973

The solubility of hydrogen in rhodium, ruthenium, iridium and nickel.

The temperature variation of the solubility of hydrogen in rhodium, ruthenium, iridium, and nickel in equilibrium with H2 gas at 1 atm pressure has been measured by a technique involving saturating the solvent metal with hydrogen, quenching, and analyzing in resultant solid solutions. The solubilities determined are small (atom fraction of H is in the range from 0.0005 to 0.00001, and the results are consistent with the simple quasi-regular model for dilute interstitial solid solutions. The relative partial enthalpy and excess entropy of the dissolved hydrogen atoms have been calculated from the solubility data and compared with well-known correlations between these quantities.

Mclellan, R. B.↗

DOE OSTI2025

hdsullivan/ResSR

This is the official implementation of ResSR [1]. ResSR is a computationally efficient MSI-SR method that achieves high-quality reconstructions by using a closed-form spectral decomposition along with a spatial residual correction. ResSR applies singular value decomposition to identify correlations across spectral bands, uses pixel-wise computation to upsample the MSI, and then applies a residual correction process to correct the high-spatial frequency components of the upsampled bands. While ResSR is formulated as the solution to a spatially-coupled optimization problem, we use pixel-wise regularization and derive an approximate closed-form solution, resulting in a pixel-wise algorithm with a dramatic reduction in computation that achieves state-of-the-art reconstructions. [1] Duba-Sullivan, H., Reid, E. J., Voisin, S., Bouman, C. A., & Buzzard, G. T. (2024). ResSR: A Computationally Efficient Residual Approach to Super-Resolving Multispectral Images. arXiv preprint arXiv:2408.13225.

Duba-Sullivan, Haley [Oak Ridge National Laborator↗

DOE OSTI2023

Shadow energy functionals and potentials in Born–Oppenheimer molecular dynamics

In Born–Oppenheimer molecular dynamics (BOMD) simulations based on the density functional theory (DFT), the potential energy and the interatomic forces are calculated from an electronic ground state density that is determined by an iterative self-consistent field optimization procedure, which, in practice, never is fully converged. The calculated energies and forces are, therefore, only approximate, which may lead to an unphysical energy drift and instabilities. Here, we discuss an alternative shadow BOMD approach that is based on backward error analysis. Instead of calculating approximate solutions for an underlying exact regular Born–Oppenheimer potential, we do the opposite. Instead, we calculate the exact electron density, energies, and forces, but for an underlying approximate shadow Born–Oppenheimer potential energy surface. In this way, the calculated forces are conservative with respect to the approximate shadow potential and generate accurate molecular trajectories with long-term energy stabilities. We show how such shadow Born–Oppenheimer potentials can be constructed at different levels of accuracy as a function of the integration time step, δt, from the constrained minimization of a sequence of systematically improvable, but approximate, shadow energy density functionals. For each energy functional, there is a corresponding ground state Born–Oppenheimer potential. These pairs of shadow energy functionals and potentials are higher-level generalizations of the original “zeroth-level” shadow energy functionals and potentials used in extended Lagrangian BOMD. The proposed shadow energy functionals and potentials are useful only within this extended dynamical framework, where also the electronic degrees of freedom are propagated as dynamical field variables together with the atomic positions and velocities. The theory is quite general and can be applied to MD simulations using approximate DFT, Hartree–Fock, or semi-empirical methods, as well as to coarse-grained flexible charge models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Penny-shaped crack in a fiber-reinforced matrix

Using a slender inclusion model developed earlier, the elastostatic interaction problem between a penny-shaped crack and elastic fibers in an elastic matrix is formulated. For a single set and for multiple sets of fibers oriented perpendicularly to the plane of the crack and distributed symmetrically on concentric circles, the problem was reduced to a system of singular integral equations. Techniques for the regularization and for the numerical solution of the system are outlined. For various fiber geometries numerical examples are given, and distribution of the stress intensity factor along the crack border was obtained. Sample results showing the distribution of the fiber stress and a measure of the fiber-matrix interface shear are also included.

Narayanan, T. V.↗

NASA NTRS1975

Penny-shaped crack in a fiber-reinforced matrix

Using the slender inclusion model developed earlier the elastostatic interaction problem between a penny-shaped crack and elastic fibers in an elastic matrix is formulated. For a single set and for multiple sets of fibers oriented perpendicularly to the plane of the crack and distributed symmetrically on concentric circles the problem is reduced to a system of singular integral equations. Techniques for the regularization and for the numerical solution of the system are outlined. For various fiber geometries numerical examples are given and distribution of the stress intensity factor along the crack border is obtained. Sample results showing the distribution of the fiber stress and a measure of the fiber-matrix interface shear are also included.

Narayanan, T. V.↗

NASA NTRS1985

Cosmic ray acceleration by stellar wind. Simulation for heliosphere

The solar wind deceleration by the interstellar medium may result in the existence of the solar wind terminal shock. In this case a certain fraction of thermal particles after being heated at the shock would obtain enough energy to be injected to the regular acceleration process. An analytical solution for the spectrum in the frame of a simplified model that includes particle acceleration at the shock front and adiabatic cooling inside the stellar wind cavity has been derived. It is shown that the acceleration of the solar wind particles at the solar wind terminal shock is capable of providing the total flux, spectrum and radial gradients of the low-energy protons close to one observed in the interplanetary space.

Petukhov, S. I.↗

NASA NTRS1995

Reverberation mapping by regularized linear inversion

Reverberation mapping of active galactic nucleus (AGN) emission-line regions requires the numerical deconvolution of two time series. We suggest the application of a new method, regularized linear inversion, to the solution of this problem. This method possesses many good features; it imposes no restrictions on the sign of the response function; it can provide clearly defined uncertainty estimates; it involves no guesswork about unmeasured data; it can give a clear indication of when the underlying convolution model is inadequate; and it is computationally very efficient. Using simulated data, we find the minimum S/N and length of the time series in order for this method to work satisfactorily. We also define guidelines for choosing the principal tunable parameter of the method and for interpreting the results. Finally, we reanalyze published data from the 1989 NGC 5548 campaign using this new method and compare the results to those previously obtained by maximum entropy analysis. For some lines we find good agreement, but for others, especially C III lambda(1909) and Si IV lambda(1400), we find significant differences. These can be attributed to the inability of the maximum entropy method to find negative values of the response function, but also illustrate the nonuniqueness of any deconvolution technique. We also find evidence that certain line light curves (e.g., C IV lambda(1549)) cannot be fully described by the simple linear convolution model.

Krolik, Julian H.↗

DOE OSTI2021

Complement to thermodynamics of dyonic Taub-NUT-AdS spacetime

We examine the thermodynamics of Euclidean dyonic Taub-Nut/Bolt-AdS 4 black holes for a variety of horizon geometries to understand how gauge field regularity conditions influence the thermodynamic relations. We find several distinct features that distinguish the NUT-charged case from its dyonic Reissner-Nordstrom counterpart. For the Nut solution, the gauge field vanishes at the horizon and so regularity is ensured. For the Bolt solution we find that the norm of the gauge field is required to vanish at the horizon in order to satisfy both regularity and the first law of thermodynamics. This regularity condition yields a constraint on the electric and magnetic charges and so reduces cohomogeneity of the system; for spherical horizons, the regularity condition removing the Misner string singularity further reduces cohomogeneity. We observe that bolt solutions with increasing electric charge have positive heat capacity, but upon turning on the magnetic charge to make the solution dyonic, we find that the properties of the uncharged one are retained, having both positive and negative heat capacity. We also study the extremal Bolt solution, finding that Misner string disappears at the horizon in the zero temperature limit. We find that the extremal solution has finite-temperature-like behaviour, with the electric potential playing a role similar to temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2013

Issues and Strategies in Solving Multidisciplinary Optimization Problems

Optimization research at NASA Glenn Research Center has addressed the design of structures, aircraft and airbreathing propulsion engines. The accumulated multidisciplinary design activity is collected under a testbed entitled COMETBOARDS. Several issues were encountered during the solution of the problems. Four issues and the strategies adapted for their resolution are discussed. This is followed by a discussion on analytical methods that is limited to structural design application. An optimization process can lead to an inefficient local solution. This deficiency was encountered during design of an engine component. The limitation was overcome through an augmentation of animation into optimization. Optimum solutions obtained were infeasible for aircraft and airbreathing propulsion engine problems. Alleviation of this deficiency required a cascading of multiple algorithms. Profile optimization of a beam produced an irregular shape. Engineering intuition restored the regular shape for the beam. The solution obtained for a cylindrical shell by a subproblem strategy converged to a design that can be difficult to manufacture. Resolution of this issue remains a challenge. The issues and resolutions are illustrated through a set of problems: Design of an engine component, Synthesis of a subsonic aircraft, Operation optimization of a supersonic engine, Design of a wave-rotor-topping device, Profile optimization of a cantilever beam, and Design of a cylindrical shell. This chapter provides a cursory account of the issues. Cited references provide detailed discussion on the topics. Design of a structure can also be generated by traditional method and the stochastic design concept. Merits and limitations of the three methods (traditional method, optimization method and stochastic concept) are illustrated. In the traditional method, the constraints are manipulated to obtain the design and weight is back calculated. In design optimization, the weight of a structure becomes the merit function with constraints imposed on failure modes and an optimization algorithm is used to generate the solution. Stochastic design concept accounts for uncertainties in loads, material properties, and other parameters and solution is obtained by solving a design optimization problem for a specified reliability. Acceptable solutions can be produced by all the three methods. The variation in the weight calculated by the methods was found to be modest. Some variation was noticed in designs calculated by the methods. The variation may be attributed to structural indeterminacy. It is prudent to develop design by all three methods prior to its fabrication. The traditional design method can be improved when the simplified sensitivities of the behavior constraint is used. Such sensitivity can reduce design calculations and may have a potential to unify the traditional and optimization methods. Weight versus reliability traced out an inverted-S-shaped graph. The center of the graph corresponded to mean valued design. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure. Weight can be reduced to a small value for a most failure-prone design. Probabilistic modeling of load and material properties remained a challenge.

Patnaik, Surya↗

NASA NTRS2013

Downscaling Satellite Precipitation with Emphasis on Extremes: A Variational 1-Norm Regularization in the Derivative Domain

The increasing availability of precipitation observations from space, e.g., from the Tropical Rainfall Measuring Mission (TRMM) and the forthcoming Global Precipitation Measuring (GPM) Mission, has fueled renewed interest in developing frameworks for downscaling and multi-sensor data fusion that can handle large data sets in computationally efficient ways while optimally reproducing desired properties of the underlying rainfall fields. Of special interest is the reproduction of extreme precipitation intensities and gradients, as these are directly relevant to hazard prediction. In this paper, we present a new formalism for downscaling satellite precipitation observations, which explicitly allows for the preservation of some key geometrical and statistical properties of spatial precipitation. These include sharp intensity gradients (due to high-intensity regions embedded within lower-intensity areas), coherent spatial structures (due to regions of slowly varying rainfall),and thicker-than-Gaussian tails of precipitation gradients and intensities. Specifically, we pose the downscaling problem as a discrete inverse problem and solve it via a regularized variational approach (variational downscaling) where the regularization term is selected to impose the desired smoothness in the solution while allowing for some steep gradients(called 1-norm or total variation regularization). We demonstrate the duality between this geometrically inspired solution and its Bayesian statistical interpretation, which is equivalent to assuming a Laplace prior distribution for the precipitation intensities in the derivative (wavelet) space. When the observation operator is not known, we discuss the effect of its misspecification and explore a previously proposed dictionary-based sparse inverse downscaling methodology to indirectly learn the observation operator from a database of coincidental high- and low-resolution observations. The proposed method and ideas are illustrated in case studies featuring the downscaling of a hurricane precipitation field.

Hurricanes↗