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DOE OSTI2016

Denoised Wigner distribution deconvolution via low-rank matrix completion

Wigner distribution deconvolution (WDD) is a decades-old method for recovering phase from intensity measurements. Although the technique offers an elegant linear solution to the quadratic phase retrieval problem, it has seen limited adoption due to its high computational/memory requirements and the fact that the technique often exhibits high noise sensitivity. Here, we propose a method for noise suppression in WDD via low-rank noisy matrix completion. Our technique exploits the redundancy of an object’s phase space to denoise its WDD reconstruction. We show in model calculations that our technique outperforms other WDD algorithms as well as modern iterative methods for phase retrieval such as ptychography. Here, our results suggest that a class of phase retrieval techniques relying on regularized direct inversion of ptychographic datasets (instead of iterative reconstruction techniques) can provide accurate quantitative phase information in the presence of high levels of noise.

47 OTHER INSTRUMENTATION↗

NASA NTRS1976

On a numerical solution of the supersonic panel flutter eigenproblem

An automated digital computer procedure is presented in this paper which enables efficient solution of the eigenvalue problem associated with the supersonic panel flutter phenomena. The step-by-step incremental solution procedure is based on an inverse iteration technique which effectively utilizes solution results from the previous step in determining such results during the current solution step. Also, the computations are limited to the determination of a few specific roots only, which are expected to contain the flutter mode, and this is achieved at each step without having to compute any other root. The structural discretization achieved by the finite-element method yields highly banded stiffness, mass, and aerodynamic matrices; the aerodynamic matrix evaluated by the linearized piston theory is real but unsymmetric in nature. The solution algorithm presented in this paper fully exploits the banded form of the associated matrices, and the resulting computer program written in FORTRAN V for the JPL UNIVAC 1108 computer proves to be most efficient and economical when compared to existing procedures of such analysis. Numerical results are presented for a two-dimensional panel flutter problem.

Gupta, K. K.↗

DOE OSTI2016

Quantum learning of classical stochastic processes: The completely positive realization problem

Among several tasks in Machine Learning, a specially important one is the problem of inferring the latent variables of a system and their causal relations with the observed behavior. A paradigmatic instance of this is the task of inferring the hidden Markov model underlying a given stochastic process. This is known as the positive realization problem (PRP), [L. Benvenuti and L. Farina, IEEE Trans. Autom. Control 49(5), 651–664 (2004)] and constitutes a central problem in machine learning. The PRP and its solutions have far-reaching consequences in many areas of systems and control theory, and is nowadays an important piece in the broad field of positive systems theory. We consider the scenario where the latent variables are quantum (i.e., quantum states of a finite-dimensional system) and the system dynamics is constrained only by physical transformations on the quantum system. The observable dynamics is then described by a quantum instrument, and the task is to determine which quantum instrument — if any — yields the process at hand by iterative application. We take as a starting point the theory of quasi-realizations, whence a description of the dynamics of the process is given in terms of linear maps on state vectors and probabilities are given by linear functionals on the state vectors. This description, despite its remarkable resemblance with the hidden Markov model, or the iterated quantum instrument, is however devoid of any stochastic or quantum mechanical interpretation, as said maps fail to satisfy any positivity conditions. The completely positive realization problem then consists in determining whether an equivalent quantum mechanical description of the same process exists. We generalize some key results of stochastic realization theory, and show that the problem has deep connections with operator systems theory, giving possible insight to the lifting problem in quotient operator systems. Our results have potential applications in quantum machine learning, device-independent characterization and reverse-engineering of stochastic processes and quantum processors, and more generally, of dynamical processes with quantum memory [M. Guţă, Phys. Rev. A 83(6), 062324 (2011); M. Guţă and N. Yamamoto, e-print http://arxiv.org/abs/1303.3771 (2013)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Preconditioned least‐squares Petrov–Galerkin reduced order models

Abstract In this article, we introduce a methodology for improving the accuracy and efficiency of reduced order models (ROMs) constructed using the least‐squares Petrov–Galerkin (LSPG) projection method through the introduction of preconditioning. Unlike prior related work, which focuses on preconditioning the linear systems arising within the ROM numerical solution procedure to improve linear solver performance, our approach leverages a preconditioning matrix directly within the minimization problem underlying the LSPG formulation. Applying preconditioning in this way has the potential to improve ROM accuracy for several reasons. First, preconditioning the LSPG formulation changes the norm defining the residual minimization, which can improve the residual‐based stability constant bounding the ROM solution's error. The incorporation of a preconditioner into the LSPG formulation can have the additional effect of scaling the components of the residual being minimized to make them roughly of the same magnitude, which can be beneficial when applying the LSPG method to problems with disparate scales (e.g., dimensional equations, multi‐physics problems). Importantly, we demonstrate that an “ideal preconditioned” LSPG ROM (a ROM in which the preconditioner is the inverse of the Jacobian of its corresponding full order model) emulates projection of the full order model solution increment onto the reduced basis. This quantity defines a lower bound on the error of a ROM solution for a given reduced basis. By designing preconditioners that approximate the Jacobian inverse—as is common in designing preconditioners for solving linear systems—it is possible to obtain a ROM whose error approaches this lower bound. The proposed approach is evaluated on several mechanical and thermo‐mechanical problems implemented within the Albany HPC code and run in the predictive regime, with prediction across material parameter space. We demonstrate numerically that the introduction of simple Jacobi, Gauss‐Seidel, and ILU preconditioners into the proper orthogonal decomposition/LSPG formulation reduces significantly the ROM solution error, the reduced Jacobian condition number, the number of nonlinear iterations required to reach convergence, and the wall time (thereby improving efficiency). Moreover, our numerical results reveal that the introduction of preconditioning can deliver a robust and accurate solution for test cases in which the unpreconditioned LSPG method fails to converge.

Lindsay, Payton↗

DOE OSTI2018

A multitree approach for global solution of ACOPF problems using piecewise outer approximations

Electricity markets rely on the rapid solution of the optimal power flow (OPF) problem to determine generator power levels and set nodal prices. Traditionally, the OPF problem has been formulated using linearized, approximate models, ignoring nonlinear alternating current (AC) physics. These approaches do not guarantee global optimality or even feasibility in the real ACOPF problem. We introduce an outer-approximation approach to solve the ACOPF problem to global optimality based on alternating solution of upper- and lower-bounding problems. The lower-bounding problem is a piecewise relaxation based on strong second-order cone relaxations of the ACOPF, and these piecewise relaxations are selectively refined at each major iteration through increased variable domain partitioning. Our approach is able to efficiently solve all but one of the test cases considered to an optimality gap below 0.1%. This approach opens the door for global solution of MINLP problems with AC power flow equations.

42 ENGINEERING↗

DOE OSTI2024

A note on higher-order and nonlinear limiting approaches for continuously bounds-preserving discontinuous Galerkin methods

In Dzanic (2024), a limiting approach for high-order discontinuous Galerkin schemes was introduced which allowed for imposing constraints on the solution continuously (i.e., everywhere within the element). While exact for linear constraint functionals, this approach only imposed a sufficient (but not the minimum necessary) amount of limiting for nonlinear constraint functionals. This short note shows how this limiting approach can be extended to allow exactness for general nonlinear quasiconcave constraint functionals through a nonlinear limiting procedure, reducing unnecessary numerical dissipation. Finally, some examples are shown for nonlinear pressure and entropy constraints in the compressible gas dynamics equations, where both analytic and iterative approaches are used.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1996

Algebraic Multigrid by Smoothed Aggregation for Second and Fourth Order Elliptic Problems

Multigrid methods are very efficient iterative solvers for system of algebraic equations arising from finite element and finite difference discretization of elliptic boundary value problems. The main principle of multigrid methods is to complement the local exchange of information in point-wise iterative methods by a global one utilizing several related systems, called coarse levels, with a smaller number of variables. The coarse levels are often obtained as a hierarchy of discretizations with different characteristic meshsizes, but this requires that the discretization is controlled by the iterative method. To solve linear systems produced by existing finite element software, one needs to create an artificial hierarchy of coarse problems. The principal issue is then to obtain computational complexity and approximation properties similar to those for nested meshes, using only information in the matrix of the system and as little extra information as possible. Such algebraic multigrid method that uses the system matrix only was developed by Ruge. The prolongations were based on the matrix of the system by partial solution from given values at selected coarse points. The coarse grid points were selected so that each point would be interpolated to via so-called strong connections. Our approach is based on smoothed aggregation introduced recently by Vanek. First the set of nodes is decomposed into small mutually disjoint subsets. A tentative piecewise constant interpolation (in the discrete sense) is then defined on those subsets as piecewise constant for second order problems, and piecewise linear for fourth order problems. The prolongation operator is then obtained by smoothing the output of the tentative prolongation and coarse level operators are defined variationally.

Vanek, Petr↗

DOE OSTI2017

Monte Carlo Perturbation Theory Estimates of Sensitivities to System Dimensions

Here, Monte Carlo methods are developed using adjoint-based perturbation theory and the differential operator method to compute the sensitivities of the k-eigenvalue, linear functions of the flux (reaction rates), and bilinear functions of the forward and adjoint flux (kinetics parameters) to system dimensions for uniform expansions or contractions. The calculation of sensitivities to system dimensions requires computing scattering and fission sources at material interfaces using collisions occurring at the interface—which is a set of events with infinitesimal probability. Kernel density estimators are used to estimate the source at interfaces using collisions occurring near the interface. The methods for computing sensitivities of linear and bilinear ratios are derived using the differential operator method and adjoint-based perturbation theory and are shown to be equivalent to methods previously developed using a collision history–based approach. The methods for determining sensitivities to system dimensions are tested on a series of fast, intermediate, and thermal critical benchmarks as well as a pressurized water reactor benchmark problem with iterated fission probability used for adjoint-weighting. The estimators are shown to agree within 5% and 3σ of reference solutions obtained using direct perturbations with central differences for the majority of test problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2002

Higher Order, Hybrid BEM/FEM Methods Applied to Antenna Modeling

In this presentation, the authors address topics relevant to higher order modeling using hybrid BEM/FEM formulations. The first of these is the limitation on convergence rates imposed by geometric modeling errors in the analysis of scattering by a dielectric sphere. The second topic is the application of an Incomplete LU Threshold (ILUT) preconditioner to solve the linear system resulting from the BEM/FEM formulation. The final tOpic is the application of the higher order BEM/FEM formulation to antenna modeling problems. The authors have previously presented work on the benefits of higher order modeling. To achieve these benefits, special attention is required in the integration of singular and near-singular terms arising in the surface integral equation. Several methods for handling these terms have been presented. It is also well known that achieving ~he high rates of convergence afforded by higher order bases may als'o require the employment of higher order geometry models. A number of publications have described the use of quadratic elements to model curved surfaces. The authors have shown in an EFIE formulation, applied to scattering by a PEC .sphere, that quadratic order elements may be insufficient to prevent the domination of modeling errors. In fact, on a PEC sphere with radius r = 0.58 Lambda(sub 0), a quartic order geometry representation was required to obtain a convergence benefi.t from quadratic bases when compared to the convergence rate achieved with linear bases. Initial trials indicate that, for a dielectric sphere of the same radius, - requirements on the geometry model are not as severe as for the PEC sphere. The authors will present convergence results for higher order bases as a function of the geometry model order in the hybrid BEM/FEM formulation applied to dielectric spheres. It is well known that the system matrix resulting from the hybrid BEM/FEM formulation is ill -conditioned. For many real applications, a good preconditioner is required to obtain usable convergence from an iterative solver. The authors have examined the use of an Incomplete LU Threshold (ILUT) preconditioner . to solver linear systems stemming from higher order BEM/FEM formulations in 2D scattering problems. Although the resulting preconditioner provided aD excellent approximation to the system inverse, its size in terms of non-zero entries represented only a modest improvement when compared with the fill-in associated with a sparse direct solver. Furthermore, the fill-in of the preconditioner could not be substantially reduced without the occurrence of instabilities. In addition to the results for these 2D problems, the authors will present iterative solution data from the application of the ILUT preconditioner to 3D problems.

Fink, P. W.↗

DOE OSTI2014

WE-G-18A-03: Cone Artifacts Correction in Iterative Cone Beam CT Reconstruction

Purpose: For iterative reconstruction (IR) in cone-beam CT (CBCT) imaging, data truncation along the superior-inferior (SI) direction causes severe cone artifacts in the reconstructed CBCT volume images. Not only does it reduce the effective SI coverage of the reconstructed volume, it also hinders the IR algorithm convergence. This is particular a problem for regularization based IR, where smoothing type regularization operations tend to propagate the artifacts to a large area. It is our purpose to develop a practical cone artifacts correction solution. Methods: We found it is the missing data residing in the truncated cone area that leads to inconsistency between the calculated forward projections and measured projections. We overcome this problem by using FDK type reconstruction to estimate the missing data and design weighting factors to compensate the inconsistency caused by the missing data. We validate the proposed methods in our multi-GPU low-dose CBCT reconstruction system on multiple patients' datasets. Results: Compared to the FDK reconstruction with full datasets, while IR is able to reconstruct CBCT images using a subset of projection data, the severe cone artifacts degrade overall image quality. For head-neck case under a full-fan mode, 13 out of 80 slices are contaminated. It is even more severe in pelvis case under half-fan mode, where 36 out of 80 slices are affected, leading to inferior soft-tissue delineation. By applying the proposed method, the cone artifacts are effectively corrected, with a mean intensity difference decreased from ∼497 HU to ∼39HU for those contaminated slices. Conclusion: A practical and effective solution for cone artifacts correction is proposed and validated in CBCT IR algorithm. This study is supported in part by NIH (1R01CA154747-01)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Accelerated Deterministic Phonon Transport With Consistent Material Temperature and Intensities

Abstract We present a method for deterministically solving the frequency and temperature dependent phonon radiative transport (PRT) equation in the single-mode relaxation time (SMRT) approximation in the self-adjoint angular flux (SAAF) form. To handle the nonlinear coupling between the phonon intensities and the material temperature, we apply a linearization approach that is similar to one in thermal radiative transport. This procedure leads to the PRT equation with pseudo-scattering. The method presented includes acceleration of both the inner pseudo-scattering source iterations and outer temperature iteration with a gray diffusion synthetic acceleration (DSA) and Anderson acceleration, respectively. We use the finite-element method to discretize the PRT equation in space and the method of discrete ordinates (SN) for angular discretization. The proposed method is verified by a gray method of manufactured solutions problem and demonstrated on a problem using temperature and direction dependent multigroup data from lithium aluminate (LiAlO2). The iterative performance of the acceleration method in each test is then compared to the unaccelerated method.

Engineering↗

NASA NTRS2000

Computational Analysis for Rocket-Based Combined-Cycle Systems During Rocket-Only Operation

A series of Reynolds-averaged Navier-Stokes calculations were employed to study the performance of rocket-based combined-cycle systems operating in an all-rocket mode. This parametric series of calculations were executed within a statistical framework, commonly known as design of experiments. The parametric design space included four geometric and two flowfield variables set at three levels each, for a total of 729 possible combinations. A D-optimal design strategy was selected. It required that only 36 separate computational fluid dynamics (CFD) solutions be performed to develop a full response surface model, which quantified the linear, bilinear, and curvilinear effects of the six experimental variables. The axisymmetric, Reynolds-averaged Navier-Stokes simulations were executed with the NPARC v3.0 code. The response used in the statistical analysis was created from Isp efficiency data integrated from the 36 CFD simulations. The influence of turbulence modeling was analyzed by using both one- and two-equation models. Careful attention was also given to quantify the influence of mesh dependence, iterative convergence, and artificial viscosity upon the resulting statistical model. Thirteen statistically significant effects were observed to have an influence on rocket-based combined-cycle nozzle performance. It was apparent that the free-expansion process, directly downstream of the rocket nozzle, can influence the Isp efficiency. Numerical schlieren images and particle traces have been used to further understand the physical phenomena behind several of the statistically significant results.

Steffen, C. J., Jr.↗

DOE OSTI2016

A linear, separable two-parameter model for dual energy CT imaging of proton stopping power computation

Purpose: To evaluate the accuracy and robustness of a simple, linear, separable, two-parameter model (basis vector model, BVM) in mapping proton stopping powers via dual energy computed tomography (DECT) imaging. Methods: The BVM assumes that photon cross sections (attenuation coefficients) of unknown materials are linear combinations of the corresponding radiological quantities of dissimilar basis substances (i.e., polystyrene, CaCl{sub 2} aqueous solution, and water). The authors have extended this approach to the estimation of electron density and mean excitation energy, which are required parameters for computing proton stopping powers via the Bethe–Bloch equation. The authors compared the stopping power estimation accuracy of the BVM with that of a nonlinear, nonseparable photon cross section Torikoshi parametric fit model (VCU tPFM) as implemented by the authors and by Yang et al. [“Theoretical variance analysis of single- and dual-energy computed tomography methods for calculating proton stopping power ratios of biological tissues,” Phys. Med. Biol. 55, 1343–1362 (2010)]. Using an idealized monoenergetic DECT imaging model, proton ranges estimated by the BVM, VCU tPFM, and Yang tPFM were compared to International Commission on Radiation Units and Measurements (ICRU) published reference values. The robustness of the stopping power prediction accuracy of tissue composition variations was assessed for both of the BVM and VCU tPFM. The sensitivity of accuracy to CT image uncertainty was also evaluated. Results: Based on the authors’ idealized, error-free DECT imaging model, the root-mean-square error of BVM proton stopping power estimation for 175 MeV protons relative to ICRU reference values for 34 ICRU standard tissues is 0.20%, compared to 0.23% and 0.68% for the Yang and VCU tPFM models, respectively. The range estimation errors were less than 1 mm for the BVM and Yang tPFM models, respectively. The BVM estimation accuracy is not dependent on tissue type and proton energy range. The BVM is slightly more vulnerable to CT image intensity uncertainties than the tPFM models. Both the BVM and tPFM prediction accuracies were robust to uncertainties of tissue composition and independent of the choice of reference values. This reported accuracy does not include the impacts of I-value uncertainties and imaging artifacts and may not be achievable on current clinical CT scanners. Conclusions: The proton stopping power estimation accuracy of the proposed linear, separable BVM model is comparable to or better than that of the nonseparable tPFM models proposed by other groups. In contrast to the tPFM, the BVM does not require an iterative solving for effective atomic number and electron density at every voxel; this improves the computational efficiency of DECT imaging when iterative, model-based image reconstruction algorithms are used to minimize noise and systematic imaging artifacts of CT images.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2020

A fast implicit solver for semiconductor models in one space dimension

Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in semiconductor devices under a low-density assumption. At each implicit time step, the discretized system is formulated as a fixed-point problem, which can then be solved with a variety of methods. A key algorithmic component in all the approaches considered here is a recently developed sweeping algorithm for Vlasov-Poisson systems. A synthetic acceleration scheme has been implemented to accelerate the convergence of iterative solvers by using the solution to a drift-diffusion equation as a preconditioner. The performance of four iterative solvers and their accelerated variants has been compared on problems modeling semiconductor devices with various electron mean-free-path.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Polarized fusion, its Implications and plans for Direct Measurements in a Tokamak

Our energy-hungry world is burning. A long-term solution, possibly the only ultimate one, that is just approaching the horizon after decades of struggle, is fusion. Recent developments allow us to apply techniques from spin physics to advance the viability of this critical option. The cross section for the primary fusion fuel in a tokamak reactor, D+T /to sigma + n, would be increased by a factor of 1.5 if the fuels were spin polarized parallel to the local field. Simulations predict further non-linear power gains in large-scale machines such as ITER, due to increased alpha heating. These are significant enhancements that could lower the requirements needed to reach ignition and could be used to extend useful reactor life by compensating for neutron degradation of critical components. The potential realization of such benefits rests on the survival of spin polarization for periods comparable to the energy containment time. Interest in polarized fuel options had an initial peak of activity in the 1980s, where calculations predicted that polarizations could in fact survive a plasma environment. However, concerns were raised regarding the cumulative impacts of fuel recycling from the reactor walls. In addition, the technical challenges of preparing and handling polarized materials prevented any direct tests. Over the last several decades, this situation has changed dramatically. Detailed simulations of the ITER plasma have projected negligible wall recycling in a high power reactor. In addition, a combination of advances in three areas - polarized material technologies developed for nuclear and particle physics as well as for medical imaging, polymer pellets developed for Inertial Con nement, and cryogenic injection guns developed for delivering fuel into the core of tokamaks - have matured to the point where a direct in situ measurement is possible. A Jefferson Lab - DIII-D/General Atomics - University of Virginia collaboration is developing designs for a proof-of-principle polarization survival experiment using the isospin mirror reaction, D +3 He /to sigma + p, at the DIII-D tokamak in San Diego.

Sandorfi, Andrew↗

NASA NTRS1975

Theory of an airfoil equipped with a jet flap under low-speed flight conditions

A theory is developed, for the inviscid, incompressible flow past a thin airfoil equipped with a thin, part-span jet flap, by treating the induced flowfields of the jet and the wing separately and by obtaining the fully coupled solution in an iterative manner. Spanwise variation of the jet vortex strength is assumed to be elliptical in the analysis. Since the method considers the vorticity associated with the jet to be positioned on the computed locus of the jet, the downwash aft of the wing is evaluated as well as forces and moments on the wing. A lifting-surface theory is incorporated for the aerodynamics of the wing. Computational results are presented for a rectangular wing at momentum coefficients above 2.0 and compared with existing linear theories and experimental data. Good agreement is found for small angles of attack, jet-deflection angles, and jet-momentum coefficients where the linear theories and experimental data are applicable. Downwash data at a point in the vicinity of a control surface, the load distribution on the airfoil, and the jet, and the jet location are also presented for representative flight conditons.

Addessio, F. L.↗

NASA NTRS1988

MHOST: An efficient finite element program for inelastic analysis of solids and structures

An efficient finite element program for 3-D inelastic analysis of gas turbine hot section components was constructed and validated. A novel mixed iterative solution strategy is derived from the augmented Hu-Washizu variational principle in order to nodally interpolate coordinates, displacements, deformation, strains, stresses and material properties. A series of increasingly sophisticated material models incorporated in MHOST include elasticity, secant plasticity, infinitesimal and finite deformation plasticity, creep and unified viscoplastic constitutive model proposed by Walker. A library of high performance elements is built into this computer program utilizing the concepts of selective reduced integrations and independent strain interpolations. A family of efficient solution algorithms is implemented in MHOST for linear and nonlinear equation solution including the classical Newton-Raphson, modified, quasi and secant Newton methods with optional line search and the conjugate gradient method.

Nakazawa, S.↗

DOE OSTI2019

Transmission Constraint Filtering in Large-Scale Security-Constrained Unit Commitment

When solving the security-constrained unit commitment problem, one of the most complicating factors is handling the large number of transmission constraints, corresponding to both base case and N - 1 line contingency scenarios. Although it is well known that only a few of these constraints need to be enforced, identifying this critical subset of constraints efficiently remains a challenge. In this letter, we propose a novel and simple iterative contingency-screening procedure that is able to eliminate 99.4% of the constraints selected by existing iterative methods, allowing for the solution of much larger-scale problems. We report computational results in realistic instances with up to 6468 buses and 9000 transmission lines. Furthermore, the method was also independently implemented and evaluated at MISO, where it performed faster than alternative methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗