共查询到20条相似文献，搜索用时 46 毫秒
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This paper studies the allocation of discrete resources among multiple agents from a preference theory perspective. More specifically, the paper explores the process of decision making where:
相似文献
| (a) | information is obtained about the preference profiles of each agent |
| (b) | the information acquired is then used as a basis for finding a socially optimal resource allocation, and |
| (c) | the costs involved in acquiring information are considered as an integral part of the process. |
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In this paper the authors, starting from the experience described and commented on in earlier work by Mancini and Sbordone, deal with the three main epistemological problems that the research group they participated in had to face:
The three problems are dealt with one at a time, but from a common perspective, i.e., the attempt to integrate the richness and variety of human subjectivity in social research. As to the relationship between psychoanalysis and social research, a special section is devoted to the implications of an integrated or convergent methodology on team-working in organisations.
相似文献
| – | The conflicting and ambiguous relationship between psychoanalysis and social research |
| – | The classical epistemological problem of the relationship between the subject and object of research within the perspective of action research |
| – | The problem arising from their experience, i.e., the risk of manipulation, and the way to deal with it from an epistemic perspective |
| F. GaribaldoEmail: |
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We present a general purpose parallel molecular dynamics simulation code. The code can handle NVE, NVT, and NPT ensemble molecular dynamics, Langevin dynamics, and dissipative particle dynamics. Long-range interactions are handled by using the smooth particle mesh Ewald method. The implicit solvent model using solvent-accessible surface area was also implemented. Benchmark results using molecular dynamics, Langevin dynamics, and dissipative particle dynamics are given.
Program summary
Title of program:MM_PARCatalogue identifier:ADXP_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXP_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputer for which the program is designed and others on which it has been tested:any UNIX machine. The code has been tested on Linux cluster and IBM p690Operating systems or monitors under which the program has been tested:Linux, AIXProgramming language used:CMemory required to execute with typical data:∼60 MB for a system of atoms Has the code been vectorized or parallelized? parallelized with MPI using atom decomposition and domain decompositionNo. of lines in distributed program, including test data, etc.:171 427No. of bytes in distributed program, including test data, etc.:4 558 773Distribution format:tar.gzExternal routines/libraries used:FFTW free software (http://www.fftw.org)Nature of physical problem:Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales.Method of solution:Molecular dynamics simulation in NVE, NVT, and NPT ensemble, Langevin dynamics simulation, dissipative particle dynamics simulation.Typical running time:Table below shows the typical run times for the four test programs.Benchmark results. The values in the parenthesis are the number of processors used System Method Timing for 100 steps in seconds 256 TIP3P MD 23.8 (1) 64 DMPC + 1645 TIP3P MD 890 (1) 528 (2) 326 (4) 209 (8) 8 Aβ16-22 LD 1.02 (1) 23760 Groot-Warren particles DPD 22.16 (1) - Full-size table
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A Bilinear Approach to the Parameter Estimation of a General Heteroscedastic Linear System,with Application to Conic Fitting 总被引：2，自引：1，他引：2
In this paper, we employ low-rank matrix approximation to solve a general parameter estimation problem: where a non-linear
system is linearized by treating the carrier terms as separate variables, thereby introducing heteroscedastic noise. We extend
the bilinear approach to handle cases with heteroscedastic noise, in the framework of low-rank approximation.
The ellipse fitting problem is investigated as a specific example of the general theory. Despite the impression given in the
literature, the ellipse fitting problem is still unsolved when the data comes from a small section of the ellipse. Although
there are already some good approaches to the problem of ellipse fitting, such as FNS and HEIV, convergence in these iterative
approaches is not ensured, as pointed out in the literature. Another limitation of these approaches is that they cannot model
the correlations among different rows of the “general measurement matrix”. Our method, of employing the bilinear approach
to solve the general heteroscedastic parameter estimation problem, overcomes these limitations: it is convergent, at least
to a local optimum, and can cope with a general heteroscedastic problem. Experiments show that the proposed bilinear approach
performs better than other competing approaches: although it is still far short of a solution when the data comes from a very
small arc of the ellipse.
相似文献
| Pei ChenEmail: |
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A formal definition of a combinatorial topology is presented in this paper for the discrete N-dimensional space defined by the An* lattice. The use of this grid instead of the classical ℤn is based on two arguments:
Their interest in image processing and in the medical imaging field is presented with some examples. 相似文献
| – | It is the optimal sampling grid in the sense of Shannon’s sampling theorem in 2 and 3 dimensions, |
| – | It induces the simplest discrete topology definition because its dual is a K-simplex. |
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Torbjörn Björkman 《Computer Physics Communications》2011,182(5):1183-1186
The CIF2Cell program generates the geometrical setup for a number of electronic structure programs based on the crystallographic information in a Crystallographic Information Framework (CIF) file. The program will retrieve the space group number, Wyckoff positions and crystallographic parameters, make a sensible choice for Bravais lattice vectors (primitive or principal cell) and generate all atomic positions. Supercells can be generated and alloys are handled gracefully. The code currently has output interfaces to the electronic structure programs ABINIT, CASTEP, CPMD, Crystal, Elk, Exciting, EMTO, Fleur, RSPt, Siesta and VASP.
Program summary
Program title: CIF2CellCatalogue identifier: AEIM_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIM_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU GPL version 3No. of lines in distributed program, including test data, etc.: 12 691No. of bytes in distributed program, including test data, etc.: 74 933Distribution format: tar.gzProgramming language: Python (versions 2.4–2.7)Computer: Any computer that can run Python (versions 2.4–2.7)Operating system: Any operating system that can run Python (versions 2.4–2.7)Classification: 7.3, 7.8, 8External routines: PyCIFRW [1]Nature of problem: Generate the geometrical setup of a crystallographic cell for a variety of electronic structure programs from data contained in a CIF file.Solution method: The CIF file is parsed using routines contained in the library PyCIFRW [1], and crystallographic as well as bibliographic information is extracted. The program then generates the principal cell from symmetry information, crystal parameters, space group number and Wyckoff sites. Reduction to a primitive cell is then performed, and the resulting cell is output to suitably named files along with documentation of the information source generated from any bibliographic information contained in the CIF file. If the space group symmetries is not present in the CIF file the program will fall back on internal tables, so only the minimal input of space group, crystal parameters and Wyckoff positions are required. Additional key features are handling of alloys and supercell generation.Additional comments: Currently implements support for the following general purpose electronic structure programs: ABINIT [2,3], CASTEP [4], CPMD [5], Crystal [6], Elk [7], exciting [8], EMTO [9], Fleur [10], RSPt [11], Siesta [12] and VASP [13–16].Running time: The examples provided in the distribution take only seconds to run.References:[1]
J.R. Hester, A validating CIF parser: PyCIFRW, Journal of Applied Crystallography 39 (4) (2006) 621–625, doi:10.1107/S0021889806015627, URL http://dx.doi.org/10.1107/S0021889806015627 [2]
X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, P. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D.R. Hamann, D.C. Allan, A brief introduction to the abinit software package, Zeitschrift für Kristallographie 220 (12) (2005) 558–562. [3]
X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Ct, T. Deutsch, L. Genovese, P. Ghosez, M. Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. Verstraete, G. Zerah, J. Zwanziger, Abinit: First-principles approach to material and nanosystem properties, Computer Physics Communications 180 (12) (2009) 2582–2615 (40 years of CPC: A celebratory issue focused on quality software for high performance, grid and novel computing architectures), doi:10.1016/j.cpc.2009.07.007; http://www.sciencedirect.com/science/article/B6TJ5-4WTRSCM-3/2/20edf8da70cd808f10fe352c45d0c0be. [4]
S.J. Clark, M.D. Segall, C.J. Pickard, P.J. Hasnip, M.J. Probert, K. Refson, M.C. Payne, First principles methods using CASTEP, Zeitschrift für Kristallographie 220 (12) (2005) 567–570. [5]
URL http://www.cpmd.org. [6]
R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V.R. Saunders, C.M. Zicovich-Wilson, Crystal: a computational tool for the ab initio study of the electronic properties of crystals, Zeitschrift für Kristallographie 220 (2005) 571–573. URL http://dx.doi.org/10.1524/zkri.220.5.571.65065. [7]
URL http://elk.sourceforge.net. [8]
URL http://exciting-code.org. [9]
L. Vitos, Computational Quantum Mechanics for Materials Engineers; The EMTO Method and Applications, Springer, London, 2007, doi:10.1007/978-1-84628-951-4.
[10]
URL http://www.flapw.de. [11]
J.M. Wills, O. Eriksson, M. Alouani, D.L. Price, Full-potential LMTO total energy and force calculations, in: H. Dreussé (Ed.), Electronic Structure and Physical Properties of Solids; The Uses of the LMTO Method, Springer, 1996, pp. 148–167. [12]
J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, D. Sánchez-Portal, The siesta method for ab initio order-n materials simulation, Journal of Physics: Condensed Matter 14 (11) (2002) 2745. URL http://stacks.iop.org/0953-8984/14/i=11/a=302 [13]
G. Kresse, J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B 47 (1) (1993) 558–561, doi:10.1103/PhysRevB.47.558. [14]
G. Kresse, J. Hafner, Ab initio molecular-dynamics simulation of the liquid–metal amorphous-semiconductor transition in germanium, Phys. Rev. B 49 (20) (1994) 14251–14269, doi:10.1103/PhysRevB.49.14251. [15]
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Computational Materials Science 6 (1) (1996) 15–50, doi:10.1016/0927-0256(96)00008-0. URL http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74. [16]
G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (16) (1996) 11169–11186, doi:10.1103/PhysRevB.54.11169.
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Charlie C. Chen Julie Yu-Chih Liu Houn-Gee Chen 《Information and Software Technology》2011,53(2):149-158