Search NASA⌕ Search

SEARCH · Search NASA

Results for “Sequential scheme”

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 235 records · Page 13

Sequential decoding in the presence of a noisy carrier reference

A new model for predicting the computational performance of a sequential decoder operating in a noisy carrier reference environment is described. The major difference between this model and previous models is that the new model characterizes the number of computations per frame as the sum of the computations resulting from a number of independent searches. This number of independent searches can then be considered as an effective frame length. When this computational model is averaged over noisy reference phase errors using a medium-rate interpolation scheme, the results are found to agree quite favorably with experimental measurements.

Lesh, J. R.↗

Sequential decoding in the presence of a noisy carrier reference

A new model for predicting the computational performance of a sequential decoder operating in a noisy carrier reference environment is described. The major difference between this model and previous models is that the new model characterizes the number of computations per frame as the sum of the computations resulting from a number of independent searches. This number of independent searches can then be considered as an effective frame length. When this computational model is averaged over noisy reference phase errors using a medium-rate interpolation scheme, the results are found to agree quite favorably with experimental measurements.

Lesh, J. R.↗

A performance study of sparse Cholesky factorization on INTEL iPSC/860

The problem of Cholesky factorization of a sparse matrix has been very well investigated on sequential machines. A number of efficient codes exist for factorizing large unstructured sparse matrices. However, there is a lack of such efficient codes on parallel machines in general, and distributed machines in particular. Some of the issues that are critical to the implementation of sparse Cholesky factorization on a distributed memory parallel machine are ordering, partitioning and mapping, load balancing, and ordering of various tasks within a processor. Here, we focus on the effect of various partitioning schemes on the performance of sparse Cholesky factorization on the Intel iPSC/860. Also, a new partitioning heuristic for structured as well as unstructured sparse matrices is proposed, and its performance is compared with other schemes.

Zubair, M.↗

Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy

Using standard hardware available in chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy, an experimental method is introduced to selectively extract from the microwave spectrum of an otherwise complicated multicomponent mixture a set of transitions due to a single component, thereby speeding spectral assignment. The method operates the broadband chirped-pulse used to excite the sample in the strong-field limit through a combination of high power and control of the sweep rate. A procedure is introduced that leads to selection of three transition frequencies that can be incorporated as a set of resonant sequential single-frequency microwave pulses that follow broadband chirped-pulse excitation, resulting in a reduction in the coherent signal from a set of transitions ascribable to the component of interest. The difference in the CP-FTMW spectrum with and without this set of multi-resonant single-frequency pulses produces a set of transitions that can confidently be assigned to a single component of the mixture, aiding the analysis of its spectrum. In conclusion, the scheme is applied to (i) selectively extract the spectrum of one of five singly 13 C-subsituted isotopologues of benzonitrile in natural abundance, (ii) obtain the microwave spectra of the two structural isomers (E)- and (Z)-phenylvinylnitrile, and (iii) obtain conformer-specific microwave spectra of methylbutyrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of Composite Cloud Service Processing with Virtual Machines

By leveraging virtual machine (VM) technology, we optimize cloud system performance based on refined resource allocation, in processing user requests with composite services. Our contribution is three-fold. (1) We devise a VM resource allocation scheme with a minimized processing overhead for task execution. (2) We comprehensively investigate the best-suited task scheduling policy with different design parameters. (3) We also explore the best-suited resource sharing scheme with adjusted divisible resource fractions on running tasks in terms of Proportional-share model (PSM), which can be split into absolute mode (called AAPSM) and relative mode (RAPSM). We implement a prototype system over a cluster environment deployed with 56 real VM instances, and summarized valuable experience from our evaluation. As the system runs in short supply, lightest workload first (LWF) is mostly recommended because it can minimize the overall response extension ratio (RER) for both sequential-mode tasks and parallel-mode tasks. In a competitive situation with over-commitment of resources, the best one is combining LWF with both AAPSM and RAPSM. It outperforms other solutions in the competitive situation, by 16 + % w.r.t. the worst-case response time and by 7.4 + % w.r.t. the fairness.

cloud resource allocation↗

Parallelized modelling and solution scheme for hierarchically scaled simulations

This two-part paper presents the results of a benchmarked analytical-numerical investigation into the operational characteristics of a unified parallel processing strategy for implicit fluid mechanics formulations. This hierarchical poly tree (HPT) strategy is based on multilevel substructural decomposition. The Tree morphology is chosen to minimize memory, communications and computational effort. The methodology is general enough to apply to existing finite difference (FD), finite element (FEM), finite volume (FV) or spectral element (SE) based computer programs without an extensive rewrite of code. In addition to finding large reductions in memory, communications, and computational effort associated with a parallel computing environment, substantial reductions are generated in the sequential mode of application. Such improvements grow with increasing problem size. Along with a theoretical development of general 2-D and 3-D HPT, several techniques for expanding the problem size that the current generation of computers are capable of solving, are presented and discussed. Among these techniques are several interpolative reduction methods. It was found that by combining several of these techniques that a relatively small interpolative reduction resulted in substantial performance gains. Several other unique features/benefits are discussed in this paper. Along with Part 1's theoretical development, Part 2 presents a numerical approach to the HPT along with four prototype CFD applications. These demonstrate the potential of the HPT strategy.

Padovan, Joe↗

Multi-GPU implementation of a VMAT treatment plan optimization algorithm

Purpose: Volumetric modulated arc therapy (VMAT) optimization is a computationally challenging problem due to its large data size, high degrees of freedom, and many hardware constraints. High-performance graphics processing units (GPUs) have been used to speed up the computations. However, GPU’s relatively small memory size cannot handle cases with a large dose-deposition coefficient (DDC) matrix in cases of, e.g., those with a large target size, multiple targets, multiple arcs, and/or small beamlet size. The main purpose of this paper is to report an implementation of a column-generation-based VMAT algorithm, previously developed in the authors’ group, on a multi-GPU platform to solve the memory limitation problem. While the column-generation-based VMAT algorithm has been previously developed, the GPU implementation details have not been reported. Hence, another purpose is to present detailed techniques employed for GPU implementation. The authors also would like to utilize this particular problem as an example problem to study the feasibility of using a multi-GPU platform to solve large-scale problems in medical physics. Methods: The column-generation approach generates VMAT apertures sequentially by solving a pricing problem (PP) and a master problem (MP) iteratively. In the authors’ method, the sparse DDC matrix is first stored on a CPU in coordinate list format (COO). On the GPU side, this matrix is split into four submatrices according to beam angles, which are stored on four GPUs in compressed sparse row format. Computation of beamlet price, the first step in PP, is accomplished using multi-GPUs. A fast inter-GPU data transfer scheme is accomplished using peer-to-peer access. The remaining steps of PP and MP problems are implemented on CPU or a single GPU due to their modest problem scale and computational loads. Barzilai and Borwein algorithm with a subspace step scheme is adopted here to solve the MP problem. A head and neck (H and N) cancer case is then used to validate the authors’ method. The authors also compare their multi-GPU implementation with three different single GPU implementation strategies, i.e., truncating DDC matrix (S1), repeatedly transferring DDC matrix between CPU and GPU (S2), and porting computations involving DDC matrix to CPU (S3), in terms of both plan quality and computational efficiency. Two more H and N patient cases and three prostate cases are used to demonstrate the advantages of the authors’ method. Results: The authors’ multi-GPU implementation can finish the optimization process within ∼1 min for the H and N patient case. S1 leads to an inferior plan quality although its total time was 10 s shorter than the multi-GPU implementation due to the reduced matrix size. S2 and S3 yield the same plan quality as the multi-GPU implementation but take ∼4 and ∼6 min, respectively. High computational efficiency was consistently achieved for the other five patient cases tested, with VMAT plans of clinically acceptable quality obtained within 23–46 s. Conversely, to obtain clinically comparable or acceptable plans for all six of these VMAT cases that the authors have tested in this paper, the optimization time needed in a commercial TPS system on CPU was found to be in an order of several minutes. Conclusions: The results demonstrate that the multi-GPU implementation of the authors’ column-generation-based VMAT optimization can handle the large-scale VMAT optimization problem efficiently without sacrificing plan quality. The authors’ study may serve as an example to shed some light on other large-scale medical physics problems that require multi-GPU techniques.

60 APPLIED LIFE SCIENCES↗

The variably spaced superlattice electroluminescent display - A new high efficiency electroluminescence scheme

A new, highly efficient dc electroluminescent display is presented. A variably spaced superlattice scheme is suggested herein which can produce high-energy injection of electrons into a ZnSe:Mn active layer in which impact excitation of the Mn centers can occur. The device is predicted to operate at an applied external bias an order of magnitude less than the best dc electroluminescent device to date. The device is predicted to have comparable brightness, since it operates in the saturation regime. The improved efficiency stems from avoiding significant energy loss to phonons. The electrons sequentially tunnel through a multilayer stack under bias and emerge into the active layer at an energy equal to the conduction-band bending. The injection energy is chosen to coincide with the impact excitation energy of the Mn centers. Different device designs are presented and their performance is predicted.

Brennan, K. F.↗

Electron-ion coincidence measurements of molecular dynamics with intense X-ray pulses

Molecules can sequentially absorb multiple photons when irradiated by an intense X-ray pulse from a free-electron laser. If the time delay between two photoabsorption events can be determined, this enables pump-probe experiments with a single X-ray pulse, where the absorption of the first photon induces electronic and nuclear dynamics that are probed by the absorption of the second photon. Here we show a realization of such a single-pulse X-ray pump-probe scheme on N 2 molecules, using the X-ray induced dissociation process as an internal clock that is read out via coincident detection of photoelectrons and fragment ions. By coincidence analysis of the kinetic energies of the ionic fragments and photoelectrons, the transition from a bound molecular dication to two isolated atomic ions is observed through the energy shift of the inner-shell electrons. Via ab-initio simulations, we are able to map characteristic features in the kinetic energy release and photoelectron spectrum to specific delay times between photoabsorptions. In contrast to previous studies where nuclear motions were typically revealed by measuring ion kinetics, our work shows that inner-shell photoelectron energies can also be sensitive probes of nuclear dynamics, which adds one more dimension to the study of light-matter interactions with X-ray pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗

Efficient and Effective Sparse Tensor Reordering

This paper proposed two reordering schemes for sparse tensors: BFS-MCS and LEXI-ORDER. BFS-MCS is a Breadth First Search (BFS)-like heuristic approach based on the maximum cardinality search family; LEXI-ORDER is an extension of doubly lexical ordering of matrices to tensors. CANDECOMP/PARAFAC decomposition (CPD) is taken as an example to show their effect on existing three sparse tensor formats for CPUs: coordinate (COO), compressed sparse fiber (CSF), and hierarchical coordinate (HICOO). LEXI-ORDER obtains up to 4.14× speedup on sequential HICOO-MTTKRP and 11.88× speedup on its parallel case. COO- and CSF-MTTKRP also achieves performance improvement in different degree. Our two reordering methods are more efficient and effective than other state-of-the-art reordering methods used in SPLATT.

HPC↗

Upgrades for the CMS simulation

We report the current status of the full simulation application developed by the CMS experiment. For LHC run-II, CMS is using Geant4 10.0p02 built in sequential mode. About 16 billion events were produced for run-II analysis during 2015-2016. A new method to handle pileup events has been developed and is now used for regular processing of simulation events. We plan to use Geant4 10.2p02 for 2017 production. In this work, we present CPU and memory performance of the CMS full simulation for different configurations and Geant4 versions considered during our testing. We also discuss technical aspects of the migration to Geant4 10.2 and a new premixing scheme for the simulation of pileup.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Parallel Memory-Independent Communication Bounds for SYRK

In this paper, we focus on the parallel communication cost of multiplying a matrix with its transpose, known as a symmetric rank-k update (SYRK). SYRK requires half the computation of general matrix multiplication because of the symmetry of the output matrix. Recent work (Beaumont et al., SPAA '22) has demonstrated that the sequential I/O complexity of SYRK is also a constant factor smaller than that of general matrix multiplication. Inspired by this progress, we establish memory-independent parallel communication lower bounds for SYRK with smaller constants than general matrix multiplication, and we show that these constants are tight by presenting communication-optimal algorithms. The crux of the lower bound proof relies on extending a key geometric inequality to symmetric computations and analytically solving a constrained nonlinear optimization problem. Here, the optimal algorithms use a triangular blocking scheme for parallel distribution of the symmetric output matrix and corresponding computation.

Communication costs↗

Ensemble Sampling vs. Time Sampling in Molecular Dynamics Simulations of Thermal Conductivity

In this report we compare time sampling and ensemble averaging as two different methods available for phase space sampling. For the comparison, we calculate thermal conductivities of solid argon and silicon structures, using equilibrium molecular dynamics. We introduce two different schemes for the ensemble averaging approach, and show that both can reduce the total simulation time as compared to time averaging. It is also found that velocity rescaling is an efficient mechanism for phase space exploration. Although our methodology is tested using classical molecular dynamics, the ensemble generation approaches may find their greatest utility in computationally expensive simulations such as first principles molecular dynamics. For such simulations, where each time step is costly, time sampling can require long simulation times because each time step must be evaluated sequentially and therefore phase space averaging is achieved through sequential operations. On the other hand, with ensemble averaging, phase space sampling can be achieved through parallel operations, since each ensemble is independent. For this reason, particularly when using massively parallel architectures, ensemble sampling can result in much shorter simulation times and exhibits similar overall computational effort.

74 ATOMIC AND MOLECULAR PHYSICS↗

Systolic array processing of the sequential decoding algorithm

A systolic array processing technique is applied to implementing the stack algorithm form of the sequential decoding algorithm. It is shown that sorting, a key function in the stack algorithm, can be efficiently realized by a special type of systolic arrays known as systolic priority queues. Compared to the stack-bucket algorithm, this approach is shown to have the advantages that the decoding always moves along the optimal path, that it has a fast and constant decoding speed and that its simple and regular hardware architecture is suitable for VLSI implementation. Three types of systolic priority queues are discussed: random access scheme, shift register scheme and ripple register scheme. The property of the entries stored in the systolic priority queue is also investigated. The results are applicable to many other basic sorting type problems.

Chang, C. Y.↗

A time-parallel method for the solution of PDE-constrained optimization problems

We study a time-parallel approach to solving quadratic optimization problems with linear time-dependent partial differential equation (PDE) constraints. These problems arise in formulations of optimal control, optimal design and inverse problems that are governed by parabolic PDE models. They may also arise as subproblems in algorithms for the solution of optimization problems with nonlinear time-dependent PDE constraints, e.g., in sequential quadratic programming methods. We apply a piecewise linear finite element discretization in space to the PDE constraint, followed by the Crank-Nicolson discretization in time. The objective function is discretized using finite elements in space and the trapezoidal rule in time. At this point in the discretization, auxiliary state variables are introduced at each discrete time interval, with the goal to enable: (i) a decoupling in time; and (ii) a fixed-point iteration to recover the solution of the discrete optimality system. The fixed-point iterative schemes can be used either as preconditioners for Krylov subspace methods or as smoothers for multigrid (in time) schemes. We present promising numerical results for both use cases.

97 MATHEMATICS AND COMPUTING↗

Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal–Water Interfaces

We report the development of a quantum mechanics/molecular mechanics free energy perturbation (QM/MM-FEP) method for modeling chemical reactions at metal-water interfaces. This novel solvation scheme combines planewave density function theory (DFT), periodic electrostatic embedded cluster method (PEECM) calculations using Gaussian-type orbitals, and classical molecular dynamics (MD) simulations to obtain a free energy description of a complex metal-water system. We derive a potential of mean force (PMF) of the reaction system within the QM/MM framework. A fixed-size, finite ensemble of MM conformations is used to permit precise evaluation of the PMF of QM coordinates and its gradient defined within this ensemble. Local conformations of adsorbed reaction moieties are optimized using sequential MD-sampling and QM-optimization steps. An approximate reaction coordinate is constructed using a number of interpolated states and the free energy difference between adjacent states is calculated using the QM/MM-FEP method. By avoiding on-the-fly QM calculations and by circumventing the challenges associated with statistical averaging during MD sampling, a computational speedup of multiple orders of magnitude is realized. The method is systematically validated against the results of ab initio QM calculations and demonstrated for C–C cleavage in double-dehydrogenated ethylene glycol on a Pt (111) model surface.

Chemical calculations↗

Data assimilation in operator algebras

We develop an algebraic framework for sequential data assimilation of partially observed dynamical systems. In this framework, Bayesian data assimilation is embedded in a nonabelian operator algebra, which provides a representation of observables by multiplication operators and probability densities by density operators (quantum states). In the algebraic approach, the forecast step of data assimilation is represented by a quantum operation induced by the Koopman operator of the dynamical system. Moreover, the analysis step is described by a quantum effect, which generalizes the Bayesian observational update rule. Projecting this formulation to finite-dimensional matrix algebras leads to computational schemes that are i) automatically positivity-preserving and ii) amenable to consistent data-driven approximation using kernel methods for machine learning. Moreover, these methods are natural candidates for implementation on quantum computers. Applications to the Lorenz 96 multiscale system and the El Niño Southern Oscillation in a climate model show promising results in terms of forecast skill and uncertainty quantification.

97 MATHEMATICS AND COMPUTING↗

In-Flight System Identification

A method is proposed and studied whereby the system identification cycle consisting of experiment design and data analysis can be repeatedly implemented aboard a test aircraft in real time. This adaptive in-flight system identification scheme has many advantages, including increased flight test efficiency, adaptability to dynamic characteristics that are imperfectly known a priori, in-flight improvement of data quality through iterative input design, and immediate feedback of the quality of flight test results. The technique uses equation error in the frequency domain with a recursive Fourier transform for the real time data analysis, and simple design methods employing square wave input forms to design the test inputs in flight. Simulation examples are used to demonstrate that the technique produces increasingly accurate model parameter estimates resulting from sequentially designed and implemented flight test maneuvers. The method has reasonable computational requirements, and could be implemented aboard an aircraft in real time.

Morelli, Eugene A.↗