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71.
Many recent algorithmic approaches involve the construction of a differential equation model for computational purposes, typically
by introducing an artificial time variable. The actual computational model involves a discretization of the now time-dependent differential system, usually
employing forward Euler. The resulting dynamics of such an algorithm is then a discrete dynamics, and it is expected to be
“close enough” to the dynamics of the continuous system (which is typically easier to analyze) provided that small – hence
many – time steps, or iterations, are taken. Indeed, recent papers in inverse problems and image processing routinely report
results requiring thousands of iterations to converge. This makes one wonder if and how the computational modeling process
can be improved to better reflect the actual properties sought.
In this article we elaborate on several problem instances that illustrate the above observations. Algorithms may often lend
themselves to a dual interpretation, in terms of a simply discretized differential equation with artificial time and in terms
of a simple optimization algorithm; such a dual interpretation can be advantageous. We show how a broader computational modeling
approach may possibly lead to algorithms with improved efficiency.
AMS subject classification (2000) 65L05, 65M32, 65N21, 65N22, 65D18 相似文献
72.
Joseph Y.-T. Leung 《Discrete Applied Mathematics》2007,155(8):945-970
We consider the problem of scheduling orders for multiple different product types in an environment with m dedicated machines in parallel. The objective is to minimize the total weighted completion time. Each product type is produced by one and only one of the m dedicated machines; that is, each machine is dedicated to a specific product type. Each order has a weight and may also have a release date. Each order asks for certain amounts of various different product types. The different products for an order can be produced concurrently. Preemptions are not allowed. Even when all orders are available at time 0, the problem has been shown to be strongly NP-hard for any fixed number (?2) of machines. This paper focuses on the design and analysis of efficient heuristics for the case without release dates. Occasionally, however, we extend our results to the case with release dates. The heuristics considered include some that have already been proposed in the literature as well as several new ones. They include various static and dynamic priority rules as well as two more sophisticated LP-based algorithms. We analyze the performance bounds of the priority rules and of the algorithms and present also an in-depth comparative analysis of the various rules and algorithms. The conclusions from this empirical analysis provide insights into the trade-offs with regard to solution quality, speed, and memory space. 相似文献
73.
74.
Electronic properties of model quantum-dot structures in zero and finite magnetic fields 总被引:1,自引:0,他引:1
H. Saarikoski E. Räsänen S. Siljamäki A. Harju M.J. Puska R.M. Nieminen 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(2):241-252
We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral
dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional
theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method.
The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions
which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic
field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability
of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained
for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking
solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed.
Received 16 October 2001 and Received in final form 17 January 2002 相似文献
75.
Hyperfine Interactions - Rotational J=1→J=0 transitions in muonic molecule, (3Heμd) J ++, in [(3Heμd)++,2e]–D and [(3Heμd)++,e]+–D collisions are considered. The... 相似文献
76.
M. Gutowski I. Dabkowska J. Rak S. Xu J.M. Nilles D. Radisic K.H. Bowen Jr 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):431-439
The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with
maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a
π* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT)
from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of
uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated
glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the
BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the
damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the
standard Watson-Crick pairing scheme.
Received 6 April 2002 Published online 13 September 2002 相似文献
77.
We study the propagation of the light mesons σ,ω,ρ, and a0(980) in dense hadronic matter in an extended derivative scalar coupling model. Within the scheme proposed it is possible
to unambiguously define effective density-dependent couplings at the Lagrangian level. We first apply the model to study asymmetric
nuclear matter with fixed isospin asymmetry, and then we pay particular attention to hypermatter in β-equilibrium. The equation
of state and the potential contribution to the symmetry coefficient arising from the mean-field approximation are investigated.
Received: 16 October 2001 / Accepted: 10 January 2002 相似文献
78.
N.-K. Lee T.A. Vilgis 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,28(4):451-465
We study the elastic properties of single A/B random copolymer chains, with a specific sequence and use them as theoretical
model for so called HP proteins. HP proteins carry hydrophilic (P) and hydrophobic (H) monomers. We predict a rich structure
in the force-extension relations which can be attributed to the information in the sequence. The variational method is used
to probe local minima on the path of stretching and releasing for the chain molecules. At a given force, we find multiple
configurations which are separated by energy barriers. A collapsed globular configuration consists of several domains which
unravel cooperatively. Upon stretching, the unfolding path shows a stepwise pattern corresponding to the unfolding of each
domain. While releasing, several cores can be created simultaneously in the middle of the chain, resulting in a different
path of collapse. The long-range interactions and stiffness of the chain simplify the potential landscape given by the disorder
in sequence.
Received 5 March 2002 / Received in final form 16 May 2002 Published online 13 August 2002 相似文献
79.
Ying Zhang Gang Hu Shigang Chen H.A. Cerdeira 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,27(3):381-384
A method of controlling global stochasticity in Hamiltonian systems by applying nonlinear perturbation is proposed. With the
well-known standard map we demonstrate that this control method can convert global stochasticity into regular motion in a
wide chaotic region for arbitrary initial condition, in which the control signal remains very weak after a few kicks. The
system in which chaos has been controlled approximates to the original Hamiltonian system, and this approach appears robust
against small external noise. The mechanism underlying this high control efficiency is intuitively explained.
Received 15 January 2002 Published online 6 June 2002 相似文献
80.
S. Zschocke G. Plunien G. Soff 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,19(2):147-156
The renormalization method of Bogoljubov-Parasiuk-Hepp-Zimmermann (BPHZ) is used in order to derive the renormalized energy
shift due to the gauge invariant K?llén-Sabry diagram of the two-photon vacuum polarization (VPVP) as well as the self energy
vacuum polarization S(VP)E beyond the Uehling approximation. It is outlined, that no outer renormalization is required for
the two-photon vacuum polarization and that only the inner renormalization has to be accomplished. It is shown that the so-called
nongauge invariant spurious term is absent for a wide class of vacuum polarization (VP) diagrams if one applies the widely
used spherical expansion of bound and free-electron propagator. This simplifies significantly calculations in bound state
quantum electrodynamics. As one result of our paper the use of the BPHZ-approach in bound state QED is established.
Received 28 September 2001 相似文献