Pattern discovery in structural databases with applications to bioinformatics

Frequent structure mining (FSM) aims to discover and extract patterns frequently occurring in structural data such as trees and graphs. FSM finds many applications in bioinformatics, XML processing, Web log analysis, and so on. In this thesis, two new FSM techniques are proposed for finding patterns in unordered labeled trees. Such trees can be used to model evolutionary histories of different species, among others. The first FSM technique finds cousin pairs in the trees. A cousin pair is a pair of nodes sharing the same parent, the same grandparent, or the same great-grandparent, etc. Given a tree T, our algorithm finds all interesting cousin pairs of T in O(|T|2) time where |T| is the number of nodes in T. Experimental results on synthetic data and phylogenies show the scalability and effectiveness of the proposed technique. This technique has been applied to locating co-occurring patterns in multiple evolutionary trees, evaluating the consensus of equally parsimonious trees, and finding kernel trees of groups of phylogenies. The technique is also extended to undirected acyclic graphs (or free trees). The second FSM technique extends traditional MAST (maximum agreement subtree) algorithms by employing the Apriori data mining technique to find frequent agreement subtrees in multiple phylogenies. The correctness and completeness of the new mining algorithm are presented. The method is also extended to unrooted phylogenetic trees. Both FSM techniques studied in the thesis have been implemented into a toolkit, which is fully operational and accessible on the World Wide Web

EvoMiner: Frequent Subtree Mining in Phylogenetic Databases

The problem of mining collections of trees to identify common patterns, called frequent subtrees (FSTs), arises often when trying to interpret the results of phylogenetic analysis. FST mining generalizes the well-known maximum agreement subtree problem. Here we present EvoMiner, a new algorithm for mining frequent subtrees in collections of phylogenetic trees. EvoMiner is an Apriori-like level-wise method, which uses a novel phylogeny-specific constant-time candidate generation scheme, an efficient fingerprinting-based technique for downward closure, and a lowest common ancestor based support counting step that requires neither costly subtree operations nor database traversal. Our algorithm achieves speed-ups of up to 100 times or more over Phylominer, the current state-of-the-art algorithm for mining phylogenetic trees. EvoMiner can also work in depth first enumeration mode, to use less memory at the expense of speed. We demonstrate the utility of FST mining as a way to extract meaningful phylogenetic information from collections of trees when compared to maximum agreement subtrees and majority rule trees --- two commonly used approaches in phylogenetic analysis for extracting consensus information from a collection of trees over a common leaf set

Towards a Taxonomically Intelligent Phylogenetic Database

This note outlines some of the key intellectual obstacles that stand in the way of creating a usable phylogenetic database. These challenges include the need to accommodate multiple taxonomic names and classifications, and the need for tools to query trees in biologically meaningful ways. Until these problems are addressed, and a taxonomically intelligent phylogenetic database created, much of our phylogenetic knowledge will languish in the pages of journals

EvoMiner: Frequent Subtree Mining in Phylogenetic Databases

The problem of mining collections of trees to identify common patterns, called frequent subtrees (FSTs), arises often when trying to make sense of the results of phylogenetic analysis. FST mining generalizes the well-known maximum agreement subtree problem. Here we present EvoMiner, a new algorithm for mining frequent subtrees in collections of phylogenetic trees. EvoMiner is an Apriori-like level-wise method, which uses novel phylogeny-specific constant-time candidate generation scheme, an efficient fingerprinting-based technique for downward closure operation, and a lowest common ancestor based support counting step that requires neither costly subtree operations nor database traversal. As a result of these techniques, our algorithm achieves speed-ups of up to 100 times or more over phylominer, another algorithm for mining phylogenetic trees. EvoMiner can also work in vertical mining mode, to use less memory at the expense of speed

Mining substructures in protein data

In this paper we consider the 'Prions' database that describes protein instances stored for Human Prion Proteins. The Prions database can be viewed as a database of rooted ordered labeled subtrees. Mining frequent substructures from tree databases is an important task and it has gained a considerable amount of interest in areas such as XML mining, Bioinformatics, Web mining etc. This has given rise to the development of many tree mining algorithms which can aid in structural comparisons, association rule discovery and in general mining of tree structured knowledge representations. Previously we have developed the MB3 tree mining algorithm, which given a minimum support threshold, efficiently discovers all frequent embedded subtrees from a database of rooted ordered labeled subtrees. In this work we apply the algorithm to the Prions database in order to extract the frequently occurring patterns, which in this case are of induced subtree type. Obtaining the set of frequent induced subtrees from the Prions database can potentially reveal some useful knowledge. This aspect will be demonstrated by providing an analysis of the extracted frequent subtrees with respect to discovering interesting protein information. Furthermore, the minimum support threshold can be used as the controlling factor for answering specific queries posed on the Prions dataset. This approach is shown to be a viable technique for mining protein data

An approximate search engine for structure

As the size of structural databases grows, the need for efficiently searching these databases arises. Thanks to previous and ongoing research, searching by attribute-value and by text has become commonplace in these databases. However, searching by topological or physical structure, especially for large databases and especially for approximate matches, is still an art. In this dissertation, efficient search techniques are presented for retrieving trees from a database that are similar to a given query tree. Rooted ordered labeled trees, rooted unordered labeled trees and free trees are considered. Ordered labeled trees are trees in which each node has a label and the left-to-right order among siblings matters. Unordered labeled trees are trees in which the parent-child relationship is significant, but the order among siblings is unimportant. Free trees (unrooted unordered trees) are acyclic graphs. These trees find many applications in bioinformatics, Web log analysis, phyloinformatics, XML processing, etc. Two types of similarity measures are investigated: (i) counting the mismatching paths in the query tree and a data tree, and (ii) measuring the topological relationship between the trees. The proposed approaches include storing the paths of trees in a suffix array, employing hashing techniques to speed up retrieval, and counting the number of up-down operations to move a token from one node to another node in a tree. Various filters for accelerating a search, different strategies for parallelizing these search algorithms and applications of these algorithms to XML and phylogenetic data management are discussed. The proposed techniques have been implemented into a phylogenetic search engine which is fully operational and is available on the World Wide Web. Experimental results on comparing the similarity measures with existing tree metrics and on evaluating the efficiency of the search techniques demonstrate the effectiveness of the search engine. Future work includes extending the techniques to other structural data, as well as developing new filters and algorithms for speeding up searching and mining in complex structures