Boundary integral methods in high frequency scattering

In this article we review recent progress on the design, analysis and implementation of numerical-asymptotic boundary integral methods for the computation of frequency-domain acoustic scattering in a homogeneous unbounded medium by a bounded obstacle. The main aim of the methods is to allow computation of scattering at arbitrarily high frequency with finite computational resources.

Algorithm for generating defective graphene sheets

An algorithm is presented for the generation of molecular models of defective graphene fragments, containing a majority of 6-membered rings with a small number of 5- and 7-membered rings as defects. The structures are generated from an initial random array of points in 2D space, which are then subject to Delaunay triangulation. The dual of the triangulation forms a Voronoi tessellation of polygons with a range of ring sizes. An iterative cycle of refinement, involving deletion and addition of points followed by further triangulation, is performed until the user-defined criteria for the number of defects are met. The array of points and connectivities are then converted to a molecular structure and subject to geometry optimization using a standard molecular modeling package to generate final atomic coordinates. On the basis of molecular mechanics with minimization, this automated method can generate structures, which conform to user-supplied criteria and avoid the potential bias associated with the manual building of structures. One application of the algorithm is the generation of structures for the evaluation of the reactivity of different defect sites. Ab initio electronic structure calculations on a representative structure indicate preferential fluorination close to 5-ring defects.

Periodic Reordering

For many networks in nature, science and technology, it is possible to order the nodes so that most links are short-range, connecting near-neighbours, and relatively few long-range links, or shortcuts, are present. Given a network as a set of observed links (interactions), the task of finding an ordering of the nodes that reveals such a range-dependent structure is closely related to some sparse matrix reordering problems arising in scientific computation. The spectral, or Fiedler vector, approach for sparse matrix reordering has successfully been applied to biological data sets, revealing useful structures and subpatterns. In this work we argue that a periodic analogue of the standard reordering task is also highly relevant. Here, rather than encouraging nonzeros only to lie close to the diagonal of a suitably ordered adjacency matrix, we also allow them to inhabit the off-diagonal corners. Indeed, for the classic small-world model of Watts & Strogatz (1998, Collective dynamics of ‘small-world’ networks. Nature, 393, 440–442) this type of periodic structure is inherent. We therefore devise and test a new spectral algorithm for periodic reordering. By generalizing the range-dependent random graph class of Grindrod (2002, Range-dependent random graphs and their application to modeling large small-world proteome datasets. Phys. Rev. E, 66, 066702-1–066702-7) to the periodic case, we can also construct a computable likelihood ratio that suggests whether a given network is inherently linear or periodic. Tests on synthetic data show that the new algorithm can detect periodic structure, even in the presence of noise. Further experiments on real biological data sets then show that some networks are better regarded as periodic than linear. Hence, we find both qualitative (reordered networks plots) and quantitative (likelihood ratios) evidence of periodicity in biological networks.

Did farming arise from a misapplication of social intelligence?

The origins of farming is the defining event of human history-the one turning point that has resulted in modern humans having a quite different type of lifestyle and cognition to all other animals and past types of humans. With the economic basis provided by farming, human individuals and societies have developed types of material culture that greatly augment powers of memory and computation, extending the human mental capacity far beyond that which the brain alone can provide. Archaeologists have long debated and discussed why people began living in settled communities and became dependent on cultivated plants and animals, which soon evolved into domesticated forms. One of the most intriguing explanations was proposed more than 20 years ago not by an archaeologist but by a psychologist: Nicholas Humphrey suggested that farming arose from the 'misapplication of social intelligence'. I explore this idea in relation to recent discoveries and archaeological interpretations in the Near East, arguing that social intelligence has indeed played a key role in the origin of farming and hence the emergence of the modern world.

Scalability of efficient parallel K-Means

Clustering is defined as the grouping of similar items in a set, and is an important process within the field of data mining. As the amount of data for various applications continues to increase, in terms of its size and dimensionality, it is necessary to have efficient clustering methods. A popular clustering algorithm is K-Means, which adopts a greedy approach to produce a set of K-clusters with associated centres of mass, and uses a squared error distortion measure to determine convergence. Methods for improving the efficiency of K-Means have been largely explored in two main directions. The amount of computation can be significantly reduced by adopting a more efficient data structure, notably a multi-dimensional binary search tree (KD-Tree) to store either centroids or data points. A second direction is parallel processing, where data and computation loads are distributed over many processing nodes. However, little work has been done to provide a parallel formulation of the efficient sequential techniques based on KD-Trees. Such approaches are expected to have an irregular distribution of computation load and can suffer from load imbalance. This issue has so far limited the adoption of these efficient K-Means techniques in parallel computational environments. In this work, we provide a parallel formulation for the KD-Tree based K-Means algorithm and address its load balancing issues.

6-man chess solved

Eugene Nalimov has completed the computation of a set of endgame tables for 6-man chess, and independently, Marc Bourzutschky has completed tables for 3-3 chess and for 4-2 chess where Black is not just ‘KP’. The ICGA salutes both achievements and looks ahead.

Secrets of Pawnless Endings

It is now 32 years since Ströhlein’s pioneering computation of KRKN and ten years since the publication of Nunn’s Secrets of Rook Endings. This book defined a new genre under his authorship and editorship (Nunn, 1992, 1994, 1995; Müller and Lamprecht, 1999, 2001) and has merited a second edition. Now comes the second edition of Secrets of Pawnless Endings.

PRISM and ENES: a European approach to Earth system modelling

Europe's widely distributed climate modelling expertise, now organized in the European Network for Earth System Modelling (ENES), is both a strength and a challenge. Recognizing this, the European Union's Program for Integrated Earth System Modelling (PRISM) infrastructure project aims at designing a flexible and friendly user environment to assemble, run and post-process Earth System models. PRISM was started in December 2001 with a duration of three years. This paper presents the major stages of PRISM, including: (1) the definition and promotion of scientific and technical standards to increase component modularity; (2) the development of an end-to-end software environment (graphical user interface, coupling and I/O system, diagnostics, visualization) to launch, monitor and analyse complex Earth system models built around state-of-art community component models (atmosphere, ocean, atmospheric chemistry, ocean bio-chemistry, sea-ice, land-surface); and (3) testing and quality standards to ensure high-performance computing performance on a variety of platforms. PRISM is emerging as a core strategic software infrastructure for building the European research area in Earth system sciences. Copyright (c) 2005 John Wiley & Sons, Ltd.

The accuracy of using the Ulysses result of the spatial invariance of the radial heliospheric field to compute the open solar flux

We survey observations of the radial magnetic field in the heliosphere as a function of position, sunspot number, and sunspot cycle phase. We show that most of the differences between pairs of simultaneous observations, normalized using the square of the heliocentric distance and averaged over solar rotations, are consistent with the kinematic "flux excess" effect whereby the radial component of the frozen-in heliospheric field is increased by longitudinal solar wind speed structure. In particular, the survey shows that, as expected, the flux excess effect at high latitudes is almost completely absent during sunspot minimum but is almost the same as within the streamer belt at sunspot maximum. We study the uncertainty inherent in the use of the Ulysses result that the radial field is independent of heliographic latitude in the computation of the total open solar flux: we show that after the kinematic correction for the excess flux effect has been made it causes errors that are smaller than 4.5%, with a most likely value of 2.5%. The importance of this result for understanding temporal evolution of the open solar flux is reviewed.

Evaluating a new LISFLOOD-FP formulation with data from the summer 2007 floods in Tewkesbury, UK

Two-dimensional flood inundation modelling is a widely used tool to aid flood risk management. In urban areas, where asset value and population density are greatest, the model spatial resolution required to represent flows through a typical street network (i.e. < 10m) often results in impractical computational cost at the whole city scale. Explicit diffusive storage cell models become very inefficient at such high resolutions, relative to shallow water models, because the stable time step in such schemes scales as a quadratic of resolution. This paper presents the calibration and evaluation of a recently developed new formulation of the LISFLOOD-FP model, where stability is controlled by the Courant–Freidrichs–Levy condition for the shallow water equations, such that, the stable time step instead scales linearly with resolution. The case study used is based on observations during the summer 2007 floods in Tewkesbury, UK. Aerial photography is available for model evaluation on three separate days from the 24th to the 31st of July. The model covered a 3.6 km by 2 km domain and was calibrated using gauge data from high flows during the previous month. The new formulation was benchmarked against the original version of the model at 20 m and 40 m resolutions, demonstrating equally accurate performance given the available validation data but at 67x faster computation time. The July event was then simulated at the 2 m resolution of the available airborne LiDAR DEM. This resulted in a significantly more accurate simulation of the drying dynamics compared to that simulated by the coarse resolution models, although estimates of peak inundation depth were similar.

Global scale water stages from SAR imagery (GlosSARi) to support global flood forecasting

Despite the success of studies attempting to integrate remotely sensed data and flood modelling and the need to provide near-real time data routinely on a global scale as well as setting up online data archives, there is to date a lack of spatially and temporally distributed hydraulic parameters to support ongoing efforts in modelling. Therefore, the objective of this project is to provide a global evaluation and benchmark data set of floodplain water stages with uncertainties and assimilation in a large scale flood model using space-borne radar imagery. An algorithm is developed for automated retrieval of water stages with uncertainties from a sequence of radar imagery and data are assimilated in a flood model using the Tewkesbury 2007 flood event as a feasibility study. The retrieval method that we employ is based on possibility theory which is an extension of fuzzy sets and that encompasses probability theory. In our case we first attempt to identify main sources of uncertainty in the retrieval of water stages from radar imagery for which we define physically meaningful ranges of parameter values. Possibilities of values are then computed for each parameter using a triangular ‘membership’ function. This procedure allows the computation of possible values of water stages at maximum flood extents along a river at many different locations. At a later stage in the project these data are then used in assimilation, calibration or validation of a flood model. The application is subsequently extended to a global scale using wide swath radar imagery and a simple global flood forecasting model thereby providing improved river discharge estimates to update the latter.

Dynamic load balancing in parallel KD-tree k-means

One among the most influential and popular data mining methods is the k-Means algorithm for cluster analysis. Techniques for improving the efficiency of k-Means have been largely explored in two main directions. The amount of computation can be significantly reduced by adopting geometrical constraints and an efficient data structure, notably a multidimensional binary search tree (KD-Tree). These techniques allow to reduce the number of distance computations the algorithm performs at each iteration. A second direction is parallel processing, where data and computation loads are distributed over many processing nodes. However, little work has been done to provide a parallel formulation of the efficient sequential techniques based on KD-Trees. Such approaches are expected to have an irregular distribution of computation load and can suffer from load imbalance. This issue has so far limited the adoption of these efficient k-Means variants in parallel computing environments. In this work, we provide a parallel formulation of the KD-Tree based k-Means algorithm for distributed memory systems and address its load balancing issue. Three solutions have been developed and tested. Two approaches are based on a static partitioning of the data set and a third solution incorporates a dynamic load balancing policy.

Active networks: an evolution of the internet

Active Networks can be seen as an evolution of the classical model of packet-switched networks. The traditional and ”passive” network model is based on a static definition of the network node behaviour. Active Networks propose an “active” model where the intermediate nodes (switches and routers) can load and execute user code contained in the data units (packets). Active Networks are a programmable network model, where bandwidth and computation are both considered shared network resources. This approach opens up new interesting research fields. This paper gives a short introduction of Active Networks, discusses the advantages they introduce and presents the research advances in this field.