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At least 847 records · Page 47

Numerical Study of Multigrid Methods with Various Smoothers for the Elliptical Grid Generation Equations

A robust solver for the elliptic grid generation equations is sought via a numerical study. The system of PDEs is discretized with finite differences, and multigrid methods are applied to the resulting nonlinear algebraic equations. Multigrid iterations are compared with respect to the robustness and efficiency. Different smoothers are tried to improve the convergence of iterations. The methods are applied to four 2D grid generation problems over a wide range of grid distortions. The results of the study help to select smoothing schemes and the overall multigrid procedures for elliptic grid generation.

Golik, W. L.↗

Development of a tomographic reconstruction method for axisymmetric D α emission profiles in the ITER plasma boundary

A tomographic method for reconstructing the axially symmetric D α emission profile in the ITER scrape-off layer and divertor from D α intensity measurements in the fields of view (FoV) of Vis/IR TV and Divertor Impurity Monitor diagnostics is under development. The method takes into account the strong background signal due to stray light from divertor produced by reflections from the metal wall of the vacuum chamber. The method allows to filter out the reflections in D α signals measured in the main chamber. Here, the accuracy of this method is tested within the framework of a synthetic diagnostic, which uses the Raysect and Cherab numerical codes for ray-tracing simulations. The D α emission profiles, simulated with the SOLPS and OEDGE codes, are used as synthetic experimental data. Uncertainty in light reflection properties of the first wall (FW) is the major factor affecting the accuracy of the D α emission reconstruction. The dependence on the uncertainty in the FW surface roughness and on the ratio of diffusive to specular reflection of the error in recovering useful D α signals (the direct light without reflections) in the FoV of the ITER main chamber H-alpha and Visible Spectroscopy Diagnostic is obtained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Iterative-Transform Phase Retrieval Using Adaptive Diversity

A phase-diverse iterative-transform phase-retrieval algorithm enables high spatial-frequency, high-dynamic-range, image-based wavefront sensing. [The terms phase-diverse, phase retrieval, image-based, and wavefront sensing are defined in the first of the two immediately preceding articles, Broadband Phase Retrieval for Image-Based Wavefront Sensing (GSC-14899-1).] As described below, no prior phase-retrieval algorithm has offered both high dynamic range and the capability to recover high spatial-frequency components. Each of the previously developed image-based phase-retrieval techniques can be classified into one of two categories: iterative transform or parametric. Among the modifications of the original iterative-transform approach has been the introduction of a defocus diversity function (also defined in the cited companion article). Modifications of the original parametric approach have included minimizing alternative objective functions as well as implementing a variety of nonlinear optimization methods. The iterative-transform approach offers the advantage of ability to recover low, middle, and high spatial frequencies, but has disadvantage of having a limited dynamic range to one wavelength or less. In contrast, parametric phase retrieval offers the advantage of high dynamic range, but is poorly suited for recovering higher spatial frequency aberrations. The present phase-diverse iterative transform phase-retrieval algorithm offers both the high-spatial-frequency capability of the iterative-transform approach and the high dynamic range of parametric phase-recovery techniques. In implementation, this is a focus-diverse iterative-transform phaseretrieval algorithm that incorporates an adaptive diversity function, which makes it possible to avoid phase unwrapping while preserving high-spatial-frequency recovery. The algorithm includes an inner and an outer loop (see figure). An initial estimate of phase is used to start the algorithm on the inner loop, wherein multiple intensity images are processed, each using a different defocus value. The processing is done by an iterative-transform method, yielding individual phase estimates corresponding to each image of the defocus-diversity data set. These individual phase estimates are combined in a weighted average to form a new phase estimate, which serves as the initial phase estimate for either the next iteration of the iterative-transform method or, if the maximum number of iterations has been reached, for the next several steps, which constitute the outerloop portion of the algorithm. The details of the next several steps must be omitted here for the sake of brevity. The overall effect of these steps is to adaptively update the diversity defocus values according to recovery of global defocus in the phase estimate. Aberration recovery varies with differing amounts as the amount of diversity defocus is updated in each image; thus, feedback is incorporated into the recovery process. This process is iterated until the global defocus error is driven to zero during the recovery process. The amplitude of aberration may far exceed one wavelength after completion of the inner-loop portion of the algorithm, and the classical iterative transform method does not, by itself, enable recovery of multi-wavelength aberrations. Hence, in the absence of a means of off-loading the multi-wavelength portion of the aberration, the algorithm would produce a wrapped phase map. However, a special aberration-fitting procedure can be applied to the wrapped phase data to transfer at least some portion of the multi-wavelength aberration to the diversity function, wherein the data are treated as known phase values. In this way, a multiwavelength aberration can be recovered incrementally by successively applying the aberration-fitting procedure to intermediate wrapped phase maps. During recovery, as more of the aberration is transferred to the diversity function following successive iterations around the ter loop, the estimated phase ceases to wrap in places where the aberration values become incorporated as part of the diversity function. As a result, as the aberration content is transferred to the diversity function, the phase estimate resembles that of a reference flat.

Dean, Bruce H.↗

Encoders for block-circulant LDPC codes

In this paper, we present two encoding methods for block-circulant LDPC codes. The first is an iterative encoding method based on the erasure decoding algorithm, and the computations required are well organized due to the block-circulant structure of the parity check matrix. The second method uses block-circulant generator matrices, and the encoders are very similar to those for recursive convolutional codes. Some encoders of the second type have been implemented in a small Field Programmable Gate Array (FPGA) and operate at 100 Msymbols/second.

encoders↗

Macromolecular phasing using diffraction from multiple crystal forms

A phasing algorithm for macromolecular crystallography is proposed that utilizes diffraction data from multiple crystal forms – crystals of the same molecule with different unit-cell packings (different unit-cell parameters or space-group symmetries). The approach is based on the method of iterated projections, starting with no initial phase information. The practicality of the method is demonstrated by simulation using known structures that exist in multiple crystal forms, assuming some information on the molecular envelope and positional relationships between the molecules in the different unit cells. With incorporation of new or existing methods for determination of these parameters, the approach has potential as a method for ab initio phasing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Acceleration of GPU-based Krylov solvers via data transfer reduction

Krylov subspace iterative solvers are often the method of choice when solving large sparse linear systems. At the same time, hardware accelerators such as graphics processing units continue to offer significant floating point performance gains for matrix and vector computations through easy-to-use libraries of computational kernels. However, as these libraries are usually composed of a well optimized but limited set of linear algebra operations, applications that use them often fail to reduce certain data communications, and hence fail to leverage the full potential of the accelerator. In this study, we target the acceleration of Krylov subspace iterative methods for graphics processing units, and in particular the Biconjugate Gradient Stabilized solver that significant improvement can be achieved by reformulating the method to reduce data-communications through application-specific kernels instead of using the generic BLAS kernels, e.g. as provided by NVIDIA’s cuBLAS library, and by designing a graphics processing unit specific sparse matrix-vector product kernel that is able to more efficiently use the graphics processing unit’s computing power. Furthermore, we derive a model estimating the performance improvement, and use experimental data to validate the expected runtime savings. Finally, considering that the derived implementation achieves significantly higher performance, we assert that similar optimizations addressing algorithm structure, as well as sparse matrix-vector, are crucial for the subsequent development of high-performance graphics processing units accelerated Krylov subspace iterative methods.

97 MATHEMATICS AND COMPUTING↗

Improved Multi-Partition Method for Line-Based Iteration Schemes

Regular 3-dimensional multi-partitioning has been shown to be an efficient domain decomposition method for the parallelization of ADI-type algorithms on MIMD architectures. This paper discusses further improvements that can be made to the scheme that increase the granularity and reduce the communication density. These improvements, which are illustrated by simulation and parallel benchmark results, make multi-partitioning the method of choice on systems with relatively poor communication capabilities, such as networks of workstations, or on massively parallel machines with very fast processors, such as the IBM SP2.

Smith, Merritt H.↗

SELF-CONSISTENT ORBITS AND PHYSICAL PROPERTIES FOR EIGHT SINGLE-LINED SPECTROSCOPIC BINARIES

For single-lined spectroscopic binaries (SB1s), self-consistent orbits can be determined via a simultaneous fit including both radial velocity data and the Hipparcos Intermediate Astrometric Data. Using the ratio λ of the semimajor axes of the photocenter to the primary orbits, the present paper develops an iterative fitting method. First, an initial orbit of an SB1 is determined with the assumption that λ equals 1. On the basis of this orbit, we use a stellar evolutionary model to distribute the total mass and luminosity to the primary and the secondary and update λ from the component mass and luminosity ratios. Then the orbit is updated using the updated value of λ, which completes a step of the iterative process. If this process is convergent, the resulting orbit is compatible with the physical properties of component stars. By using this method, the orbital solutions of eight SB1s as well as the physical properties are determined. We find that the component magnitude differences of these systems are very large, except for HIP 7143 and 45333. This suggests that only the secondaries of the two systems can be resolved with the present-day observational techniques, which is in agreement with recent observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Sparsity Prior Computed Tomography Reconstruction Using a Nonstandard Simultaneous X-ray Acquisition Model

In this article we systematically evaluate the performance of several state-of-the-art, sparsity prior computed tomography (CT) reconstruction algorithms, using a nonstandard simultaneous x-ray acquisition method. Sparsity prior is an efficient strategy in CT reconstruction, relying on iterative algorithms such as the algebraic reconstruction technique to produce a crude reconstruction, based on which sparse approximation is performed. The simultaneous x-ray acquisition model ensures rapid capture of x-rays; however, it captures a significantly fewer number of attenuation measurements, and the projections are nonuniform. We propose a weighted average filter in the reconstruction framework to ensure better quality reconstruction by minimizing the effect of nonuniform projections. The performance of the state-of-the-art algorithms is analyzed with and without weighted averaging before sparse approximation, in simulated and real environments. Experiments in the simulated environment are conducted with and without the presence of noise. From the results, it is evident that sparsity prior algorithms are capable of producing cross-sectional reconstruction using the simultaneous x-ray acquisition model, and better reconstruction quality is achievable with the incorporation of weighted averaging in the reconstruction framework.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Implications of CT noise and artifacts for quantitative {sup 99m}Tc SPECT/CT imaging

Purpose: This paper evaluates the effects of computed tomography (CT) image noise and artifacts on quantitative single-photon emission computed-tomography (SPECT) imaging, with the aim of establishing an appropriate range of CT acquisition parameters for low-dose protocols with respect to accurate SPECT attenuation correction (AC). Methods: SPECT images of two geometric and one anthropomorphic phantom were reconstructed iteratively using CT scans acquired at a range of dose levels (CTDI{sub vol} = 0.4 to 46 mGy). Resultant SPECT image quality was evaluated by comparing mean signal, background noise, and artifacts to SPECT images reconstructed using the highest dose CT for AC. Noise injection was performed on linear-attenuation (μ) maps to determine the CT noise threshold for accurate AC. Results: High levels of CT noise (σ ∼ 200–400 HU) resulted in low μ-maps noise (σ ∼ 1%–3%). Noise levels greater than ∼10% in 140 keV μ-maps were required to produce visibly perceptible increases of ∼15% in {sup 99m}Tc SPECT images. These noise levels would be achieved at low CT dose levels (CTDI{sub vol} = 4 μGy) that are over 2 orders of magnitude lower than the minimum dose for diagnostic CT scanners. CT noise could also lower (bias) the expected μ values. The relative error in reconstructed SPECT signal trended linearly with the relative shift in μ. SPECT signal was, on average, underestimated in regions corresponding with beam-hardening artifacts in CT images. Any process that has the potential to change the CT number of a region by ∼100 HU (e.g., misregistration between CT images and SPECT images due to motion, the presence of contrast in CT images) could introduce errors in μ{sub 140} {sub keV} on the order of 10%, that in turn, could introduce errors on the order of ∼10% into the reconstructed {sup 99m}Tc SPECT image. Conclusions: The impact of CT noise on SPECT noise was demonstrated to be negligible for clinically achievable CT parameters. Because CT dose levels that affect SPECT quantification is low (CTDI{sub vol} ∼ 4 μGy), the low dose limit for the CT exam as part of SPECT/CT will be guided by CT image quality requirements for anatomical localization and artifact reduction. A CT technique with higher kVp in combination with lower mAs is recommended when low-dose CT images are used for AC to minimize beam-hardening artifacts.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

The preprocessed doacross loop

Dependencies between loop iterations cannot always be characterized during program compilation. Doacross loops typically make use of a-priori knowledge of inter-iteration dependencies to carry out required synchronizations. A type of doacross loop is proposed that allows the scheduling of iterations of a loop among processors without advance knowledge of inter-iteration dependencies. The method proposed for loop iterations requires that parallelizable preprocessing and postprocessing steps be carried out during program execution.

Saltz, Joel H.↗

Helicopter trim analysis by shooting and finite element methods with optimally damped Newton iterations

Helicopter trim settings of periodic initial state and control inputs are investigated for convergence of Newton iteration in computing the settings sequentially and in parallel. The trim analysis uses a shooting method and a weak version of two temporal finite element methods with displacement formulation and with mixed formulation of displacements and momenta. These three methods broadly represent two main approaches of trim analysis: adaptation of initial-value and finite element boundary-value codes to periodic boundary conditions, particularly for unstable and marginally stable systems. In each method, both the sequential and in-parallel schemes are used, and the resulting nonlinear algebraic equations are solved by damped Newton iteration with an optimally selected damping parameter. The impact of damped Newton iteration, including earlier-observed divergence problems in trim analysis, is demonstrated by the maximum condition number of the Jacobian matrices of the iterative scheme and by virtual elimination of divergence. The advantages of the in-parallel scheme over the conventional sequential scheme are also demonstrated.

Achar, N. S.↗

CMFD and coarse-mesh DSA

The Coarse Mesh Finite Difference (CMFD) and Diffusion Synthetic Acceleration (DSA) methods are two widely-used, independently-developed acceleration methods for iteratively solving deterministic particle transport simulations. In this paper we show that these methods are related in the following way: if the standard notion of DSA as a 'fine mesh' method is generalized to that of a coarse mesh method, then the linearized form of CMFD is algebraically equivalent to a coarse mesh form of DSA. Also, we demonstrate theoretically (via Fourier analysis) and computationally that CMFD and coarse mesh DSA have nearly the same convergence properties. (authors)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Control Effector Unsaturation Modification to the Cascading Generalized Inverse Control Allocation Algorithm

Control allocation has sufficiently progressed such that it is used in front-line fighter aircraft such as the F-18Superhornet and the F-35 Joint Strike Fighter. Published literature shows the F-35 utilizes Nonlinear Dynamic Inversion in conjunction with an Effector Blender that incorporates the Cascading Generalized Inverse control allocation algorithm. While the Cascading Generalized Inverse algorithm is one of the premier generalized inverse methods, it does suffer from three deficiencies. In particular, it suffers from an inability to achieve some desired outcomes, it intermittently provides non-optimal solutions and generally fails to preserve moment direction near maximal achievable moments. An effector unsaturation method based on a Scalar Difference Quadratic was first introduced and implemented on the iterative Prediction Method control allocation algorithm which was shown to consistently achieve optimal (weighted) control allocation solutions throughout the entire Attainable Moment Set while preserving desired moment direction. In this paper, the shortcomings of the Cascading Generalized Inverse algorithm are addressed by augmenting the baseline algorithm with Scalar Difference Quadratic unsaturation identification and location at each iteration. Numerical case studies demonstrate that the Modified Cascading Generalized Inverse algorithm resolves the aforementioned deficiencies.

Michael J Acheson↗

Active space selection with self-healing diffusion Monte Carlo algorithms for periodic solids

Multideterminant Diffusion Monte Carlo (DMC) displays improved accuracy over single determinant DMC. Self-Healing Diffusion Monte Carlo (SHDMC) is a DMC based method that iteratively improves a multideterminant trial wavefunction. Although configuration interaction or complete active space (CAS) methods are very accurate and computationally feasible for many systems, they are not optimal for application to solids. SHDMC is accurate and designed for application to solids, so developing SHDMC based active space selection algorithms is a worthy endeavor. Here, we present and compare active space selection algorithms that are designed for use in conjunction with SHDMC, without relying on external approaches. For benchmarking, we calculated the ground state energy of a small unit cell of graphene and compared the results with a complete basis set extrapolated selected CI and a reference SHDMC trajectory. We found that systematically expanding the active space using an “auto-branching” algorithm optimally balances accuracy with computational practicality. To the best of our knowledge, this is the first work that demonstrates completely self-contained DMC-based active space selection algorithms that do not depend on external methods for determinant selection.

Spanedda, Nicole [ORNL]↗