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Results for “polynomial filtering”

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 19 records

Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC

In this work, we present an efficient implementation of polynomial filtering methods in PARSEC, a real-space pseudopotential based Kohn–Sham density functional theory solver. The implementation described here improves upon a Chebyshev-filtered subspace iteration algorithm used in the previous version of PARSEC. We present a hybrid polynomial filtering scheme that combines Chebyshev-filtered subspace iteration and a spectrum slicing method that partitions the spectrum into several spectral slices and uses bandpass-filtered subspace iteration to compute approximate eigenpairs within each interior slice simultaneously. We describe a procedure to partition a spectrum and construct polynomial filters. We also discuss a number of practical issues such as the use of appropriate data layouts for carrying out the computation on a two-dimensional process grid and how to achieve good load balance by allocating an appropriate number of process groups to each spectral slice. Numerical examples are presented to demonstrate the effectiveness of the hybrid polynomial filtering method as well as the superior parallel scalability of spectrum slicing in comparison to that of Chebyshev-filtered subspace iteration.

97 MATHEMATICS AND COMPUTING↗

Polynomial filter estimation of range and range rate for terminal rendezvous

A study was made of a polynomial filter for computing range rate information from CSM VHF range data. The filter's performance during the terminal phase of the rendezvous is discussed. Two modifications of the filter were also made and tested. A manual terminal rendezvous was simulated and desired accuracies were achieved for vehicles on an intercept trajectory, except for short periods following each braking maneuver when the estimated range rate was initially in error by the magnitude of the burn.

Philips, R.↗

Implicit application of polynomial filters in a k-step Arnoldi method

The Arnoldi process is a well known technique for approximating a few eigenvalues and corresponding eigenvectors of a general square matrix. Numerical difficulties such as loss of orthogonality and assessment of the numerical quality of the approximations as well as a potential for unbounded growth in storage have limited the applicability of the method. These issues are addressed by fixing the number of steps in the Arnoldi process at a prescribed value k and then treating the residual vector as a function of the initial Arnoldi vector. This starting vector is then updated through an iterative scheme that is designed to force convergence of the residual to zero. The iterative scheme is shown to be a truncation of the standard implicitly shifted QR-iteration for dense problems and it avoids the need to explicitly restart the Arnoldi sequence. The main emphasis of this paper is on the derivation and analysis of this scheme. However, there are obvious ways to exploit parallelism through the matrix-vector operations that comprise the majority of the work in the algorithm. Preliminary computational results are given for a few problems on some parallel and vector computers.

Sorensen, D. C.↗

Planetary normal mode computation: Parallel algorithms, performance and reproducibility

This report is an extension of work entitled “Computing planetary interior normal modes with a highly parallel polynomial filtering eigensolver.” by Shi et al., [1] originally presented at the SC18 conference. A highly parallel polynomial filtered eigensolver was developed and exploited to calculate the planetary normal modes. The proposed method is ideally suited for computing interior eigenpairs for large-scale eigenvalue problems as it greatly enhances memory and computational efficiency. In this article, the second-order finite element method is used to further improve the accuracy as only the first-order finite element method was deployed in the previous work. The parallel algorithm, its parallel performance up to 20k processors, and the great computational accuracy are illustrated. The reproducibility of the previous work was successfully performed on the Student Cluster Competition at the SC19 conference by several participant teams using a completely different Mars-model dataset on different clusters. Both weak and strong scaling performances of the reproducibility by the participant teams were impressive and encouraging. The analysis and reflection of their results are demonstrated and future direction is discussed.

97 MATHEMATICS AND COMPUTING↗

A Non-perturbative Approach to Computing Seismic Normal Modes in Rotating Planets

In this work, a continuous Galerkin method based approach is presented to compute the seismic normal modes of rotating planets. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core using a polynomial filtering eigensolver. The relevant elastic-gravitational system of equations, including the Coriolis force, is subjected to a mixed finite-element method, while self-gravitation is accounted for with the fast multipole method. Our discretization utilizes fully unstructured tetrahedral meshes for both solid and fluid regions. The relevant eigenvalue problem is solved by a combination of several highly parallel and computationally efficient methods. We validate our three-dimensional results in the non-rotating case using analytical results for constant elastic balls, as well as numerical results for an isotropic Earth model from standard “radial” algorithms. We also validate the computations in the rotating case, but only in the slowly-rotating regime where perturbation theory applies, because no other independent algorithms are available in the general case. The algorithm and code are used to compute the point spectra of eigenfrequencies in several Earth and Mars models studying the effects of heterogeneity on a large range of scales.

58 GEOSCIENCES↗

Generalized Theory and Realization of Reconfigurable Bandpass Filtering Equalizers

Here, in this article, a generalized theory of bandpass filtering equalizers is proposed. A filtering equalizer is a device that combines the frequency-selective properties of a filter with the controllable slope of an equalizer into a single component. The equations used to design the function for a desired slope are provided, and the design methodology to determine the necessary filtering polynomials is also shown. The controllable slope of the dual-function component is realized using variable capacitors, which are used to tune both a transmission zero and a matching network to achieve the desired slope. A third-order bandpass filtering equalizer is designed, fabricated, and measured to verify the generalized theory. The component is designed to operate at 1 GHz with a slope that can be reconfigured from 1 to 3 dB along the passband. This proposed filtering equalizer demonstrates the feasibility of a tunable, low-cost, size, weight, and power (C-SWaP) solution to enable increased flatness in the overall system response and thereby decrease the error vector magnitude (EVM) of future radio frequency (RF) systems and a design process that allows for future development of filtering equalizers.

Filter↗

Application of an optimal filter for inflatable sphere data processing

The improvement in the sphere data processing, concerning the signal to noise ratio, is discussed. Frequency analysis of the radar data is effectuated. It reveals a specific frequency component in the radar angle error, which may originate from the tracking radar mechanism itself. An optimal (Wiener) filter is applied to the radar data in order to suppress the systematic angular error components selectively. Using this technique, a significant improvement in the signal to noise ratio is achieved. The resolution of sphere measurements, previously limited by the length of the polynomial filter in the sphere data processing algorithm, is improved.

Lee, H. S.↗

Algorithmic Classification of Raman Spectra Biosignatures: Improving Life Detection Confidence

“Agnostic” biosignatures – indicators of life (or the absence of life), independent of a particular biochemistry – are increasingly considered a high standard for life detection. The Ladder of Life Detection (2018) called for investigating how combinations of independent and different potential biosignatures affect confidence. To address this gap, statistical classification of elemental abundances, isotopic fractionation, and reflectance spectroscopy (VNIR) has been implemented. Raman spectroscopy, highly desirable due to its wide availability, has the potential to improve this predictive power. This work implemented biosignature classification algorithms on Raman data alone, in preparation for combination with the other data types. Raman spectroscopy data was collected from published databases and papers as part of a manually curated dataset of “indicative” and “non-indicative of life” samples. These currently include 61 non-indicative samples (meteorites, magnetite); 3 indicative living samples (bacteria); 20 indicative non-living samples (chalk, bone); and 12 indicative mixed (with non-indicative material) samples (soil, microbial mats). Laboratory work is ongoing to characterize additional samples, particularly a greater breadth of mixed systems. Spectra were interpolated, filtered with the Savitzsky-Golay filter, and de-noised. For a preliminary examination, agnostic features were manually extracted including mean intensity, number of peaks, and mean peak width. Different peak prominences and filtering polynomials were used to refine features. Classification algorithms were implemented: k-nearest neighbors (KNN), logistic regression (LR), linear support vector machines (SVM), random forest (RF), Gaussian naïve bayes (GNB). Lastly, Monte Carlo simulations on 1,000 50%-train-test-splits were used to validate classification performance and feature significance. The preliminary feature set achieved its highest AUC of 0.52 with LR, with no strongly discriminatory features. Work to improve feature extraction, such as through deep learning with back propagation, is planned. In future work, the Raman data will be combined with the other data types, and potentially new data types such as enantiomeric excess. This project was partially supported through the NASA Ames Project EXcellence (APEX) incubator program.

Astrobiology↗

Optimal polynomial based quantum eigenstate filtering with application to solving quantum linear systems

We present a quantum eigenstate filtering algorithm based on quantum signal processing (QSP) and minimax polynomials. The algorithm allows us to efficiently prepare a target eigenstate of a given Hamiltonian, if we have access to an initial state with non-trivial overlap with the target eigenstate and have a reasonable lower bound for the spectral gap. We apply this algorithm to the quantum linear system problem (QLSP), and present two algorithms based on quantum adiabatic computing (AQC) and quantum Zeno effect respectively. Both algorithms prepare the final solution as a pure state, and achieves the near optimal $\mathcal{\tilde{O}}$(dκlog(1/ϵ)) query complexity for a d -sparse matrix, where κ is the condition number, and ϵ is the desired precision. Neither algorithm uses phase estimation or amplitude amplification.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Separation of lithospheric, external, and core components of the south polar geomagnetic field at satellite altitudes

We present a new approach to producing scalar Magsat magnetic anomaly maps based on correlation coefficient filtering and the use of almost all of the available orbits. Our method differs from earlier techniques with respect to the following: (1) Passes are selected based on their variance properties rather than planetary indices such as Kp. (2) The core field model is least squares fit to individual passes and subsequently removed instead of substracting the model directly. This technique replaces band pass filtering or polynomial trend removal methods. (3) Each selected pass is sorted geographically and by local time, placed into one of four different altitude bands, and correlation coefficient filtered with the two adjacent passes. The filtering is the second step toward isolating the static lithospheric signal from the more dynamic external field signals. (4) Least squares collocation is used to grid the correlated passes; subsequently, the dawn and dusk maps are also correlation filtered providing another step toward removal of external fields. (5) The four resultant total field maps are continued to a common altitude and again correlation filtered for the static lithospheric anomalies. (6) The filtered results are then averaged together to provide a new total field map of the lithosphere south of 40 deg S latitude. Our total field map differs from previous efforts over the crustal blocks of West Antarctica. We obtained a positive anomaly over Edward VII Peninsula, extending into the Byrd subglacial basin and obtained a negative anomaly over the Ellsworth Mountains and parts of the Byrd subglacial basin. Also, a positive anomaly extending from the Ross Sea to offshore Wilkes Land is present in our map; however, this feature is absent in other maps. Positive anomalies marking the Weddell Sea in previous efforts are not present in our map. Prominent external field anomalies in the quadrant offshore of Wilkes Land are present in all previous efforts; however, these signatures are reduced in our total field map. This map significantly advances efforts for the identification and interpretation of magnetic anomalies of the south polar lithosphere.

Alsdorf, Douglas E.↗

On detrending stream velocity time series for robust tidal flow turbulence characterization

We investigated the impact of detrending techniques on turbulence quantities from tidal stream flow data, focusing on the autocorrelation function, $ρ_{uu}$, and velocity spectrum, $Φ(f)$. Standard detrending methods, including high-pass frequency-based and polynomial-based techniques, are examined, alongside a proposed alternative method, the empirical mode decomposition (EMD). Our results highlight that intervals of flow acceleration and deceleration, typical in tidal and riverine flows, significantly affect the estimation of turbulence quantities using high-pass frequency filtering and polynomial detrending of varying orders. These methods can strongly influence $ρ_{uu}$ and $Φ(f)$, thereby affecting the accurate estimation of derived quantities. We examine two variations of detrending data using EMD; the first removes only the EMD residue, and the second removes both the residue and the largest scale intrinsic mode function (IMF). By comparing the detrended spectra with the modeled von Kármán spectra, we demonstrate that the second variation (i.e., removing the residue and the largest scale IMF) successfully removed the large-scale trend of the data while retaining the energy of other scales.

Detrend↗

Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements

Here, we present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham density functional theory calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by augmenting the classical FE basis with atom-centered numerical basis functions, comprising of atomic solutions to the Kohn-Sham problem. Notably, to improve the conditioning, we orthogonalize the enrichment functions with respect to the classical FE basis, without sacrificing the locality of the resultant basis. In addition to improved conditioning, this orthogonalization procedure also renders the overlap matrix block diagonal, greatly simplifying its inversion. Subsequently, we use a Chebyshev polynomial based filtering technique to efficiently compute the occupied eigenspace in each self-consistent field iteration. We demonstrate the accuracy and efficiency of the proposed approach on periodic unit cells and supercells. The benchmark studies show a staggering 130× speedup of the orthogonalized enriched FE basis over the classical FE basis. We also present a comparison of the orthogonalized enriched FE basis with the linearized augmented plane-wave + local orbitals basis, both in terms of accuracy and efficiency. Notably, we demonstrate that the orthogonalized enriched FE basis can handle large system sizes of ~10 000 electrons. Finally, we observe good parallel scalability of our implementation with 92% efficiency at 22× speedup for a system with 620 electrons

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Feasibility of DEIM for retrieving the initial field via dimensionality reduction

When parameter estimation is solved in a high-dimensional space, the dimensionality reduction strategy becomes the primary consideration for alleviating the tremendous computational cost. Here, the discrete empirical interpolation method (DEIM) is explored to retrieve the initial condition (IC) by combining the polynomial chaos (PC) based ensemble Kalman filter (i.e. PC-EnKF), where a non-intrusive PC expansion is considered as a surrogate model in place of the forward model in the prediction step of the ensemble Kalman filter, resulting in fewer forward model integrations but with a comparable accuracy as Monte Carlo-based approaches. The DEIM acts as a hyper-reduction tool to provide the low-dimensional input for the high-dimensional initial field, which can be reconstructed using the information on the sparse interpolation grid points that is adaptively obtained through PC-EnKF data assimilation method. Thus an innovative framework to reconstruct the IC is developed. The detailed procedure at each assimilation iteration includes: the determination of the spatial interpolation points, the estimation of the initial values on the interpolation locations using the optimal observations, and the reconstruction of IC in the full space. The current study uses the reconstruction field of initial conditions of the Navier-Stokes equations as an example to illustrate the efficacy of our method. The experimental results demonstrate the proposed algorithm achieves a satisfactory reconstruction for the initial field. The proposed method helps to extend the applicable area of DEIM in solving inverse problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A practical assessment of spectral accuracy for hyperbolic problems with discontinuities

Physical and transform space filtering has been applied to the Fourier spectral collocation solution of the constant coefficient scalar wave equation with a discontinuous initial condition. High order accuracy can be extracted from the unfiltered solution. Smooth, high order Fourier space filtering gives expected polynomial order solutions away from the discontinuity. Spectral accuracy is observed with the physical space filter of Gottlieb and Tadmor.

Kopriva, David A.↗

A practical assessment of spectral accuracy for hyperbolic problems with discontinuities

Physical and transform space filtering has been applied to the Fourier spectral collocation solution of the constant coefficient scalar wave equation with a discontinuous initial condition. High order accuracy can be extracted from the unfiltered solution. Smooth, high order Fourier space filtering gives expected polynomial order solutions away from the discontinuity. Spectral accuracy is observed with the physical space filter of Gottlieb and Tadmor.

Kopriva, David A.↗

Adaptive median filtering for preprocessing of time series measurements

A median (L1-norm) filtering program using polynomials was developed. This program was used in automatic recycling data screening. Additionally, a special adaptive program to work with asymmetric distributions was developed. Examples of adaptive median filtering of satellite laser range observations and TV satellite time measurements are given. The program proved to be versatile and time saving in data screening of time series measurements.

Paunonen, Matti↗