Computational analysis of native and modified oligofructosides

This paper presents a quantum chemical calculation of native (2–7 fructoside residues) and chemically modified (2–4 fructoside residues) levan molecule models. A levan modification was carried out by oxidation and the following reduction or hyrdazonation of the fructoside rings. The conformational particularity and reaction ability was studied for the native and for the modified levan molecules.     

Study of a vibrating plate: comparison between experimental (ESPI) and analytical results

Real-time electronic speckle pattern interferometry (ESPI) was used for tuning and visualization of natural frequencies of a trapezoidal plate. The plate was excited to resonant vibration by a sinusoidal acoustical source, which provided a continuous range of audio frequencies. Fringe patterns produced during the time-average recording of the vibrating plate—corresponding to several resonant frequencies—were registered. From these interferograms, calculations of vibrational amplitudes by means of zero-order Bessel functions were performed in some particular cases. The system was also studied analytically. The analytical approach developed is based on the Rayleigh–Ritz method and on the use of non-orthogonal right triangular co-ordinates. The deflection of the plate is approximated by a set of beam characteristic orthogonal polynomials generated by using the Gram–Schmidt procedure. A high degree of correlation between computational analysis and experimental results was observed.     

Homogenization of two-phase flow: high contrast of phase permeabilityHomogénéisation d'écoulement diphasique : grand contraste de perméabilité d'une phase

The steady-state two-phase flow non-linear equation is considered in the case when one of phases has low effective permeability in some periodic set, while on the complementary set it is high; the second phase has no contrast of permeabilities in different zones. A homogenization procedure gives the homogenized model with macroscopic effective permeability of the second phase depending on the gradient and on the second order derivatives of the macroscopic pressure of the first phase. This effect cannot be obtained by classical (one small parameter) homogenization. To cite this article: G.P. Panasenko, G. Virnovsky, C. R. Mecanique 331 (2003).     

Normative KGP agents

We extend the logical model of agency known as the KGP model, to support agents with normative concepts, based on the roles an agent plays and the obligations and prohibitions that result from playing these roles. The proposed framework illustrates how the resulting normative concepts, including the roles, can evolve dynamically during the lifetime of the agent. Furthermore, we illustrate how these concepts can be combined with the existing capabilities of KGP agents in order to plan for their goals, react to changes in the environment, and interact with other agents. Our approach gives an executable specification of normative concepts that can be used directly for prototyping applications. Fariba Sadri is a senior lecturer at Imperial College London, from where she received her PhD. Her earlier work concentrated on integrity of deductive databases and temporal reasoning, in particular using the event calculus. In more recent years her work has been on agent technologies and multi-agent systems. She has worked on logic-based agent models, reasoning, dynamic belief revision, and inter-agent communication and negotiation for resources. She was co-awarded an EPSRC grant for research into logic-based multi-agents and was co-investigator in the EU SOCS project. Kostas Stathis is a senior lecturer at Royal Holloway, University of London and he holds a PhD from Imperial College London. His research interests are in the area of computational intelligence in general and in the intersection of computational logic and cognitive systems for social computing applications in particular. His research interests include: representation of human-computer (or computer-computer) interaction as a game; cognitive & autonomous agents; artificial agent societies; agent communication; programmable agents and agent platforms. He is a co-investigator of the EU ArguGRID project and was a co-investigator of the EU SOCS project. Francesca Toni is a senior lecturer at Imperial College London, from where she received her PhD. Her earlier work focused on abductive reasoning. In more recent years, she focused on argumentation, agent models and multi-agent systems. She has worked on computational logic-based agent models, agent reasoning, dynamic belief revision, and inter-agent communication and negotiation for resources. She has been co-ordinator of the EU SOCS project, which developed the KGP model of agency, and is coordinator of the EU ArguGRID project, on the application of argumentative agents within grid systems.     

Validation of an optimization procedure to improve low frequency characteristics of rooms

A set of experiments was carried out to validate an optimization procedure based on finite element method (FEM). The idea of the procedure, fully presented in previous edition of this journal [Zhu X, Zhu Z, Cheng J. Using optimized surface modifications to improve low frequency response in a room. Appl Acoust 2004;65:841-60], is to produce an optimal geometry modification on the wall for improving low frequency sound uniformity in small rooms. Four experimental models were set up with a scale of 1:5. One was modified according to the optimized result and the others were treated with no optimization consideration. Measured frequency responses of four rooms were compared with numerical results calculated by FEM models. The transient responses in these rooms were also measured and analyzed. The agreements between calculation and measurement are satisfactory though the discrepancies due to the uncertainty of acoustic behavior of the room boundaries remain. The optimization procedure has been supported by the results that the optimized room produces the flattest frequency response and also the most smooth energy decay within the frequency range studied. The reductions of response fluctuation have reached 4.3 dB for prediction and 2.6 dB for measurement, respectively.     

The effects of flow split ratio and flow rate in manifolds

This paper reports a combined experimental and numerical investigation of three-dimensional steady turbulent flows in inlet manifolds of square cross-section. Predictions and measurements of the flows were carried out using computational fluid dynamics and laser Doppler anemometry techniques respectively. The flow structure was characterized in detail and the effects of flow split ratio and inlet flow rate were studied. These were found to cause significant variations in the size and shape of recirculation regions in the branches, and in the turbulence levels. It was then found that there is a significant difference between the flow rates through different branches. The performance of the code was assessed through a comparison between predictions and measurements. The comparison demonstrates that all important features of the flow are well represented by the predictions.     

Decomposition algorithms for the tree edit distance problem

We study the behavior of dynamic programming methods for the tree edit distance problem, such as [P. Klein, Computing the edit-distance between unrooted ordered trees, in: Proceedings of 6th European Symposium on Algorithms, 1998, p. 91–102; K. Zhang, D. Shasha, SIAM J. Comput. 18 (6) (1989) 1245–1262]. We show that those two algorithms may be described as decomposition strategies. We introduce the general framework of cover strategies, and we provide an exact characterization of the complexity of cover strategies. This analysis allows us to define a new tree edit distance algorithm, that is optimal for cover strategies.     

On the performance of peeling algorithms

The peeling of a d-dimensional set of points is usually performed with successive calls to a convex hull algorithm; the optimal worst-case convex hull algorithm, known to have an O(n^˙ Log (n)) execution time, may give an O(n^˙n^˙ Log (n)) to peel all the set; an O(n^˙n) convex hull algorithm, m being the number of extremal points, is shown to peel every set with an O(n-n) time, and proved to be optimal; an implementation of this algorithm is given for planar sets and spatial sets, but the latter give only an approximate O(n^˙n) performance.     

Polynomial-time approximation schemes for packing and piercing fat objects

We consider two problems: given a collection of n fat objects in a fixed dimension, (1) ( packing) find the maximum subcollection of pairwise disjoint objects, and (2) ( piercing) find the minimum point set that intersects every object. Recently, Erlebach, Jansen, and Seidel gave a polynomial-time approximation scheme (PTAS) for the packing problem, based on a shifted hierarchical subdivision method. Using shifted quadtrees, we describe a similar algorithm for packing but with a smaller time bound. Erlebach et al.'s algorithm requires polynomial space. We describe a different algorithm, based on geometric separators, that requires only linear space. This algorithm can also be applied to piercing, yielding the first PTAS for that problem.     

A statistical study of the analysis of congested spectra by total spectrum fitting

Heavily overlapped, or congested spectra often display much structure but few individual “lines.” Methods have been devised for analyzing such spectra through nonlinear least-squares fitting of the intensity as a function of wavelength or wavenumber. Such total spectrum fitting (TSF) methods are examined statistically for a simple diatomic model and compared with the standard “measure-assign-fit” (MAF) approach in use since the dawn of spectroscopy. Monte Carlo computations on typically 1000 synthetic spectra at a time verify that the predictions of the variance-covariance matrix are reliable under many circumstances. However in regions where the P and R branches double up, the predicted standard errors in the key spectroscopic constants rise sharply and greatly exceed estimates from the Monte Carlo ensemble statistics. In the same regions, the MAF method actually gives better precision. However, for imperfectly overlapped R and P branches, the MAF standard errors are typically three times larger than the TSF values; moreover, the MAF statistical errors are dwarfed by bias. The TSF approach, while clearly superior in these tests, has a practical drawback: it, too, can give significant bias if the spectra are analyzed with an incorrect model, as illustrated here through calculations employing the wrong function to describe the spectral lineshape.