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Frequent Subgraph Mining in Outerplanar Graphs
 PROC. 12TH ACM SIGKDD INT. CONF. ON KNOWLEDGE DISCOVERY AND DATA MINING
, 2006
"... In recent years there has been an increased interest in frequent pattern discovery in large databases of graph structured objects. While the frequent connected subgraph mining problem for tree datasets can be solved in incremental polynomial time, it becomes intractable for arbitrary graph databases ..."
Abstract

Cited by 39 (7 self)
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In recent years there has been an increased interest in frequent pattern discovery in large databases of graph structured objects. While the frequent connected subgraph mining problem for tree datasets can be solved in incremental polynomial time, it becomes intractable for arbitrary graph databases. Existing approaches have therefore resorted to various heuristic strategies and restrictions of the search space, but have not identified a practically relevant tractable graph class beyond trees. In this paper, we consider the class of outerplanar graphs, a strict generalization of trees, develop a frequent subgraph mining algorithm for outerplanar graphs, and show that it works in incremental polynomial time for the practically relevant subclass of wellbehaved outerplanar graphs, i.e., which have only polynomially many simple cycles. We evaluate the algorithm empirically on chemo and bioinformatics applications.
Fast Neighborhood Subgraph Pairwise Distance Kernel
"... We introduce a novel graph kernel called the Neighborhood Subgraph Pairwise Distance Kernel. The kernel decomposes a graph into all pairs of neighborhood subgraphs of small radius at increasing distances. We show that using a fast graph invariant we obtain significant speedups in the Gram matrix co ..."
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Cited by 24 (10 self)
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We introduce a novel graph kernel called the Neighborhood Subgraph Pairwise Distance Kernel. The kernel decomposes a graph into all pairs of neighborhood subgraphs of small radius at increasing distances. We show that using a fast graph invariant we obtain significant speedups in the Gram matrix computation. Finally, we test the novel kernel on a wide range of chemoinformatics tasks, from antiviral to anticarcinogenic to toxicological activity prediction, and observe competitive performance when compared against several recent graph kernel methods. 1.
A TreeBased Kernel for Graphs ∗
"... This paper proposes a new treebased kernel for graphs. Graphs are decomposed into multisets of ordered Directed Acyclic Graphs (DAGs) and a family of kernels computed by application of tree kernels extended to the DAG domain. We focus our attention on the efficient development of one member of this ..."
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Cited by 2 (1 self)
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This paper proposes a new treebased kernel for graphs. Graphs are decomposed into multisets of ordered Directed Acyclic Graphs (DAGs) and a family of kernels computed by application of tree kernels extended to the DAG domain. We focus our attention on the efficient development of one member of this family. A technique for speeding up the computation is given, as well as theoretical bounds and practical evidence of its feasibility. State of the art results on various benchmark datasets prove the effectiveness of our approach. 1
Molecular graph augmentation with rings and functional groups
 Journal of Chemical Information and Modeling
, 2010
"... Molecular graphs are a compact representation of molecules, but may be too concise to obtain optimal generalization performance from graphbased machine learning algorithms. Over centuries, chemists have learned what are the important functional groups in molecules. This knowledge is normally not m ..."
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Cited by 2 (1 self)
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Molecular graphs are a compact representation of molecules, but may be too concise to obtain optimal generalization performance from graphbased machine learning algorithms. Over centuries, chemists have learned what are the important functional groups in molecules. This knowledge is normally not manifest in molecular graphs. In this paper, we introduce a simple method to incorporate this type of background knowledge: we insert additional vertices with corresponding edges for each functional group and ring structure identified in the molecule. We present experimental evidence that, on a wide range of ligandbased tasks and data sets, the proposed augmentation method improves the predictive performance over several graph kernel based QSAR models. When the augmentation technique is used with the recent Pairwise Maximal Common Subgraphs Kernel, we achieve a significant improvement over the current stateoftheart on the NCI60 cancer data set in 28 out of 60 cell lines, with the other 32 cell lines showing no significant difference in accuracy. Finally, on the Bursi mutagenicity data set, we obtain nearoptimal predictions. ∗To whom correspondence should be addressed 1
Survey of finding frequent patterns . . .
, 2011
"... Graphs become increasingly important in modeling complicated structures, such as circuits, images, chemical compounds, protein structures, biological networks, social networks, the web, workflows, and XML documents. Many graph search algorithms have been developed in chemical informatics, computer ..."
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Graphs become increasingly important in modeling complicated structures, such as circuits, images, chemical compounds, protein structures, biological networks, social networks, the web, workflows, and XML documents. Many graph search algorithms have been developed in chemical informatics, computer vision, video indexing and text retrieval with the increasing demand on the analysis of large amounts of structured data; graph mining has become an active and important theme in data mining.
GRAPH BASED NEW APPROACH FOR FREQUENT PATTERN MINING
"... ABSTRACT Association rule mining is a function of data mining research domain and frequent pattern mining is an essential part of it. Most of the previous studies on mining frequent patterns based on an Apriori approach, which required more number of database scans and operations for counting patte ..."
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ABSTRACT Association rule mining is a function of data mining research domain and frequent pattern mining is an essential part of it. Most of the previous studies on mining frequent patterns based on an Apriori approach, which required more number of database scans and operations for counting pattern supports in the database. Since the size of each set of transaction may be massive that it makes difficult to perform traditional data mining tasks. This research intends to propose a graph structure that captures only those itemsets that needs to define a sufficiently immense dataset into a submatrix representing important weights and does not give any chance to outliers. We have devised a strategy that covers significant facts of data by drilling down the large data into a succinct form of an Adjacency