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At least 37 records · Page 2

Formally biorthogonal polynomials and a look-ahead Levinson algorithm for general Toeplitz systems

Systems of linear equations with Toeplitz coefficient matrices arise in many important applications. The classical Levinson algorithm computes solutions of Toeplitz systems with only O(n(sub 2)) arithmetic operations, as compared to O(n(sub 3)) operations that are needed for solving general linear systems. However, the Levinson algorithm in its original form requires that all leading principal submatrices are nonsingular. An extension of the Levinson algorithm to general Toeplitz systems is presented. The algorithm uses look-ahead to skip over exactly singular, as well as ill-conditioned leading submatrices, and, at the same time, it still fully exploits the Toeplitz structure. In our derivation of this algorithm, we make use of the intimate connection of Toeplitz matrices with formally biorthogonal polynomials.

Freund, Roland W.↗

A general concurrent algorithm for plasma particle-in-cell simulation codes

The general concurrent particle-in-cell (GCPIC) algorithm has been used to implement an electrostatic particle-in-cell code on a 32-node hypercube parallel computer. The GCPIC algorithm decomposes the PIC code by dividing the particle simulation physical domain into subdomains that are equal in number to the number of processors; all subdomains will accordingly possess approximately equal numbers of particles. The portion of the code which updates particle positions and velocities is nearly 100 percent efficient when the number of particles increases linearly with that of hypercube processors.

Liewer, Paulett C.↗

General quantum algorithms for Hamiltonian simulation with applications to a non-Abelian lattice gauge theory

With a focus on universal quantum computing for quantum simulation, and through the example of lattice gauge theories, we introduce rather general quantum algorithms that can efficiently simulate certain classes of interactions consisting of correlated changes in multiple (bosonic and fermionic) quantum numbers with non-trivial functional coefficients. In particular, we analyze diagonalization of Hamiltonian terms using a singular-value decomposition technique, and discuss how the achieved diagonal unitaries in the digitized time-evolution operator can be implemented. The lattice gauge theory studied is the SU(2) gauge theory in 1+1 dimensions coupled to one flavor of staggered fermions, for which a complete quantum-resource analysis within different computational models is presented. The algorithms are shown to be applicable to higher-dimensional theories as well as to other Abelian and non-Abelian gauge theories. The example chosen further demonstrates the importance of adopting efficient theoretical formulations: it is shown that an explicitly gauge-invariant formulation using loop, string, and hadron degrees of freedom simplifies the algorithms and lowers the cost compared with the standard formulations based on angular-momentum as well as the Schwinger-boson degrees of freedom. The loop-string-hadron formulation further retains the non-Abelian gauge symmetry despite the inexactness of the digitized simulation, without the need for costly controlled operations. Such theoretical and algorithmic considerations are likely to be essential in quantumly simulating other complex theories of relevance to nature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Implementation of Finite Volume based Navier Stokes Algorithm Within General Purpose Flow Network Code

This paper describes a finite volume based numerical algorithm that allows multi-dimensional computation of fluid flow within a system level network flow analysis. There are several thermo-fluid engineering problems where higher fidelity solutions are needed that are not within the capacity of system level codes. The proposed algorithm will allow NASA's Generalized Fluid System Simulation Program (GFSSP) to perform multi-dimensional flow calculation within the framework of GFSSP s typical system level flow network consisting of fluid nodes and branches. The paper presents several classical two-dimensional fluid dynamics problems that have been solved by GFSSP's multi-dimensional flow solver. The numerical solutions are compared with the analytical and benchmark solution of Poiseulle, Couette and flow in a driven cavity.

Schallhorn, Paul↗

Formulation and error analysis for a generalized image point correspondence algorithm

A Generalized Image Point Correspondence (GIPC) algorithm, which enables the determination of 3-D motion parameters of an object in a configuration where both the object and the camera are moving, is discussed. A detailed error analysis of this algorithm has been carried out. Furthermore, the algorithm was tested on both simulated and video-acquired data, and its accuracy was determined.

Shapiro, Linda↗

Verification of IEEE Compliant Subtractive Division Algorithms

A parameterized definition of subtractive floating point division algorithms is presented and verified using PVS. The general algorithm is proven to satisfy a formal definition of an IEEE standard for floating point arithmetic. The utility of the general specification is illustrated using a number of different instances of the general algorithm.

Miner, Paul S.↗

Finite-temperature many-body perturbation theory for anharmonic vibrations: Recursions, algebraic reduction, second-quantized reduction, diagrammatic rules, linked-diagram theorem, finite-temperature self-consistent field, and general-order algorithm

A unified theory is presented for finite-temperature many-body perturbation expansions of the anharmonic vibrational contributions to thermodynamic functions, i.e., the free energy, internal energy, and entropy. The theory is diagrammatically size-consistent at any order, as ensured by the linked-diagram theorem proved in this study, and, thus, applicable to molecular gases and solids on an equal footing. It is also a basis-set-free formalism, just like its underlying Bose–Einstein theory, capable of summing anharmonic effects over an infinite number of states analytically. It is formulated by the Rayleigh–Schrödinger-style recursions, generating sum-over-states formulas for the perturbation series, which unambiguously converges at the finite-temperature vibrational full-configuration-interaction limits. Two strategies are introduced to reduce these sum-over-states formulas into compact sum-over-modes analytical formulas. One is a purely algebraic method that factorizes each many-mode thermal average into a product of one-mode thermal averages, which are then evaluated by the thermal Born–Huang rules. Canonical forms of these rules are proposed, dramatically expediting the reduction process. The other is finite-temperature normal-ordered second quantization, which is fully developed in this study, including a proof of thermal Wick’s theorem and the derivation of a normal-ordered vibrational Hamiltonian at finite temperature. The latter naturally defines a finite-temperature extension of size-extensive vibrational self-consistent field theory. These reduced formulas can be represented graphically as Feynman diagrams with resolvent lines, which include anomalous and renormalization diagrams. Two order-by-order and one general-order algorithms of computing these perturbation corrections are implemented and applied up to the eighth order. The results show no signs of Kohn–Luttinger-type nonconvergence.

74 ATOMIC AND MOLECULAR PHYSICS↗

Full-Wave Analysis Of MMICs Using A Generalized Yee Algorithm

Improved method of temporal analysis of propagation of electro-magnetic waves in monolithic microwave integrated circuits (MMICs) implemented by generalized version of traditional Yee algorithm. Provides more accurate mathematical modeling for analysis and design of MMICs. Based on unstructured and otherwise irregular grids. Grids readily fitted to conductive and dielectric circuit elements having realistically complex three-dimensional shapes. Better for modeling important and geometrically complex phenomena like fringing fields.

Lansing, Faiza S.↗

A generalized reusable guidance algorithm for optimal aerobraking

A practical real-time guidance algorithm was developed for guiding aerobraking vehicles in such a way that the maximum heating rate, the maximum structural loads, and the post-aeropass delta-V requirements (for post-aeropass orbit insertion) are all minimized. The algorithm is general and reusable in the sense that a minimum of assumptions are made, thus minimizing the number of gains and mission-dependent parameters that must be laboriously determined prior to a particular mission. A particularly interesting feature is that inplane guidance performance is tuned by simply adjusting one mission-dependent parameter, the bank margin; similarly, the out-of-plane guidance performance is turned by simply adjusting a plane controller time constant. Other objectives in the algorithm development are simplicity, efficiency, and ease of use. The algorithm is developed for, but not necessarily restricted to, a single pass mission and a trimmed vehicle with a bank angle modulation as the method of trajectory control. Guidance performance is demonstrated via results obtained using this algorithm integrated into an aerobraking test-bed program. Comparisons are made with numerical results from a version of the aerobraking guidance algorithm that was to be flown onboard NASA's aeroassist flight experiment (AFE) vehicle. Promising results are obtained with a minimum of development effort.

Dukeman, G. A.↗

A generalized gradient algorithm for dynamic optimization

A gradient algorithm is developed that determines optimal trajectories with path equality constraints and terminal constraints. A generalized gradient is formed which improves both the performance index and the path equality constraints simultaneously. The algorithm is extended to treat terminal constraints by using Bryson's impulse response technique. The main features of this algorithm are its numerical stability and smooth convergence near the optimum.

Zhao, Yiyuan↗

Simultaneous iterations algorithm for general eigenvalue problems on parallel processors

The method of simultaneous iteration with shift is extended to extraction of m-eigenpairs of a general eigenvalue problem of large order n in a parallel processing environment. The algorithm combines the power method and the Jacobi technique, and reduces to performing four basic operations. Parallel implementation of the algorithm is discussed in detail. The analysis accounts for computation and communication costs, and utilizes a parallel processing architecture of the ensemble type. Expressions for the computational efficiency and speedup are defined as a function of the problem and hardware parameters. Selected representative problems exhibit efficiencies ranging from 60 to 98 percent.

Utku, S.↗

Solar Occultation Retrieval Algorithm Development

This effort addresses the comparison and validation of currently operational solar occultation retrieval algorithms, and the development of generalized algorithms for future application to multiple platforms. initial development of generalized forward model algorithms capable of simulating transmission data from of the POAM II/III and SAGE II/III instruments. Work in the 2" quarter will focus on: completion of forward model algorithms, including accurate spectral characteristics for all instruments, and comparison of simulated transmission data with actual level 1 instrument data for specific occultation events.

Lumpe, Jerry D.↗

Atmospheric River Detection Under Changing Seasonality and Mean-State Climate: ARTMIP Tier 2 Paleoclimate Experiments

Atmospheric rivers (ARs) are filamentary structures within the atmosphere that account for a substantial portion of poleward moisture transport and play an important role in Earth's hydroclimate. However, there is no one quantitative definition for what constitutes an atmospheric river, leading to uncertainty in quantifying how these systems respond to global change. This study seeks to better understand how different AR detection tools (ARDTs) respond to changes in climate states utilizing single-forcing climate model experiments under the aegis of the Atmospheric River Tracking Method Intercomparison Project (ARTMIP). We compare a simulation with an early Holocene orbital configuration and another with CO2 levels of the Last Glacial Maximum to a preindustrial control simulation to test how the ARDTs respond to changes in seasonality and mean climate state, respectively. We find good agreement among the algorithms in the AR response to the changing orbital configuration, with a poleward shift in AR frequency that tracks seasonal poleward shifts in atmospheric water vapor and zonal winds. In the low CO2 simulation, the algorithms generally agree on the sign of AR changes, but there is substantial spread in their magnitude, indicating that mean-state changes lead to larger uncertainty. This disagreement likely arises primarily from differences between algorithms in their thresholds for water vapor and its transport used for identifying ARs. These findings warrant caution in ARDT selection for paleoclimate and climate change studies in which there is a change to the mean climate state, as ARDT selection contributes substantial uncertainty in such cases.

Atmospheric river, paleoclimate↗

Kharitonov's theorem: Generalizations and algorithms

In 1978, the Russian mathematician V. Kharitonov published a remarkably simple necessary and sufficient condition in order that a rectangular parallelpiped of polynomials be a stable set. Here, stable is taken to mean that the polynomials have no roots in the closed right-half of the complex plane. The possibility of generalizing this result was studied by numerous authors. A set, Q, of polynomials is given and a necessary and sufficient condition that the set be stable is sought. Perhaps the most general result is due to Barmish who takes for Q a polytope and proceeds to construct a complicated nonlinear function, H, of the points in Q. With the notion of stability which was adopted, Barmish asks that the boundary of the closed right-half plane be swept, that the set G is considered = to (j(omega)(bar) - infinity is less than omega is less than infinity) and for each j(omega)(sigma)G, require H(delta) is greater than 0. Barmish's scheme has the merit that it describes a true generalization of Kharitonov's theorem. On the other hand, even when Q is a polyhedron, the definition of H requires that one do an optimization over the entire set of vertices, and then a subsequent optimization over an auxiliary parameter. In the present work, only the case where Q is a polyhedron is considered and the standard definition of stability described, is used. There are straightforward generalizations of the method to the case of discrete stability or to cases where certain root positions are deemed desirable. The cases where Q is non-polyhedral are less certain as candidates for the method. Essentially, a method of geometric programming was applied to the problem of finding maximum and minimum angular displacements of points in the Nyquist locus (Q(j x omega)(bar) - infinity is less than omega is less than infinity). There is an obvious connection with the boundary sweeping requirement of Barmish.

Rublein, George↗

A new algorithm for general multiobjective optimization

Described is a new technique for converting a constrained optimization problem to an unconstrained one, and a new method for multiobjective optimization based on that technique. The technique transforms the objective functions into goal constraints. The goal constraints are appended to the set of behavior constraints and the envelope of all functions in the set is searched for an unconstrained minimum. The technique may be categorized as a SUMT algorithm. In multiobjective applications, the approach has the advantage of locating a compromise minimum without the need to optimize for each individual objective function separately. The constrained to unconstrained conversion is described, followed by a description of the multiobjective problem. Two example problems are presented to demonstrate the robustness of the method.

Sobieszczanski-Sobieski, Jaroslaw↗

A new algorithm for general multiobjective optimization

The paper describes a new technique for converting a constrained optimization problem to an unconstrained one, and a new method for multiobjective optimization based on that technique. The technique transforms the objective functions into goal constraints. The goal constraints are appended to the set of behavior constraints, and the envelope of all functions in the set is searched for an unconstrained minimum. The technique can be categorized as a SUMT algorithm. In multiobjective applications, the approach has the advantage of locating a compromise minimum without the need to optimize for each individual objective function separately. The constrained to unconstrained conversion is described, followed by a description of the multiobjective problem. Two example problems are presented to demonstrate the robustness of the method.

Sobieszczanski-Sobieski, Jaroslaw↗

A general Bayesian algorithm for the autonomous alignment of beamlines

Autonomous methods to align beamlines can decrease the amount of time spent on diagnostics, and also uncover better global optima leading to better beam quality. The alignment of these beamlines is a high-dimensional expensive-to-sample optimization problem involving the simultaneous treatment of many optical elements with correlated and nonlinear dynamics. Bayesian optimization is a strategy of efficient global optimization that has proved successful in similar regimes in a wide variety of beamline alignment applications, though it has typically been implemented for particular beamlines and optimization tasks. In this paper, we present a basic formulation of Bayesian inference and Gaussian process models as they relate to multi-objective Bayesian optimization, as well as the practical challenges presented by beamline alignment. We show that the same general implementation of Bayesian optimization with special consideration for beamline alignment can quickly learn the dynamics of particular beamlines in an online fashion through hyperparameter fitting with no prior information. We present the implementation of a concise software framework for beamline alignment and test it on four different optimization problems for experiments on X-ray beamlines at the National Synchrotron Light Source II and the Advanced Light Source, and an electron beam at the Accelerator Test Facility, along with benchmarking on a simulated digital twin. We discuss new applications of the framework, and the potential for a unified approach to beamline alignment at synchrotron facilities.

47 OTHER INSTRUMENTATION↗