Computational complexity of weighted splitting schemes on parallel computers

In models of complicated physical-chemical processes operator splitting is very often applied in order to achieve sufficient accuracy as well as efficiency of the numerical solution. The recently rediscovered weighted splitting schemes have the great advantage of being parallelizable on operator level, which allows us to reduce the computational time if parallel computers are used. In this paper, the computational times needed for the weighted splitting methods are studied in comparison with the sequential (S) splitting and the Marchuk-Strang (MSt) splitting and are illustrated by numerical experiments performed by use of simplified versions of the Danish Eulerian model (DEM).

Unit-cell approximation for diblock−copolymer brushes grafted to spherical particles

This paper examines the equilibrium phase behavior of thin diblock-copolymer films tethered to a spherical core, using numerical self-consistent field theory (SCFT). The computational cost of the calculation is greatly reduced by implementing the unit-cell approximation (UCA) routinely used in the study of bulk systems. This provides a tremendous reduction in computational time, permitting us to map out the phase behavior more extensively and allowing us to consider far larger particles. The main consequence of the UCA is that it omits packing frustration, but evidently the effect is minor for large particles. On the other hand, when the particles are small, the UCA calculation can be readily followed up with the full SCFT, the comparison to which conveniently allows one to quantitatively assess the effect of packing frustration.

Neuromantic : from semi-manual to semi-automatic reconstruction of neuron morphology

The ability to create accurate geometric models of neuronal morphology is important for understanding the role of shape in information processing. Despite a significant amount of research on automating neuron reconstructions from image stacks obtained via microscopy, in practice most data are still collected manually. This paper describes Neuromantic, an open source system for three dimensional digital tracing of neurites. Neuromantic reconstructions are comparable in quality to those of existing commercial and freeware systems while balancing speed and accuracy of manual reconstruction. The combination of semi-automatic tracing, intuitive editing, and ability of visualizing large image stacks on standard computing platforms provides a versatile tool that can help address the reconstructions availability bottleneck. Practical considerations for reducing the computational time and space requirements of the extended algorithm are also discussed.

Dinitrogen release from arylpentazole: A picosecond time-resolved infrared, spectroelectrochemical, and DFT computational study

p-(Dimethylamino)phenyl pentazole, DMAP-N5 (DMAP = Me2N−C6H4), was characterized by picosecond transient infrared spectroscopy and infrared spectroelectrochemistry. Femtosecond laser excitation at 310 or 330 nm produces the DMAP-N5 (S1) excited state, part of which returns to the ground state (τ = 82 ± 4 ps), while DMAP-N and DMAP-N3 (S0) are generated as double and single N2-loss photoproducts with η ≈ 0.14. The lifetime of DMAP-N5 (S1) is temperature and solvent dependent. [DMAP-N3]+ is produced from DMAP-N5 in a quasireversible, one-electron oxidation process (E1/2 = +0.67 V). Control experiments with DMAP-N3 support the findings. DFT B3LYP/6-311G** calculations were used to identify DMAP-N5 (S1), DMAP-N3 +, and DMAP-N in the infrared spectra. Both DMAP-N5 (S1) and [DMAP-N5]+ have a weakened N5 ring structure.

A Proposed Modification to the Robert–Asselin Time Filter

The Robert–Asselin time filter is widely used in numerical models of weather and climate. It successfully suppresses the spurious computational mode associated with the leapfrog time-stepping scheme. Unfortunately, it also weakly suppresses the physical mode and severely degrades the numerical accuracy. These two concomitant problems are shown to occur because the filter does not conserve the mean state, averaged over the three time slices on which it operates. The author proposes a simple modification to the Robert–Asselin filter, which does conserve the three-time-level mean state. When used in conjunction with the leapfrog scheme, the modification vastly reduces the impacts on the physical mode and increases the numerical accuracy for amplitude errors by two orders, yielding third-order accuracy. The modified filter could easily be incorporated into existing general circulation models of the atmosphere and ocean. In principle, it should deliver more faithful simulations at almost no additional computational expense. Alternatively, it may permit the use of longer time steps with no loss of accuracy, reducing the computational expense of a given simulation.

Time patterns in UK demand for alcohol and tobacco: an application of the EM algorithm

Capturing the pattern of structural change is a relevant task in applied demand analysis, as consumer preferences may vary significantly over time. Filtering and smoothing techniques have recently played an increasingly relevant role. A dynamic Almost Ideal Demand System with random walk parameters is estimated in order to detect modifications in consumer habits and preferences, as well as changes in the behavioural response to prices and income. Systemwise estimation, consistent with the underlying constraints from economic theory, is achieved through the EM algorithm. The proposed model is applied to UK aggregate consumption of alcohol and tobacco, using quarterly data from 1963 to 2003. Increased alcohol consumption is explained by a preference shift, addictive behaviour and a lower price elasticity. The dynamic and time-varying specification is consistent with the theoretical requirements imposed at each sample point. (c) 2005 Elsevier B.V. All rights reserved.

Perceiving time to collision activates the sensorimotor cortex

The survival of many animals hinges upon their ability to avoid collisions with other animals or objects or to precisely control the timing of collisions. Optical expansion provides a compelling impression of object approach and in principle can provide the basis for judgments of time to collision (TTC) [1]. It has been demonstrated that pigeons [2] and houseflies [3] have neural systems that can initiate rapid coordinated actions on the basis of optical expansion. In the case of humans, the linkage between judgments of TTC and coordinated action has not been established at a cortical level. Using functional magnetic resonance imaging (fMRI), we identified superior-parietal and motor-cortex areas that are selectively active during perceptual TTC judgments, some of which are normally involved in producing reach-to-grasp responses. These activations could not be attributed to actual movement of participants. We demonstrate that networks involved in the computational problem of extracting TTC from expansion information have close correspondence with the sensorimotor systems that would be involved in preparing a timed motor response, such as catching a ball or avoiding collision.

PIC based detection for distributed space-time block coding under imperfect synchronisation

A parallel interference cancellation (PIC) detection scheme is proposed to suppress the impact of imperfect synchronisation. By treating as interference the extra components in the received signal caused by timing misalignment, the PIC detector not only offers much improved performance but also retains a low structural and computational complexity.

Distributed space-time block coding with incremental relay: performance improvement under imperfect synchronisation

This paper addresses the impact of imperfect synchronisation on D-STBC when combined with incremental relay. To suppress such an impact, a novel detection scheme is proposed, which retains the two key features of the STBC principle: simplicity (i.e. linear computational complexity), and optimality (i.e. maximum likelihood). These two features make the new detector very suitable for low power wireless networks (e.g. sensor networks).

Distributed space-time block coding for 3 and 4 relay nodes: Imperfect synchronisation and a solution

Most research on distributed space time block coding (STBC) has so far focused on the case of 2 relay nodes and assumed that the relay nodes are perfectly synchronised at the symbol level. By applying STBC to 3-or 4-relay node systems, this paper shows that imperfect synchronisation causes significant performance degradation to the conventional detector. To this end, we propose a new STBC detection solution based on the principle of parallel interference cancellation (PIC). The PIC detector is moderate in computational complexity but is very effective in suppressing the impact of imperfect synchronisation.

PIC detector for distributed space-time block coding under imperfect synchronisation

A parallel interference cancellation (PIC) detection scheme is proposed to suppress the impact of imperfect synchronisation. By treating as interference the extra components in the received signal caused by timing misalignment, the PIC detector not only offers much improved performance but also retains a low structural and computational complexity.

Efficient on the fly calculation of time correlation functions in computer simulations

Time correlation functions yield profound information about the dynamics of a physical system and hence are frequently calculated in computer simulations. For systems whose dynamics span a wide range of time, currently used methods require significant computer time and memory. In this paper, we discuss the multiple-tau correlator method for the efficient calculation of accurate time correlation functions on the fly during computer simulations. The multiple-tau correlator is efficacious in terms of computational requirements and can be tuned to the desired level of accuracy. Further, we derive estimates for the error arising from the use of the multiple-tau correlator and extend it for use in the calculation of mean-square particle displacements and dynamic structure factors. The method described here, in hardware implementation, is routinely used in light scattering experiments but has not yet found widespread use in computer simulations.

A critique of neural networks for discrete-time linear control

This paper discusses the use of multi-layer perceptron networks for linear or linearizable, adaptive feedback.control schemes in a discrete-time environment. A close look is taken at the model structure selected and the extent of the resulting parametrization. A comparison is made with standard, non-perceptron algorithms, e.g. self-tuning control, and it is shown how gross over-parametrization can occur in the neural network case. Because of the resultant heavy computational burden and poor controller convergence, a strong case is made against the use of neural networks for discrete-time linear control.

Signal detection for orthogonal space-time block coding over time-selective fading channels: the H(i) systems

One major assumption in all orthogonal space-time block coding (O-STBC) schemes is that the channel remains static over the length of the code word. However, time-selective fading channels do exist, and in such case conventional O-STBC detectors can suffer from a large error floor in the high signal-to-noise ratio (SNR) cases. As a sequel to the authors' previous papers on this subject, this paper aims to eliminate the error floor of the H(i)-coded O-STBC system (i = 3 and 4) by employing the techniques of: 1) zero forcing (ZF) and 2) parallel interference cancellation (PIC). It is. shown that for an H(i)-coded system the PIC is a much better choice than the ZF in terms of both performance and computational complexity. Compared with the, conventional H(i) detector, the PIC detector incurs a moderately higher computational complexity, but this can well be justified by the enormous improvement.

Space-time multirate blind multiuser detection for synchronous DS/CDMA systems

This paper proposes the subspace-based space-time (ST) dual-rate blind linear detectors for synchronous DS/CDMA systems, which can be viewed as the ST extension of our previously presented purely temporal dual-rate blind linear detectors. The theoretical analyses on their performances are also carried out. Finally, the two-stage ST blind detectors are presented, which combine the adaptive purely temporal dual-rate blind MMSE filters with the non-adaptive beamformer. Their adaptive stages with parallel structure converge much faster than the corresponding adaptive ST dual-rate blind MMSE detectors, while having a comparable computational complexity to the latter.