A Hierarchical Distributed Approach for Mining Molecular Fragments
Christoph Sieb, Giuseppe Di Fatta, Michael R. Berthold · CentAUR (University of Reading) · 2006
Abstract. Recently, two approaches have been introduced that dis-tribute the molecular fragment mining problem. The first approach ap-plies a master/worker topology, the second approach, a completely dis-tributed 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 com-puting power is not accessible to accelerate the mining run. To solve this shortcoming, this work introduces a hierarchical topology of comput-ing 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 de-signed and optimized for the hierarchical structure. The approach allows dynamic aggregation of heterogenous computing resources and is applied to wide area network scenarios. 1