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Dynamic load balancing for the distributed mining of molecular structures

Di Fatta, G. and Berthold, M.R. (2006) Dynamic load balancing for the distributed mining of molecular structures. IEEE Transactions on Parallel and Distributed Systems, 17 (8). pp. 773-785. ISSN 1045-9219

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To link to this item DOI: 10.1109/TPDS.2006.101


In molecular biology, it is often desirable to find common properties in large numbers of drug candidates. One family of methods stems from the data mining community, where algorithms to find frequent graphs have received increasing attention over the past years. However, the computational complexity of the underlying problem and the large amount of data to be explored essentially render sequential algorithms useless. In this paper, we present a distributed approach to the frequent subgraph mining problem to discover interesting patterns in molecular compounds. This problem is characterized by a highly irregular search tree, whereby no reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely, a dynamic partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiverinitiated load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening data set, where we were able to show close-to linear speedup in a network of workstations. The proposed approach also allows for dynamic resource aggregation in a non dedicated computational environment. These features make it suitable for large-scale, multi-domain, heterogeneous environments, such as computational grids.

Item Type:Article
Divisions:Science > School of Mathematical, Physical and Computational Sciences > Department of Computer Science
ID Code:4490
Uncontrolled Keywords:distributed computing, peer-to-peer computing, dynamic load balancing, subgraph mining, frequent patterns, biochemical databases, molecular compounds.
Publisher:Institute of Electrical and Electronics Engineers (IEEE)
Publisher Statement:©2006 IEEE. Personal use of this material is permitted. However, permission to reprint/republish this material for advertising or promotional purposes or for creating new collective works for resale or redistribution to servers or lists, or to reuse any copyrighted component of this work in other works must be obtained from the IEEE


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