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DOE OSTI2017

High-Dimensional Intrinsic Interpolation Using Gaussian Process Regression and Diffusion Maps

This article considers the challenging task of estimating geologic properties of interest using a suite of proxy measurements. The current work recast this task as a manifold learning problem. In this process, this article introduces a novel regression procedure for intrinsic variables constrained onto a manifold embedded in an ambient space. The procedure is meant to sharpen high-dimensional interpolation by inferring non-linear correlations from the data being interpolated. The proposed approach augments manifold learning procedures with a Gaussian process regression. It first identifies, using diffusion maps, a low-dimensional manifold embedded in an ambient high-dimensional space associated with the data. It relies on the diffusion distance associated with this construction to define a distance function with which the data model is equipped. This distance metric function is then used to compute the correlation structure of a Gaussian process that describes the statistical dependence of quantities of interest in the high-dimensional ambient space. The proposed method is applicable to arbitrarily high-dimensional data sets. Here, it is applied to subsurface characterization using a suite of well log measurements. The predictions obtained in original, principal component, and diffusion space are compared using both qualitative and quantitative metrics. Considerable improvement in the prediction of the geological structural properties is observed with the proposed method.

58 GEOSCIENCES↗

DOE OSTI2021

Analytical continuation of matrix-valued functions: Carathéodory formalism

Finite-temperature quantum field theories are formulated in terms of Green's functions and self-energies on the Matsubara axis. In multiorbital systems, these quantities are related to positive semidefinite matrix-valued functions of the Carathéodory and Schur class. Analysis, interpretation, and evaluation of derived quantities such as real-frequency response functions requires analytic continuation of the off-diagonal elements to the real axis. Here we derive the criteria under which such functions exist for given Matsubara data and present an interpolation algorithm that intrinsically respects their mathematical properties. For small systems with precise Matsubara data, we find that the continuation exactly recovers all off-diagonal and diagonal elements. In real-materials systems, we show that the precision of the continuation is sufficient for the analytic continuation to commute with the Dyson equation, and we show that the truncation of the off-diagonal self-energy elements leads to considerable approximation artifacts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1992

Analysis of crustal structure of Venus utilizing residual Line-of-Sight (LOS) gravity acceleration and surface topography data. A trial of global modeling of Venus gravity field using harmonic spline method

To construct Venus' gravity disturbance field (or gravity anomaly) with the spacecraft-observer line of site (LOS) acceleration perturbation data, both a global and a local approach can be used. The global approach, e.g., spherical harmonic coefficients, and the local approach, e.g., the integral operator method, based on geodetic techniques are generally not the same, so that they must be used separately for mapping long wavelength features and short wavelength features. Harmonic spline, as an interpolation and extrapolation technique, is intrinsically flexible to both global and local mapping of a potential field. Theoretically, it preserves the information of the potential field up to the bound by sampling theorem regardless of whether it is global or local mapping, and is never bothered with truncation errors. The improvement of harmonic spline methodology for global mapping is reported. New basis functions, a singular value decomposition (SVD) based modification to Parker & Shure's numerical procedure, and preliminary results are presented.

Fang, Ming↗

NASA NTRS1979

Numerical simulation of VTPR temperature retrievals in a severe storm environment

Environmental conditions prior to convective development on the Great Plains of the U.S. on one case study day were investigated using the high-resolution infrared radiation sounder (HIRS) on Nimbus 6. A dual-retrieval scheme was developed to retrieve both lower tropospheric moisture and temperature parameters from the HIRS radiances. Total precipitable water, surface dew point temperatures, and stability indices were analyzed at a resolution of up to 30 Km on this day. Correlations with interpolated NES rawinsonde values were high and intrinsic noise levels were low. The true quality of the mesoscale analyses, however, is only seen by examining the small scale features at a scale of approximately 100 Km. Perturbations on the dry line feature for this day were seen in the satellite data, although the dry line position was just as easily picked up by surface observations. Convective development 2 1/2 hours later did seem to correlate well with the local maxima of moisture and instability seen in the satellite analyses.

Vonderhaar, T. H.↗

NASA NTRS1992

Gross-fragmentation of meteoroids and bulk density of Geminids from photographic fireball records

The explicit solution of the drag and ablation equations of a single nonfragmenting meteoroid moving in any actual atmosphere was published several years ago. The solution yields the theoretical relation of l, the distance flown by the meteoroid in its trajectory, as a function of time, t, assuming that the height, h, is a known function of l. The photographic records of meteors and fireballs are coded by time marks, using a rotating shutter or a similar device to break the moving image. Time is, thus, the independent variable and for each time mark on a meteoroid trajector, the observed distance along the trajectory, l sub obs, as well as the double- or multiple- station photographs of the same meteoroid. Applying this solution to all available Prairie Network (PN) fireball-records, we recognized that the majority of them gave good solutions with standard deviations somewhat bigger than the intrinsic geometrical precision of the data. We also noticed that, on an average, previous methods of evaluation of the meteoroid velocities (interpolation polynomials, numerical differenciation of the observed l sub obs) used up to only several tens of percent of the intrinsic precision of the PN observational data. When residuals of these solutions, i.e. l sub obs - l sub com, were represented as a function of time for about 75 percent of solutions. The remaining 25 percent of residuals showed systematic changes with time exceeding one standard deviation. We tried to explain these systematic time course of residuals by using different meteoroids first computed theoretically and then analyzed by the same model as the natural PN fireballs were. The conclusion of these model computations is that systematic time changes of residuals in the nonfragmenting model exceeding one standard of deviation are caused by sudden gross fragmentation at one or more trajectory points. Thus, we generalized the explicit solution of the drag and ablation equations of a single nonfragmenting meteoroid by allowing for one or more points, where sudden gross fragmentation can occur. Using this generalized solution, the distances along the meteoroid trajectory can be computed for any choice of input parameters and compared with the observed distances flown by the meteoroid. For the most precise and long fireball trajectories, the least-squares solution can, thus, yield the initial velocities, the ablation coefficients, the dynamical masses, the positions of gross-fragmentation points, and the terminal mass. At a gross-fragmentation point, the ratio of the main mass to all the remaining fragments can be compared with the dynamic mass determined from our gross-fragmentation model and, thus, the meteoroid bulk density can be evaluated. We applied the gross-fragmentation model to sever PN fireballs showing time changes of residuals, and we recognized that, in all these cases, the new computed bulk densities of meteoroids resulted higher in comparison with the meteoroid densities determined with the non-gross-fragmentation model. Other aspects of the study are discussed.

Ceplecha, Zdenek↗

NASA NTRS1999

A Neural Network Aero Design System for Advanced Turbo-Engines

An inverse design method calculates the blade shape that produces a prescribed input pressure distribution. By controlling this input pressure distribution the aerodynamic design objectives can easily be met. Because of the intrinsic relationship between pressure distribution and airfoil physical properties, a Neural Network can be trained to choose the optimal pressure distribution that would meet a set of physical requirements. Neural network systems have been attempted in the context of direct design methods. From properties ascribed to a set of blades the neural network is trained to infer the properties of an 'interpolated' blade shape. The problem is that, especially in transonic regimes where we deal with intrinsically non linear and ill posed problems, small perturbations of the blade shape can produce very large variations of the flow parameters. It is very unlikely that, under these circumstances, a neural network will be able to find the proper solution. The unique situation in the present method is that the neural network can be trained to extract the required input pressure distribution from a database of pressure distributions while the inverse method will still compute the exact blade shape that corresponds to this 'interpolated' input pressure distribution. In other words, the interpolation process is transferred to a smoother problem, namely, finding what pressure distribution would produce the required flow conditions and, once this is done, the inverse method will compute the exact solution for this problem. The use of neural network is, in this context, highly related to the use of proper optimization techniques. The optimization is used essentially as an automation procedure to force the input pressure distributions to achieve the required aero and structural design parameters. A multilayered feed forward network with back-propagation is used to train the system for pattern association and classification.

Sanz, Jose M.↗

DOE OSTI2020

SUGAR: An improved empirical model of Type Ia supernovae based on spectral features

Type Ia supernovae (SNe Ia) are widely used to measure the expansion of the Universe. Improving distance measurements of SNe Ia is one technique to better constrain the acceleration of expansion and determine its physical nature. This document develops a new SNe Ia spectral energy distribution (SED) model, called the SUpernova Generator And Reconstructor (SUGAR), which improves the spectral description of SNe Ia, and consequently could improve the distance measurements. This model was constructed from SNe Ia spectral properties and spectrophotometric data from the Nearby Supernova Factory collaboration. In a first step, a principal component analysis-like method was used on spectral features measured at maximum light, which allowed us to extract the intrinsic properties of SNe Ia. Next, the intrinsic properties were used to extract the average extinction curve. Third, an interpolation using Gaussian processes facilitated using data taken at different epochs during the lifetime of an SN Ia and then projecting the data on a fixed time grid. Finally, the three steps were combined to build the SED model as a function of time and wavelength. This is the SUGAR model. Results. The main advancement in SUGAR is the addition of two additional parameters to characterize SNe Ia variability. The first is tied to the properties of SNe Ia ejecta velocity and the second correlates with their calcium lines. The addition of these parameters, as well as the high quality of the Nearby Supernova Factory data, makes SUGAR an accurate and efficient model for describing the spectra of normal SNe Ia as they brighten and fade. The performance of this model makes it an excellent SED model for experiments like the Zwicky Transient Facility, the Large Synoptic Survey Telescope, or the Wide Field Infrared Survey Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

A general framework for quantifying uncertainty at scale

Abstract In many fields of science, comprehensive and realistic computational models are available nowadays. Often, the respective numerical calculations call for the use of powerful supercomputers, and therefore only a limited number of cases can be investigated explicitly. This prevents straightforward approaches to important tasks like uncertainty quantification and sensitivity analysis. This challenge can be overcome via our recently developed sensitivity-driven dimension-adaptive sparse grid interpolation strategy. The method exploits, via adaptivity, the structure of the underlying model (such as lower intrinsic dimensionality and anisotropic coupling of the uncertain inputs) to enable efficient and accurate uncertainty quantification and sensitivity analysis at scale. Here, we demonstrate the efficiency of this adaptive approach in the context of fusion research, in a realistic, computationally expensive scenario of turbulent transport in a magnetic confinement tokamak device with eight uncertain parameters, reducing the effort by at least two orders of magnitude. In addition, we show that this refinement method intrinsically provides an accurate surrogate model that is nine orders of magnitude cheaper than the high-fidelity model.

Farcaş, Ionuţ-Gabriel (ORCID:0000000238841580)↗

NASA NTRS1985

Finite element algorithms for compressible flow computation on a supercomputer

Methods of applying computational fluid dynamics techniques to engineering problems are discussed. The linking factors between theoretical and applied research are the shape and weight functions which produce the Galerkin finite element schemes. The flow is unsteady, viscous, heat conducting and compressible, and steady-state flows are the asymptotic limit of unsteady flows. All flows are described by the time-averaged Navier-Stokes equations (NSE) with mass and energy conservation. Local curvilinear intrinsic coordinates are applied to discretize the NSE in arbitrary geometric domains. A modified weighted residuals approach defines the discrete analogs of the physical systems modeled and a general interpolants method is used to derive families of numerical models, both implicit and explicit, finite difference and finite elemnt, from a single point of departure. Time-dependent element approximations are achieved with a progressive assembly of generalized elements method. Hyperbolic steady-state Euler algorithms and quasi-parabolic are spatial marching algorithms for solving the discretized equations. Application of the techniques is illustrated through calculation of the compressible flow around a hypersonic flight vehicle at 100,000 ft at zero angle of attack at speeds of Mach 4-10.

Spradley, L. W.↗

NASA NTRS1993

Multi-grid domain decomposition approach for solution of Navier-Stokes equations in primitive variable form

The new multigrid (or adaptive) pseudospectral element method was carried out for the solution of incompressible flow in terms of primitive variable formulation. The desired features of the proposed method include the following: (1) the ability to treat complex geometry; (2) high resolution adapted in the interesting areas; (3) requires minimal working space; and (4) effective in a multiprocessing environment. The approach for flow problems, complex geometry or not, is to first divide the computational domain into a number of fine-grid and coarse-grid subdomains with the inter-overlapping area. Next, it is necessary to implement the Schwarz alternating procedure (SAP) to exchange the data among subdomains, where the coarse-grid correction is used to remove the high frequency error that occurs when the data interpolation from the fine-grid subdomain to the coarse-grid subdomain is conducted. The strategy behind the coarse-grid correction is to adopt the operator of the divergence of the velocity field, which intrinsically links the pressure equation, into this process. The solution of each subdomain can be efficiently solved by the direct (or iterative) eigenfunction expansion technique with the least storage requirement, i.e. O(N(exp 3)) in 3-D and O(N(exp 2)) in 2-D. Numerical results of both driven cavity and jet flow will be presented in the paper to account for the versatility of the proposed method.

Ku, Hwar-Ching↗

NASA NTRS1999

A Neural Network Aero Design System for Advanced Turbo-Engines

Sanz, Jose M.↗

NASA NTRS1994

The scale and persistence of soil moisture anomalies as simulated in a global model

Short term variability of climate is intimately connected with soil moisture variability. Soil moisture provides the storage and subsequent return to the atmosphere, through evaporation and transpiration, of precipitation anomalies over land. Global Circulation Model (GCM) simulations enable consistent identification of correlations and dynamical connections between the hydrologic variables, many of which are incompletely observed. One way to facilitate understanding with these increasingly intricate models is to perform sensitivity studies in which a boundary condition or process is prescribed. In this study we will report on a sensitivity study in which a GCM with a sophisticated land surface representation is used to investigate soil moisture variability in the model climate. The simulations to be used in this study were made at R15 resolution (approximately 4.5 deg latitude x 7.5 deg longitude) with prescribed sea surface temperatures (SST) in the GENESIS model (Thompson and Pollard, 1994), which is coupled to a Land Surface Transfer model (LSX) at 2 deg x 2 deg resolution (Pollard and Thompson, 1994). All the results represented here were taken from the monthly averages of the model results. The LSX model accounts for the physical effects of vegetation with two layers specified at each grid point. Vegetation attributes such as leaf area indices, fractional cover, leaf albedos, etc., were taken from the global dataset in Dorman and Sellers (1989). A six-layer soil model extends from the surface to 4.25 m depth. SST's were prescribed in two ten year experiments using monthly SST values with the daily value being interpolated from the nearest two months. In the first experiment monthly climatological values were used, and in the second, the Atmospheric Model Intercomparison Project (AMIP) observed SST's for the years 1979 through 1988 were used (Gates, 1992). Thus, the former experiment gives a measure of the intrinsic model variability, to be compared with that of the latter experiment, which includes month-to-month variability due to ocean forcing.

Fitzjarrald, D.↗

NASA NTRS1980

Finite difference grid generation by multivariate blending function interpolation

The General Interpolants Method (GIM) code which solves the multidimensional Navier-Stokes equations for arbitrary geometric domains is described. The geometry module in the GIM code generates two and three dimensional grids over specified flow regimes, establishes boundary condition information and computes finite difference analogs for use in the GIM code numerical solution module. The technique can be classified as an algebraic equation approach. The geometry package uses multivariate blending function interpolation of vector-values functions which define the shapes of the edges and surfaces bounding the flow domain. By employing blending functions which conform to the cardinality conditions the flow domain may be mapped onto a unit square (2-D) or unit cube (3-D), thus producing an intrinsic coordinate system for the region of interest. The intrinsic coordinate system facilitates grid spacing control to allow for optimum distribution of nodes in the flow domain.

Anderson, P. G.↗

NASA NTRS2016

Temporal Gain Correction for X-Ray Calorimeter Spectrometers

Calorimetric X-ray detectors are very sensitive to their environment. The boundary conditions can have a profound effect on the gain including heat sink temperature, the local radiation temperature, bias, and the temperature of the readout electronics. Any variation in the boundary conditions can cause temporal variations in the gain of the detector and compromise both the energy scale and the resolving power of the spectrometer. Most production X-ray calorimeter spectrometers, both on the ground and in space, have some means of tracking the gain as a function of time, often using a calibration spectral line. For small gain changes, a linear stretch correction is often sufficient. However, the detectors are intrinsically non-linear and often the event analysis, i.e., shaping, optimal filters etc., add additional non-linearity. Thus for large gain variations or when the best possible precision is required, a linear stretch correction is not sufficient. Here, we discuss a new correction technique based on non-linear interpolation of the energy-scale functions. Using Astro-HSXS calibration data, we demonstrate that the correction can recover the X-ray energy to better than 1 part in 104 over the entire spectral band to above 12 keV even for large-scale gain variations. This method will be used to correct any temporal drift of the on-orbit per-pixel gain using on-board calibration sources for the SXS instrument on the Astro-H observatory.

X-ray detector X-ray spectrometer X-ray calorimete↗

NASA NTRS2016

Uncertainty Assessment of the NASA Earth Exchange Global Daily Downscaled Climate Projections (NEX-GDDP) Dataset

The NASA Earth Exchange Global Daily Downscaled Projections (NEX-GDDP) dataset is comprised of downscaled climate projections that are derived from 21 General Circulation Model (GCM) runs conducted under the Coupled Model Intercomparison Project Phase 5 (CMIP5) and across two of the four greenhouse gas emissions scenarios (RCP4.5 and RCP8.5). Each of the climate projections includes daily maximum temperature, minimum temperature, and precipitation for the periods from 1950 through 2100 and the spatial resolution is 0.25 degrees (approximately 25 km x 25 km). The GDDP dataset has received warm welcome from the science community in conducting studies of climate change impacts at local to regional scales, but a comprehensive evaluation of its uncertainties is still missing. In this study, we apply the Perfect Model Experiment framework (Dixon et al. 2016) to quantify the key sources of uncertainties from the observational baseline dataset, the downscaling algorithm, and some intrinsic assumptions (e.g., the stationary assumption) inherent to the statistical downscaling techniques. We developed a set of metrics to evaluate downscaling errors resulted from bias-correction ("quantile-mapping"), spatial disaggregation, as well as the temporal-spatial non-stationarity of climate variability. Our results highlight the spatial disaggregation (or interpolation) errors, which dominate the overall uncertainties of the GDDP dataset, especially over heterogeneous and complex terrains (e.g., mountains and coastal area). In comparison, the temporal errors in the GDDP dataset tend to be more constrained. Our results also indicate that the downscaled daily precipitation also has relatively larger uncertainties than the temperature fields, reflecting the rather stochastic nature of precipitation in space. Therefore, our results provide insights in improving statistical downscaling algorithms and products in the future.

climate projection↗

NASA NTRS2016

Uncertainty Assessment of the NASA Earth Exchange Global Daily Downscaled Climate Projections (NEX-GDDP) Dataset

The NASA Earth Exchange Global Daily Downscaled Projections (NEX-GDDP) dataset is comprised of downscaled climate projections that are derived from 21 General Circulation Model (GCM) runs conducted under the Coupled Model Intercomparison Project Phase 5 (CMIP5) and across two of the four greenhouse gas emissions scenarios (RCP4.5 and RCP8.5). Each of the climate projections includes daily maximum temperature, minimum temperature, and precipitation for the periods from 1950 through 2100 and the spatial resolution is 0.25 degrees (approximately 25 km by 25 km). The GDDP dataset has received warm welcome from the science community in conducting studies of climate change impacts at local to regional scales, but a comprehensive evaluation of its uncertainties is still missing. In this study, we apply the Perfect Model Experiment framework (Dixon et al. 2016) to quantify the key sources of uncertainties from the observational baseline dataset, the downscaling algorithm, and some intrinsic assumptions (e.g., the stationary assumption) inherent to the statistical downscaling techniques. We developed a set of metrics to evaluate downscaling errors resulted from bias-correction ("quantile-mapping"), spatial disaggregation, as well as the temporal-spatial non-stationarity of climate variability. Our results highlight the spatial disaggregation (or interpolation) errors, which dominate the overall uncertainties of the GDDP dataset, especially over heterogeneous and complex terrains (e.g., mountains and coastal area). In comparison, the temporal errors in the GDDP dataset tend to be more constrained. Our results also indicate that the downscaled daily precipitation also has relatively larger uncertainties than the temperature fields, reflecting the rather stochastic nature of precipitation in space. Therefore, our results provide insights in improving statistical downscaling algorithms and products in the future.

general circulation model (GCM)↗

DOE OSTI2019

Field theory and a structure-preserving geometric particle-in-cell algorithm for drift wave instability and turbulence

A field theory and the associated structure-preserving geometric particle-in-cell (PIC) algorithm are developed to study low frequency electrostatic perturbations with fully kinetic ions and adiabatic electrons in magnetized plasmas. The algorithm is constructed by geometrically discretizing the field theory using discrete exterior calculus, high-order Whitney interpolation forms, and non-canonical Hamiltonian splitting method. The discretization preserves the non-canonical symplectic structure of the particle-field system, as well as the electromagnetic gauge symmetry. As a result, the algorithm is charge-conserving and possesses long-term conservation properties. Because drift wave turbulence and anomalous transport intrinsically involve multi time-scales, simulation studies using fully kinetic particles demand algorithms with long-term accuracy and fidelity. The structure-preserving geometric PIC algorithm developed adequately serves this purpose. The algorithm has been implemented in the code, tested and benchmarked using the examples of ion Bernstein waves and drift waves. We apply the algorithm to study the ion temperature gradient (ITG) instability and turbulence in a 2D slab geometry. Simulation results show that at the early stage of the turbulence, the energy diffusion is between the Bohm scaling and gyro-Bohm scaling. Finally, at later time, the observed diffusion is closer to the gyro-Bohm scaling, and density blobs generated by the rupture of unstable modes are the prominent structures of the fully developed ITG turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1988

The discrete correlation function: A new method for analyzing unevenly sampled variability data

A method of measuring correlation functions without interpolating in the temporal domain, the discrete correlation function, is introduced. It provides an assumption-free representation of the correlation measured in the data, and allows meaningful error estimates. This method does not produce spurious correlations at zero lag due to correlated errors. It is shown that physical interpretation of active galactic nuclei cross-correlation functions requires knowledge of the input function's fluctuation power spectrum, involves model-dependence in the form of symmetry assumptions, and must take into account intrinsic scale bias. This technique was used to find a correlation in published IUE data for NGC 4151, which indicates that the broad C IV feature emanates from a shell 15 to 75 light-days in radius, assuming spherical symmetry.

Edelson, R. A.↗