A hierarchical distributed approach for mining molecular fragments

Recently, two approaches have been introduced that distribute the molecular fragment mining problem. The first approach applies a master/worker topology, the second approach, a completely distributed peer-to-peer system, solves the scalability problem due to the bottleneck at the master node. However, in many real world scenarios the participating computing nodes cannot communicate directly due to administrative policies such as security restrictions. Thus, potential computing power is not accessible to accelerate the mining run. To solve this shortcoming, this work introduces a hierarchical topology of computing resources, which distributes the management over several levels and adapts to the natural structure of those multi-domain architectures. The most important aspect is the load balancing scheme, which has been designed and optimized for the hierarchical structure. The approach allows dynamic aggregation of heterogenous computing resources and is applied to wide area network scenarios.

A collaborative working environment for a large scale environmental model

Large scientific applications are usually developed, tested and used by a group of geographically dispersed scientists. The problems associated with the remote development and data sharing could be tackled by using collaborative working environments. There are various tools and software to create collaborative working environments. Some software frameworks, currently available, use these tools and software to enable remote job submission and file transfer on top of existing grid infrastructures. However, for many large scientific applications, further efforts need to be put to prepare a framework which offers application-centric facilities. Unified Air Pollution Model (UNI-DEM), developed by Danish Environmental Research Institute, is an example of a large scientific application which is in a continuous development and experimenting process by different institutes in Europe. This paper intends to design a collaborative distributed computing environment for UNI-DEM in particular but the framework proposed may also fit to many large scientific applications as well.

Different splitting techniques with application to air pollution models

Splitting techniques are commonly used when large-scale models, which appear in different fields of science and engineering, are treated numerically. Four types of splitting procedures are defined and discussed. The problem of the choice of a splitting procedure is investigated. Several numerical tests, by which the influence of the splitting errors on the accuracy of the results is studied, are given. It is shown that the splitting errors decrease linearly when (1) the splitting procedure is of first order and (2) the splitting errors are dominant. Three examples for splitting procedures used in all large-scale air pollution models are presented. Numerical results obtained by a particular air pollution model, Unified Danish Eulerian Model (UNI-DEM), are given and analysed.

Impact of future climate changes on high pollution levels

Changes in climate variability as well as changes in extreme weather and climate events in the 20th century, especially those that took place during the last two to three decades of the 20th century, have been discussed in many recent scientific publications. Attempts to project the results of such studies in the future have been made under different assumptions. In this paper, we have chosen one of the well-known scenarios predicting changes of the climate in the world during the last 30 years of the 21st century. This scenario is used, together with several general predictions related to the future climate, to produce three climatic scenarios. The derived climatic scenarios are used to calculate predictions for future pollution levels in Denmark and in Europe by applying the Unified Danish Eulerian Model (UNI-DEM), on a space domain containing the whole of Europe.

Dynamic knowledge representation in connectionist systems

One of the most pervading concepts underlying computational models of information processing in the brain is linear input integration of rate coded uni-variate information by neurons. After a suitable learning process this results in neuronal structures that statically represent knowledge as a vector of real valued synaptic weights. Although this general framework has contributed to the many successes of connectionism, in this paper we argue that for all but the most basic of cognitive processes, a more complex, multi-variate dynamic neural coding mechanism is required - knowledge should not be spacially bound to a particular neuron or group of neurons. We conclude the paper with discussion of a simple experiment that illustrates dynamic knowledge representation in a spiking neuron connectionist system.

In situ signatures of interchange reconnection between magnetic clouds and open magnetic fields: a mechanism for the erosion of polar coronal holes?

We outline a method to determine the direction of solar open flux transport that results from the opening of magnetic clouds (MCs) by interchange reconnection at the Sun based solely on in-situ observations. This method uses established findings about i) the locations and magnetic polarities of emerging MC footpoints, ii) the hemispheric dependence of the helicity of MCs, and iii) the occurrence of interchange reconnection at the Sun being signaled by uni-directional suprathermal electrons inside MCs. Combining those observational facts in a statistical analysis of MCs during solar cycle 23 (period 1995 – 2007), we show that the time of disappearance of the northern polar coronal hole (1998 – 1999), permeated by an outward-pointing magnetic field, is associated with a peak in the number of MCs originating from the northern hemisphere and connected to the Sun by outward-pointing magnetic field lines. A similar peak is observed in the number of MCs originating from the southern hemisphere and connected to the Sun by inward-pointing magnetic field lines. This pattern is interpreted as the result of interchange reconnection occurring between MCs and the open field lines of nearby polar coronal holes. This reconnection process closes down polar coronal hole open field lines and transports these open field lines equatorward, thus contributing to the global coronal magnetic field reversal process. These results will be further constrainable with the rising phase of solar cycle 24.