Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Singular value decomposition”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Computing rank‐revealing factorizations of matrices stored out‐of‐core

This paper describes efficient algorithms for computing rank-revealing factorizations of matrices that are too large to fit in main memory (RAM), and must instead be stored on slow external memory devices such as disks (out-of-core or out-of-memory). Traditional algorithms for computing rank-revealing factorizations (such as the column pivoted QR factorization and the singular value decomposition) are very communication intensive as they require many vector-vector and matrix-vector operations, which become prohibitively expensive when data is not in RAM. Randomization allows to reformulate new methods so that large contiguous blocks of the matrix are processed in bulk. The paper describes two distinct methods. The first is a blocked version of column pivoted Householder QR, organized as a “left-looking” method to minimize the number of the expensive write operations. The second method results employs a UTV factorization. It is organized as an algorithm-by-blocks to overlap computations and I/O operations. As it incorporates power iterations, it is much better at revealing the numerical rank. Numerical experiments on several computers demonstrate that the new algorithms are almost as fast when processing data stored on slow memory devices as traditional algorithms are for data stored in RAM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Sparse matrix‐vector and matrix‐multivector products for the truncated SVD on graphics processors

Summary Many practical algorithms for numerical rank computations implement an iterative procedure that involves repeated multiplications of a vector, or a collection of vectors, with both a sparse matrix and its transpose. Unfortunately, the realization of these sparse products on current high performance libraries often deliver much lower arithmetic throughput when the matrix involved in the product is transposed. In this work, we propose a hybrid sparse matrix layout, named CSRC, that combines the flexibility of some well‐known sparse formats to offer a number of appealing properties: (1) CSRC can be obtained at low cost from the popular CSR (compressed sparse row) format; (2) CSRC has similar storage requirements as CSR; and especially, (3) the implementation of the sparse product kernels delivers high performance for both the direct product and its transposed variant on modern graphics accelerators thanks to a significant reduction of atomic operations compared to a conventional implementation based on CSR. This solution thus renders considerably higher performance when integrated into an iterative algorithm for the truncated singular value decomposition (SVD), such as the randomized SVD or, as demonstrated in the experimental results, the block Golub–Kahan–Lanczos algorithm.

Aliaga, José I.↗
DOE OSTI2025

BCARS Simulated Phantom Dataset for Evaluation of Processing Pipelines

Broadband coherent anti-Stokes Raman scattering (BCARS) microscopy is a powerful label-free biological imaging technique, but the raw signal requires careful processing. The vibrationally resonant (Raman) fingerprint signal is usually small compared with instrumental noise sources and the nonresonant background (NRB) inherent in the BCARS signal. Fortunately, the NRB exhibits a systematic phase relationship with the coherent Raman response, acting as a heterodyne amplifier for the weak fingerprint signal. Due to this heterodyne effect, the Raman response can be recovered quantitatively and invariantly across different instruments, provided the NRB shape is known. Even with heterodyne amplification, the amplitudes of fingerprint signal components are often comparable to system noise. Singular value decomposition (SVD), which utilizes spatial information, is often employed for additional noise filtering. Consequently, finding optimal processing parameters to properly distinguish the NRB and Raman responses and suppress noise in the complex BCARS signal requires a reference system that realistically represents the spectral and spatial properties of BCARS signals obtained from biological samples. We present a digital tissue phantom that meets these criteria as a tool for testing candidate signal processing pipelines. The digital phantom is generated with simulated hyperspectral Raman images having system-specific noise and background characteristics. Here, we analyze phantom datasets with differing background and signal-to-noise conditions to evaluate their impact on the performance of multiple signal processing pipelines. Specifically, we investigate the application of a Butterworth filter-based routine to directly estimate the NRB from the BCARS signal. Additionally, we evaluate a Lorentzian wavelet transform as an alternative to the Hilbert transform for extracting the Raman spectrum from the BCARS signal. While we demonstrate this phantom for BCARS, it can be used for any spectroscopic Raman imaging approach.

Dixon, Jessica Z. [Georgia Institute of Technology↗
DOE OSTI2017

Comparative Study of Clustering Techniques for Real-Time Dynamic Model Reduction

Dynamic model reduction in power systems is necessary for improving computational efficiency. Traditional model reduction using linearized models or offline analysis would not be adequate to capture power system dynamic behaviors, especially the new mix of intermittent generation and intelligent consumption makes the power system more dynamic and non-linear. Real time dynamic model reduction emerges as an important need. This paper explores the use of clustering techniques to analyze real-time phasor measurements to determine generator groups and representative generators for dynamic model reduction. Two clustering techniques – graph clustering and evolutionary clustering – are studied in this paper. Various implementations of these techniques are compared and also compared with a previously developed Singular Value Decomposition (SVD)-based dynamic model reduction approach. Various methods exhibit different levels of accuracy when comparing the reduced model simulation against the original model. But some of them are consistently accurate. From this comparative perspective, this paper provides a good reference point for practical implementations.

model reduction, graph clustering, svd, evolutiona↗
DOE OSTI2015

On the Design, Development, and Analysis of Optimized Matrix-Vector Multiplication Routines for Coprocessors

The manycore paradigm shift, and the resulting change in modern computer architectures, has made the development of optimal numerical routines extremely challenging. In this work, we target the development of numerical algorithms and implementations for Xeon Phi coprocessor architecture designs. In particular, we examine and optimize the general and symmetric matrix-vector multiplication routines (gemv/symv), which are some of the most heavily used linear algebra kernels in many important engineering and physics applications. We describe a successful approach on how to address the challenges for this problem, starting with our algorithm design, performance analysis and programing model and moving to kernel optimization. Our goal, by targeting low-level and easy to understand fundamental kernels, is to develop new optimization strategies that can be effective elsewhere for use on manycore coprocessors, and to show significant performance improvements compared to existing state-of-the-art implementations. Therefore, in addition to the new optimization strategies, analysis, and optimal performance results, we finally present the significance of using these routines/strategies to accelerate higher-level numerical algorithms for the eigenvalue problem (EVP) and the singular value decomposition (SVD) that by themselves are foundational for many important applications.

Kabir, Khairul↗
DOE OSTI2023

Mallat Scattering Transformation based surrogate for Magnetohydrodynamics

Abstract A Machine and Deep Learning (MLDL) methodology is developed and applied to give a high fidelity, fast surrogate for 2D resistive MagnetoHydroDynamic (MHD) simulations of Magnetic Liner Inertial Fusion (MagLIF) implosions. The resistive MHD code is used to generate an ensemble of implosions with different liner aspect ratios, initial gas preheat temperatures (that is, different adiabats), and different liner perturbations. The liner density and magnetic field as functions of x , y , and z were generated. The Mallat Scattering Transformation (MST) is taken of the logarithm of both fields and a Principal Components Analysis (PCA) is done on the logarithm of the MST of both fields. The fields are projected onto the PCA vectors and a small number of these PCA vector components are kept. Singular Value Decompositions of the cross correlation of the input parameters to the output logarithm of the MST of the fields, and of the cross correlation of the SVD vector components to the PCA vector components are done. This allows the identification of the PCA vectors vis-a-vis the input parameters. Finally, a Multi Layer Perceptron (MLP) neural network with ReLU activation and a simple three layer encoder/decoder architecture is trained on this dataset to predict the PCA vector components of the fields as a function of time. Details of the implosion, stagnation, and the disassembly are well captured. Examination of the PCA vectors and a permutation importance analysis of the MLP show definitive evidence of an inverse turbulent cascade into a dipole emergent behavior. The orientation of the dipole is set by the initial liner perturbation. The analysis is repeated with a version of the MST which includes phase, called Wavelet Phase Harmonics (WPH). While WPH do not give the physical insight of the MST, they can and are inverted to give field configurations as a function of time, including field-to-field correlations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Toward memory-efficient melt pool monitoring: a classification framework using event-based imaging and sparse sensing technique

Vision sensors like CMOS and CCD cameras are often used for in-process monitoring of melt pools in laser-based additive and welding processes, but they require transferring large amounts of data and computational processing resources. Event-based neuromorphic imagery, on the other hand, detects only the change in pixel intensity, thus potentially reducing the data amount and latency. With an event imager, this study develops a framework for melt pool condition classification, including image construction, time scale selection, optimal pixel selection, and sparse classification, to achieve a highly memory-efficient scheme. These are based on sparse sensing techniques with singular value decomposition (SVD) and QR pivoting, the two fundamental matrix transformations for linear dimensionality reduction. The framework is then validated by classifying a controlled experiment by exciting various mode shapes of liquid gallium pools of varying depths (3, 6, and 8 mm). At 200 pixels, the classifier can reach overall accuracy of 75%, while at 2000 pixels (0.013% of the total possible pixels), the accuracy is nearly 90% (89.86%). At the same number of pixels, random selection can only achieve 46% and 67%, respectively. The memory savings of the sparsely sampled event data compared to a conventional imager is about 500 times. In addition to performance, implementation and limitations of the framework are also discussed.

42 ENGINEERING↗
DOE OSTI2024

A Local Macroscopic Conservative (LoMaC) Low Rank Tensor Method for the Vlasov Dynamics

Abstract In this paper, we propose a novel Local Macroscopic Conservative (LoMaC) low rank tensor method for simulating the Vlasov-Poisson (VP) system. The LoMaC property refers to the exact local conservation of macroscopic mass, momentum and energy at the discrete level. This is a follow-up work of our previous development of a conservative low rank tensor approach for Vlasov dynamics ( arXiv:2201.10397 ). In that work, we applied a low rank tensor method with a conservative singular value decomposition to the high dimensional VP system to mitigate the curse of dimensionality, while maintaining the local conservation of mass and momentum. However, energy conservation is not guaranteed, which is a critical property to avoid unphysical plasma self-heating or cooling. The new ingredient in the LoMaC low rank tensor algorithm is that we simultaneously evolve the macroscopic conservation laws of mass, momentum and energy using a flux-difference form with kinetic flux vector splitting; then the LoMaC property is realized by projecting the low rank kinetic solution onto a subspace that shares the same macroscopic observables by a conservative orthogonal projection. The algorithm is extended to the high dimensional problems by hierarchical Tuck decomposition of solution tensors and a corresponding conservative projection algorithm. Extensive numerical tests on the VP system are showcased for the algorithm’s efficacy.

Guo, Wei↗
DOE OSTI2018

Inversion of Meteor Rayleigh Waves on Earth and Modeling of Air Coupled Rayleigh Waves on Mars

Meteor impacts and/or meteor events generate body and surface seismic waves on the surface of a planet. When meteoroids burst in the atmosphere, they generate shock waves that subsequently convert into acoustic waves in the atmosphere and seismic waves in the ground. This effect can be modeled as the amplitude of Rayleigh and other Spheroidal modes excitation, due to atmospheric/ground coupling effects. First, an inversion of the seismic source of Chelyabinsk superbolide is performed. We develop an approach in order to model a line source in the atmosphere, corresponding to the consecutive generation of shock waves by the interaction with the atmosphere. The model is based on the known trajectory. We calculate the synthetic seismograms of Rayleigh waves associated with the event by the summation of normal modes of a model of the solid part and the atmosphere of the planet. Through an inversion technique based on singular value decomposition, we perform a full Rayleigh wave inversion and we provide solutions for the moment magnitude. SEIS will likely detect seismic waves generated by impacts and the later might be further located by remote sensing differential processing. In the case of Mars, we use the same method to obtain waveforms associated with impacts on the planetary surface or in low altitudes in the Martian atmosphere. We show that the contribution of the fundamental spheroidal solid mode is dominating the waveforms, compared to that of the first two overtones. We perform an amplitude comparison and we show that small impactors (diameter of 0.5 to 2 m), can be detected by the SEIS VBB seismometer of InSight mission, even in short epicentral distances, in the higher frequencies of the Rayleigh waves. We perform an analysis based on impact rate estimations and we calculate the number of detectable events of 1 meter diameter meteor impacts to be 6.7 to 13.4 per 1 Martian year for a Q=500 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

A novel low-rank matrix completion approach to estimate missing entries in Euclidean distance matrix

A Euclidean distance matrix (EDM) is a table of distance-square between points on a k-dimensional Euclidean space, with applications in many fields (e.g., engineering, geodesy, economics, genetics, biochemistry, and psychology). A problem that often arises is the absence (or uncertainty) of some EDM elements. In many situations, only a subset of all pairwise distances is available and it is desired to have some procedure to estimate the missing distances. In this paper, we address the problem of missing data in EDM through low-rank matrix completion techniques. We exploit the fact that the rank of a EDM is at most k+2 and does not depend on the number of points, which is, in general, much bigger then k. We use a singular value decomposition approach that considers the rank of the matrix to be completed and computes, in each iteration, a parameter that controls the convergence of the method. After performing a number of computational experiments, we could observe that our proposal was able to recover, with high precision, random EDMs with more than 1000 points and up to 98% of missing data in few minutes. In addition, our method required a smaller number of iterations when compared to other competitive state-of-art technique.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Ensemble Kalman filter for data assimilation coupled with low-resolution computations techniques applied in fluid dynamics

This paper presents an innovative Reduced-order model (ROM) for merging experimental and simulation data using data assimilation (DA) to estimate the "True" state of a fluid dynamics system, leading to more accurate predictions. Our methodology introduces a novel approach by implementing the ensemble Kalman filter (EnKF) within a reduced-dimensional framework, grounded in a robust theoretical foundation and applied to fluid dynamics. To address the substantial computational demands of DA, the proposed ROM employs low-resolution (LR) techniques to drastically reduce computational costs. This innovative approach involves downsampling datasets for DA computations, followed by an advanced reconstruction technique based on low-cost singular value decomposition (lcSVD). The lcSVD method, a key innovation in this paper, has never been applied to DA before and offers a highly efficient way to enhance resolution with minimal computational resources. Our results demonstrate significant reductions in both computation time and RAM usage through these LR techniques without compromising the accuracy of the estimations. For instance, in a turbulent test case, for a data compression rate of 15.9, the LR approach can achieve a speed-up of 13.7 and a RAM compression of 90.9% while maintaining a low relative root mean square error (RRMSE) of 2.6%, compared to 0.8% in the high-resolution (HR) reference. Furthermore, we highlight the effectiveness of the EnKF in estimating and predicting the state of fluid flow systems based on limited observations and given low-fidelity numerical data. This paper highlights the potential of the proposed DA method in fluid dynamics applications, particularly for improving computational efficiency in CFD and related fields. Its ability to balance accuracy with low computational and memory costs makes it especially suitable for large-scale and real-time applications, such as environmental monitoring or engineering design. This method will be incorporated into ModelFLOWs-app.

Data Assimilation↗
DOE OSTI2018

Lorentzian geometry for detecting qubit entanglement

We describe a new approach based on Lorentzian geometry to detect qubit entanglement. The treatment is based physically, on the causal structure of Minkowski spacetime, and mathematically, on a Lorentzian Singular Value Decomposition. A surprising feature is the natural emergence of “Energy conditions” used in Relativity. All states satisfy a “Dominant Energy Condition” (DEC) and separable states satisfy the Strong Energy Condition(SEC), while entangled states violate the SEC. We thus propose a test for two qubit entanglement which is an alternative to the positive partial transpose (PPT) test. This test is based on the partial Lorentz transformation (PLT) on individual qubits. Apart from testing for entanglement, our approach also enables us to construct a separable form for the density matrix in those cases where it exists. Our approach leads to a simple graphical three dimensional representation of the state space which shows the entangled states within the set of all states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Towards a reliable assessment of charging effects during surface analysis: Accurate spectral shapes of ZrO 2 and Pd/ZrO 2 via X-ray Photoelectron Spectroscopy

X-ray Photoelectron Spectroscopy of large bandgap or insulating material surfaces relies on an effective mechanism that compensates for the emission (loss) of electrons by maintaining the material surface at a steady-state uniform potential. While a steady-state may be attained by utilizing an active compensation, such as low power electron emitting filament, there is the possibility that the surface potential is not uniform over the area analyzed, leading to peak shifts and incorrect spectral interpretation. Here, in this work, a spectral data processing method based on mapping the ZrO 2 and Pd/ZrO 2 surfaces utilizing photoemission peak binding energy is proposed, which provides information about the response of specific material surfaces to charge compensation. Spectromicroscopy of ZrO 2 and Pd/ZrO 2 surfaces without spatial information is used to monitor the efficacy of charge compensation. Exploiting counts distributed over many bins require the use of procedures and algorithms essential to practical mapping peak positions. Iterative singular value decomposition is therefore introduced and utilized as a means of efficiently delivering spatially resolved spectra from which binding energy for peaks is computed. The concepts developed in this work result in robust and accurate peak models of ZrO 2 and Pd/ZrO 2 that can be applied in XPS analysis of not only ZrO 2 but other large bandgap or insulating material surfaces. Supporting arguments for a peak model representing signal from Zr 3p and Pd 3d are developed within this work are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Use of Fisher's Ratio assisted multivariate curve resolution- alternating least squares for discovery-based analysis using ultrahigh pressure liquid chromatography-high resolution mass spectrometry

Non-targeted analysis of complex chemical mixtures can be difficult considering the convoluted nature of the matrix and the potential unknown chemical differences between samples or classes of samples. Ultrahigh pressure liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF) is an ideal technique to probe chemical differences for a wide variety of samples. While UHPLC-QTOF can discover minute chemical differences down to low part per billion (ppb) concentrations with a high degree of confidence, the application of high-resolution mass spectrometry can yield massive amounts of information (∼ 10 gb per sample) that cannot be analyzed manually. Therefore, the application of chemometric techniques is mandatory for the interrogation of complex samples. Fisher's ratio (FR) assisted multivariate curve resolution-alternating least squares (MCR-ALS) was used to the discover and identify the chemical differences between two classes of materials: 1) a pond water matrix and 2) the matrix spiked with a pharmaceutical standard mix containing 17 compounds. Thirteen of the seventeen spiked compounds were discovered using FR analysis, and then five were successfully deconvoluted using MCR-ALS wherein the number of curves chosen were automatically determined using singular value decomposition (SVD). In conclusion, the use of an automated FR assisted MCR-ALS will aid in discovering trace levels of chemical components without the need for the researcher to provide potentially biased input which will aid in non-targeted workflow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Jacobian-based model diagnostics and application to equation oriented modeling of a carbon capture system

It can be difficult to identify the specific variables or equations responsible for convergence issues in large mathematical programming models. The Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES-IP) contains a tool to identify poorly scaled constraints and variables by searching for rows and columns of the Jacobian matrix with small L2-norms. A singular value decomposition is then performed to identify degenerate sets of equations and remaining scaling issues. Here, this work presents a flowsheet developed for post-combustion carbon capture using a monoethanolamine (MEA) solvent system as a case study. This work takes the reader through the entire process of model diagnostics and reformulation, from a basic introduction to the mathematics behind these model diagnostics to the reformulations necessary to make the model numerically robust, including a significantly modified enhancement factor model.

IDAES↗
DOE OSTI2013

An iterative stochastic ensemble method for parameter estimation of subsurface flow models

Parameter estimation for subsurface flow models is an essential step for maximizing the value of numerical simulations for future prediction and the development of effective control strategies. We propose the iterative stochastic ensemble method (ISEM) as a general method for parameter estimation based on stochastic estimation of gradients using an ensemble of directional derivatives. ISEM eliminates the need for adjoint coding and deals with the numerical simulator as a blackbox. The proposed method employs directional derivatives within a Gauss–Newton iteration. The update equation in ISEM resembles the update step in ensemble Kalman filter, however the inverse of the output covariance matrix in ISEM is regularized using standard truncated singular value decomposition or Tikhonov regularization. We also investigate the performance of a set of shrinkage based covariance estimators within ISEM. The proposed method is successfully applied on several nonlinear parameter estimation problems for subsurface flow models. The efficiency of the proposed algorithm is demonstrated by the small size of utilized ensembles and in terms of error convergence rates.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Inverse transport calculations in optical imaging with subspace optimization algorithms

Inverse boundary value problems for the radiative transport equation play an important role in optics-based medical imaging techniques such as diffuse optical tomography (DOT) and fluorescence optical tomography (FOT). Despite the rapid progress in the mathematical theory and numerical computation of these inverse problems in recent years, developing robust and efficient reconstruction algorithms remains a challenging task and an active research topic. We propose here a robust reconstruction method that is based on subspace minimization techniques. The method splits the unknown transport solution (or a functional of it) into low-frequency and high-frequency components, and uses singular value decomposition to analytically recover part of low-frequency information. Minimization is then applied to recover part of the high-frequency components of the unknowns. We present some numerical simulations with synthetic data to demonstrate the performance of the proposed algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Regularization of soft-X-ray imaging in the DIII-D tokamak

We developed an image inversion scheme for the soft X-ray imaging system (SXRIS) diagnostic at the DIII-D tokamak in order to obtain the local soft X-ray emission at a poloidal cross-section from the spatially line-integrated image taken by the SXRIS camera. The scheme uses the Tikhonov regularization method since the inversion problem is generally ill-posed. The regularization technique uses the generalized singular value decomposition to determine a solution that depends on a free regularization parameter. The latter has to be chosen carefully, and the so called {\it L-curve} method to find the optimum regularization parameter is outlined. A representative test image is used to study the properties of the inversion scheme with respect to inversion accuracy, amount/strength of regularization, image noise and image resolution. Moreover, the optimum inversion parameters are identified, while the L-curve method successfully computes the optimum regularization parameter. Noise is found to be the most limiting issue, but sufficient regularization is still possible at noise to signal ratios up to 10%-15%. Finally, the inversion scheme is applied to measured SXRIS data and the line-integrated SXRIS image is successfully inverted.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗