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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Group Projected subspace pursuit for IDENTification of variable coefficient differential equations (GP-IDENT)

We propose an effective and robust algorithm for identifying partial differential equations (PDEs) with space-time varying coefficients from the noisy observation of a single solution trajectory. Identifying unknown differential equations from noisy data is a difficult task, and it is even more challenging with space and time varying coefficients in the PDE. The proposed algorithm, GP-IDENT, has three ingredients: (i) we use B-spline bases to express the unknown space and time varying coefficients, (ii) we propose Group Projected Subspace Pursuit (GPSP) to find a sequence of candidate PDEs with various levels of complexity, and (iii) we propose a new criterion for model selection using the Reduction in Residual (RR) to choose an optimal one among a pool of candidates. The new GPSP considers group projected subspaces which is more robust than existing methods in distinguishing correlated group features. We test GP-IDENT on a variety of PDEs and PDE systems, and compare it with the state-of-the-art parametric PDE identification algorithms under different settings to illustrate its outstanding performance. Furthermore, our experiments show that GP-IDENT is effective in identifying the correct terms from a large dictionary, and our model selection scheme is robust to noise.

Data-driven method↗
DOE OSTI2024

Colloquium: Eigenvector continuation and projection-based emulators

Eigenvector continuation is a computational method for parametric eigenvalue problems that uses subspace projection with a basis derived from eigenvector snapshots from different parameter sets. It is part of a broader class of subspace-projection techniques called reduced-basis methods. In this Colloquium, the development, theory, and applications of eigenvector continuation and projection-based emulators are presented. In conclusion, the basic concepts are introduced, the underlying theory and convergence properties are discussed, and recent applications for quantum systems and future prospects are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Accelerating eigenvalue computation for nuclear structure calculations via perturbative corrections

Subspace projection methods utilizing perturbative corrections have been proposed for computing the lowest few eigenvalues and corresponding eigenvectors of large Hamiltonian matrices. In this paper, we build upon these methods and introduce the term Subspace Projection with Perturbative Corrections (SPPC) method to refer to this approach. We tailor the SPPC for nuclear many-body Hamiltonians represented in a truncated configuration interaction subspace, i.e., the no-core shell model (NCSM). We use the hierarchical structure of the NCSM Hamiltonian to partition the Hamiltonian as the sum of two matrices. The first matrix corresponds to the Hamiltonian represented in a small configuration space, whereas the second is viewed as the perturbation to the first matrix. Eigenvalues and eigenvectors of the first matrix can be computed efficiently. Because of the split, perturbative corrections to the eigenvectors of the first matrix can be obtained efficiently from the solutions of a sequence of linear systems of equations defined in the small configuration space. These correction vectors can be combined with the approximate eigenvectors of the first matrix to construct a subspace from which more accurate approximations of the desired eigenpairs can be obtained. We show by numerical examples that the SPPC method can be more efficient than conventional iterative methods for solving large-scale eigenvalue problems such as the Lanczos, block Lanczos and the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The method can also be combined with other methods to avoid convergence stagnation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Dynamics retrieval from stochastically weighted incomplete data by low-pass spectral analysis

Time-resolved serial femtosecond crystallography (TR-SFX) provides access to protein dynamics on sub-picosecond timescales, and with atomic resolution. Due to the nature of the experiment, these datasets are often highly incomplete and the measured diffracted intensities are affected by partiality. To tackle these issues, one established procedure is that of splitting the data into time bins, and averaging the multiple measurements of equivalent reflections within each bin. This binning and averaging often involve a loss of information. Here, we propose an alternative approach, which we call low-pass spectral analysis (LPSA). In this method, the data are projected onto the subspace defined by a set of trigonometric functions, with frequencies up to a certain cutoff. This approach attenuates undesirable high-frequency features and facilitates retrieving the underlying dynamics. A time-lagged embedding step can be included prior to subspace projection to improve the stability of the results with respect to the parameters involved. Subsequent modal decomposition allows to produce a low-rank description of the system's evolution. Using a synthetic time-evolving model with incomplete and partial observations, we analyze the LPSA results in terms of quality of the retrieved signal, as a function of the parameters involved. We compare the performance of LPSA to that of a range of other sophisticated data analysis techniques. We show that LPSA allows to achieve excellent dynamics reconstruction at modest computational cost. Finally, we demonstrate the superiority of dynamics retrieval by LPSA compared to time binning and merging, which is, to date, the most commonly used method to extract dynamical information from TR-SFX data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus

We perform a global sensitivity analysis of the binding energy and the charge radius of the nucleus 16 O to identify the most influential low-energy constants in the next-to-next-to-leading order chiral Hamiltonian with two- and three-nucleon forces. For this purpose, we develop a subspace-projected coupled-cluster method using eigenvector continuation [Frame D. et al., Phys. Rev. Lett. 121, 032501 (2018)]. With this method, we compute the binding energy and charge radius of 16 O at more than 106 different values of the 16 low-energy constants in one hour on a standard laptop computer. For relatively small subspace projections, the root-mean-square error is about 1% compared to full-space coupled-cluster results. We find that 58(1)% of the variance in energy can be apportioned to a single contact term in the 3 S 1 wave, whereas the radius depends sensitively on several low-energy constants and their higher-order correlations. The results identify the most important parameters for describing nuclear saturation and help prioritize efforts for uncertainty reduction of theoretical predictions. The achieved acceleration opens up an array of computational statistics analyses of the underlying description of the strong nuclear interaction in nuclei across the Segrè chart.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Application of Krylov exponential propagation to fluid dynamics equations

This paper presents an application of matrix exponentiation via Krylov subspace projection, to the solution of fluid dynamics problems. The main idea is to approximate the operation exp(A)v by means of a projection-like process onto a Krylov subspace. This results in a computation of an exponential matrix vector product similar to the one above but of a much smaller size. Time integration schemes can then be devised to exploit this basic computational kernel. The motivation of this approach is to provide time-integration schemes that are essentially of an explicit nature but which have good stability properties.

Saad, Y.↗
NASA NTRS1991

Application of Krylov exponential propagation to fluid dynamics equations

An application of matrix exponentiation via Krylov subspace projection to the solution of fluid dynamics problems is presented. The main idea is to approximate the operation exp(A)v by means of a projection-like process onto a krylov subspace. This results in a computation of an exponential matrix vector product similar to the one above but of a much smaller size. Time integration schemes can then be devised to exploit this basic computational kernel. The motivation of this approach is to provide time-integration schemes that are essentially of an explicit nature but which have good stability properties.

Saad, Youcef↗
DOE OSTI2025

Nonintrusive projection-based reduced order modeling using stable learned differential operators

Nonintrusive projection-based reduced order models (ROMs) are essential for dynamics prediction in multi-query applications where underlying governing equations are known but the access to the source of the underlying full order model (FOM) is unavailable; that is, FOM is a glass-box. This article proposes a learn-then-project approach for nonintrusive model reduction. In the first step of this approach, high-dimensional stable sparse learned differential operators (S-LDOs) are determined using the generated data. In the second step, the ordinary differential equations, comprising these S-LDOs, are used with suitable dimensionality reduction and low-dimensional subspace projection methods to provide equations for the evolution of reduced states. This approach allows easy integration into the existing intrusive ROM framework to enable nonintrusive model reduction while allowing the use of Petrov–Galerkin projections. The applicability of the proposed approach is demonstrated for Galerkin and LSPG projection-based ROMs through four numerical experiments: 1-D scalar advection, 1-D Burgers, 2-D scalar advection and 1-D scalar advection–diffusion–reaction equations. In conclusion, the results indicate that the proposed nonintrusive ROM strategy provides accurate and stable dynamics prediction.

42 ENGINEERING↗
NASA NTRS1994

Tensor-GMRES method for large sparse systems of nonlinear equations

This paper introduces a tensor-Krylov method, the tensor-GMRES method, for large sparse systems of nonlinear equations. This method is a coupling of tensor model formation and solution techniques for nonlinear equations with Krylov subspace projection techniques for unsymmetric systems of linear equations. Traditional tensor methods for nonlinear equations are based on a quadratic model of the nonlinear function, a standard linear model augmented by a simple second order term. These methods are shown to be significantly more efficient than standard methods both on nonsingular problems and on problems where the Jacobian matrix at the solution is singular. A major disadvantage of the traditional tensor methods is that the solution of the tensor model requires the factorization of the Jacobian matrix, which may not be suitable for problems where the Jacobian matrix is large and has a 'bad' sparsity structure for an efficient factorization. We overcome this difficulty by forming and solving the tensor model using an extension of a Newton-GMRES scheme. Like traditional tensor methods, we show that the new tensor method has significant computational advantages over the analogous Newton counterpart. Consistent with Krylov subspace based methods, the new tensor method does not depend on the factorization of the Jacobian matrix. As a matter of fact, the Jacobian matrix is never needed explicitly.

Feng, Dan↗
DOE OSTI2024

Emulating ab initio computations of infinite nucleonic matter

We construct efficient emulators for the computation of the infinite nuclear matter equation of state. These emulators are based on the subspace-projected coupled-cluster method for which we here develop a new algorithm called small-batch voting to eliminate spurious states that might appear when emulating quantum many-body methods based on a non-Hermitian Hamiltonian. The efficiency and accuracy of these emulators facilitate a rigorous statistical analysis within which we explore nuclear matter predictions for > 10 6 different parametrizations of a chiral interaction model with explicit Δ -isobars at next-to-next-to leading order. Constrained by nucleon-nucleon scattering phase shifts and bound-state observables of light nuclei up to He 4 , we use history matching to identify nonimplausible domains for the low-energy coupling constants of the chiral interaction. Within these domains we perform a Bayesian analysis using sampling and importance resampling with different likelihood calibrations and study correlations between interaction parameters, calibration observables in light nuclei, and nuclear matter saturation properties. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

Considerations on solving problems with multiple scales

An overview is given on considerations involved in the computation of solution to problems involving several scales. Examples of problems with multiple scales are studied, showing that the presence of multiple scales in a physical system may be manifested in different ways which depend on the degree of interaction between the various scales. Numerical methods commonly used to solve problems with multiple scales discussed, and it is found that the effective methods are based on subspace projection.

Chin, R. C. Y.↗
NASA NTRS1993

Discrimination of poorly exposed lithologies in AVIRIS data

One of the advantages afforded by imaging spectrometers such as AVIRIS is the capability to detect target materials at a sub-pixel scale. This paper presents several examples of the identification of poorly exposed geologic materials - materials which are either subpixel in scale or which, while having some surface expression over several pixels, are partially covered by vegetation or other materials. Sabol et al. (1992) noted that a primary factor in the ability to distinguish sub-pixel targets is the spectral contrast between the target and its surroundings. In most cases, this contrast is best expressed as an absorption feature or features present in the target but absent in the surroundings. Under such circumstances, techniques such as band depth mapping (Clark et al., 1992) are feasible. However, the only difference between a target material and its surroundings is often expressed solely in the continuum. We define the 'continuum' as the reflectance or radiance spanning spectral space between spectral features. Differences in continuum slope and shape can only be determined by reduction techniques which considers the entire spectral range; i.e., techniques such as spectral mixture analysis (Adams et al., 1989) and recently developed techniques which utilize an orthogonal subspace projection operator (Harsanyi, 1993). Two of the three examples considered herein deal with cases where the target material differs from its surroundings only by such a subtle continuum change.

Farrand, William H.↗
NASA NTRS1996

Implicity restarted Arnoldi/Lanczos methods for large scale eigenvalue calculations

Eigenvalues and eigenfunctions of linear operators are important to many areas of applied mathematics. The ability to approximate these quantities numerically is becoming increasingly important in a wide variety of applications. This increasing demand has fueled interest in the development of new methods and software for the numerical solution of large-scale algebraic eigenvalue problems. In turn, the existence of these new methods and software, along with the dramatically increased computational capabilities now available, has enabled the solution of problems that would not even have been posed five or ten years ago. Until very recently, software for large-scale nonsymmetric problems was virtually non-existent. Fortunately, the situation is improving rapidly. The purpose of this article is to provide an overview of the numerical solution of large-scale algebraic eigenvalue problems. The focus will be on a class of methods called Krylov subspace projection methods. The well-known Lanczos method is the premier member of this class. The Arnoldi method generalizes the Lanczos method to the nonsymmetric case. A recently developed variant of the Arnoldi/Lanczos scheme called the Implicitly Restarted Arnoldi Method is presented here in some depth. This method is highlighted because of its suitability as a basis for software development.

Sorensen, Danny C.↗
NASA NTRS1999

Signal Prediction With Input Identification

A novel coding technique is presented for signal prediction with applications including speech coding, system identification, and estimation of input excitation. The approach is based on the blind equalization method for speech signal processing in conjunction with the geometric subspace projection theory to formulate the basic prediction equation. The speech-coding problem is often divided into two parts, a linear prediction model and excitation input. The parameter coefficients of the linear predictor and the input excitation are solved simultaneously and recursively by a conventional recursive least-squares algorithm. The excitation input is computed by coding all possible outcomes into a binary codebook. The coefficients of the linear predictor and excitation, and the index of the codebook can then be used to represent the signal. In addition, a variable-frame concept is proposed to block the same excitation signal in sequence in order to reduce the storage size and increase the transmission rate. The results of this work can be easily extended to the problem of disturbance identification. The basic principles are outlined in this report and differences from other existing methods are discussed. Simulations are included to demonstrate the proposed method.

Juang, Jer-Nan↗
NASA NTRS2015

Projection-Based Reduced Order Modeling for Spacecraft Thermal Analysis

This paper presents a mathematically rigorous, subspace projection-based reduced order modeling (ROM) methodology and an integrated framework to automatically generate reduced order models for spacecraft thermal analysis. Two key steps in the reduced order modeling procedure are described: (1) the acquisition of a full-scale spacecraft model in the ordinary differential equation (ODE) and differential algebraic equation (DAE) form to resolve its dynamic thermal behavior; and (2) the ROM to markedly reduce the dimension of the full-scale model. Specifically, proper orthogonal decomposition (POD) in conjunction with discrete empirical interpolation method (DEIM) and trajectory piece-wise linear (TPWL) methods are developed to address the strong nonlinear thermal effects due to coupled conductive and radiative heat transfer in the spacecraft environment. Case studies using NASA-relevant satellite models are undertaken to verify the capability and to assess the computational performance of the ROM technique in terms of speed-up and error relative to the full-scale model. ROM exhibits excellent agreement in spatiotemporal thermal profiles (<0.5% relative error in pertinent time scales) along with salient computational acceleration (up to two orders of magnitude speed-up) over the full-scale analysis. These findings establish the feasibility of ROM to perform rational and computationally affordable thermal analysis, develop reliable thermal control strategies for spacecraft, and greatly reduce the development cycle times and costs.

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