Dynamic load balancing for the distributed mining of molecular structures

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

VoG: Summarizing and Understanding Large Graphs

How can we succinctly describe a million-node graph with a few simple sentences? How can we measure the "importance" of a set of discovered subgraphs in a large graph? These are exactly the problems we focus on. Our main ideas are to construct a "vocabulary" of subgraph-types that often occur in real graphs (e.g., stars, cliques, chains), and from a set of subgraphs, find the most succinct description of a graph in terms of this vocabulary. We measure success in a well-founded way by means of the Minimum Description Length (MDL) principle: a subgraph is included in the summary if it decreases the total description length of the graph. Our contributions are three-fold: (a) formulation: we provide a principled encoding scheme to choose vocabulary subgraphs; (b) algorithm: we develop \method, an efficient method to minimize the description cost, and (c) applicability: we report experimental results on multi-million-edge real graphs, including Flickr and the Notre Dame web graph.Comment: SIAM International Conference on Data Mining (SDM) 201

{VoG}: {Summarizing} and Understanding Large Graphs

How can we succinctly describe a million-node graph with a few simple sentences? How can we measure the "importance" of a set of discovered subgraphs in a large graph? These are exactly the problems we focus on. Our main ideas are to construct a "vocabulary" of subgraph-types that often occur in real graphs (e.g., stars, cliques, chains), and from a set of subgraphs, find the most succinct description of a graph in terms of this vocabulary. We measure success in a well-founded way by means of the Minimum Description Length (MDL) principle: a subgraph is included in the summary if it decreases the total description length of the graph. Our contributions are three-fold: (a) formulation: we provide a principled encoding scheme to choose vocabulary subgraphs; (b) algorithm: we develop \method, an efficient method to minimize the description cost, and (c) applicability: we report experimental results on multi-million-edge real graphs, including Flickr and the Notre Dame web graph

HybridMiner: Mining Maximal Frequent Itemsets Using Hybrid Database Representation Approach

In this paper we present a novel hybrid (arraybased layout and vertical bitmap layout) database representation approach for mining complete Maximal Frequent Itemset (MFI) on sparse and large datasets. Our work is novel in terms of scalability, item search order and two horizontal and vertical projection techniques. We also present a maximal algorithm using this hybrid database representation approach. Different experimental results on real and sparse benchmark datasets show that our approach is better than previous state of art maximal algorithms.Comment: 8 Pages In the proceedings of 9th IEEE-INMIC 2005, Karachi, Pakistan, 200