Substructure Discovery Using Minimum Description Length and Background Knowledge

The ability to identify interesting and repetitive substructures is an essential component to discovering knowledge in structural data. We describe a new version of our SUBDUE substructure discovery system based on the minimum description length principle. The SUBDUE system discovers substructures that compress the original data and represent structural concepts in the data. By replacing previously-discovered substructures in the data, multiple passes of SUBDUE produce a hierarchical description of the structural regularities in the data. SUBDUE uses a computationally-bounded inexact graph match that identifies similar, but not identical, instances of a substructure and finds an approximate measure of closeness of two substructures when under computational constraints. In addition to the minimum description length principle, other background knowledge can be used by SUBDUE to guide the search towards more appropriate substructures. Experiments in a variety of domains demonstrate SUBDUE's ability to find substructures capable of compressing the original data and to discover structural concepts important to the domain. Description of Online Appendix: This is a compressed tar file containing the SUBDUE discovery system, written in C. The program accepts as input databases represented in graph form, and will output discovered substructures with their corresponding value.Comment: See http://www.jair.org/ for an online appendix and other files accompanying this articl

Designing labeled graph classifiers by exploiting the R\'enyi entropy of the dissimilarity representation

Representing patterns as labeled graphs is becoming increasingly common in the broad field of computational intelligence. Accordingly, a wide repertoire of pattern recognition tools, such as classifiers and knowledge discovery procedures, are nowadays available and tested for various datasets of labeled graphs. However, the design of effective learning procedures operating in the space of labeled graphs is still a challenging problem, especially from the computational complexity viewpoint. In this paper, we present a major improvement of a general-purpose classifier for graphs, which is conceived on an interplay between dissimilarity representation, clustering, information-theoretic techniques, and evolutionary optimization algorithms. The improvement focuses on a specific key subroutine devised to compress the input data. We prove different theorems which are fundamental to the setting of the parameters controlling such a compression operation. We demonstrate the effectiveness of the resulting classifier by benchmarking the developed variants on well-known datasets of labeled graphs, considering as distinct performance indicators the classification accuracy, computing time, and parsimony in terms of structural complexity of the synthesized classification models. The results show state-of-the-art standards in terms of test set accuracy and a considerable speed-up for what concerns the computing time.Comment: Revised versio

Structural graph matching using the EM algorithm and singular value decomposition

This paper describes an efficient algorithm for inexact graph matching. The method is purely structural, that is, it uses only the edge or connectivity structure of the graph and does not draw on node or edge attributes. We make two contributions: 1) commencing from a probability distribution for matching errors, we show how the problem of graph matching can be posed as maximum-likelihood estimation using the apparatus of the EM algorithm; and 2) we cast the recovery of correspondence matches between the graph nodes in a matrix framework. This allows one to efficiently recover correspondence matches using the singular value decomposition. We experiment with the method on both real-world and synthetic data. Here, we demonstrate that the method offers comparable performance to more computationally demanding method

Classifying sequences by the optimized dissimilarity space embedding approach: a case study on the solubility analysis of the E. coli proteome

We evaluate a version of the recently-proposed classification system named Optimized Dissimilarity Space Embedding (ODSE) that operates in the input space of sequences of generic objects. The ODSE system has been originally presented as a classification system for patterns represented as labeled graphs. However, since ODSE is founded on the dissimilarity space representation of the input data, the classifier can be easily adapted to any input domain where it is possible to define a meaningful dissimilarity measure. Here we demonstrate the effectiveness of the ODSE classifier for sequences by considering an application dealing with the recognition of the solubility degree of the Escherichia coli proteome. Solubility, or analogously aggregation propensity, is an important property of protein molecules, which is intimately related to the mechanisms underlying the chemico-physical process of folding. Each protein of our dataset is initially associated with a solubility degree and it is represented as a sequence of symbols, denoting the 20 amino acid residues. The herein obtained computational results, which we stress that have been achieved with no context-dependent tuning of the ODSE system, confirm the validity and generality of the ODSE-based approach for structured data classification.Comment: 10 pages, 49 reference

Graph ambiguity

In this paper, we propose a rigorous way to define the concept of ambiguity in the domain of graphs. In past studies, the classical definition of ambiguity has been derived starting from fuzzy set and fuzzy information theories. Our aim is to show that also in the domain of the graphs it is possible to derive a formulation able to capture the same semantic and mathematical concept. To strengthen the theoretical results, we discuss the application of the graph ambiguity concept to the graph classification setting, conceiving a new kind of inexact graph matching procedure. The results prove that the graph ambiguity concept is a characterizing and discriminative property of graphs. (C) 2013 Elsevier B.V. All rights reserved

Link Prediction by De-anonymization: How We Won the Kaggle Social Network Challenge

This paper describes the winning entry to the IJCNN 2011 Social Network Challenge run by Kaggle.com. The goal of the contest was to promote research on real-world link prediction, and the dataset was a graph obtained by crawling the popular Flickr social photo sharing website, with user identities scrubbed. By de-anonymizing much of the competition test set using our own Flickr crawl, we were able to effectively game the competition. Our attack represents a new application of de-anonymization to gaming machine learning contests, suggesting changes in how future competitions should be run. We introduce a new simulated annealing-based weighted graph matching algorithm for the seeding step of de-anonymization. We also show how to combine de-anonymization with link prediction---the latter is required to achieve good performance on the portion of the test set not de-anonymized---for example by training the predictor on the de-anonymized portion of the test set, and combining probabilistic predictions from de-anonymization and link prediction.Comment: 11 pages, 13 figures; submitted to IJCNN'201

Structured Sparsity: Discrete and Convex approaches

Compressive sensing (CS) exploits sparsity to recover sparse or compressible signals from dimensionality reducing, non-adaptive sensing mechanisms. Sparsity is also used to enhance interpretability in machine learning and statistics applications: While the ambient dimension is vast in modern data analysis problems, the relevant information therein typically resides in a much lower dimensional space. However, many solutions proposed nowadays do not leverage the true underlying structure. Recent results in CS extend the simple sparsity idea to more sophisticated {\em structured} sparsity models, which describe the interdependency between the nonzero components of a signal, allowing to increase the interpretability of the results and lead to better recovery performance. In order to better understand the impact of structured sparsity, in this chapter we analyze the connections between the discrete models and their convex relaxations, highlighting their relative advantages. We start with the general group sparse model and then elaborate on two important special cases: the dispersive and the hierarchical models. For each, we present the models in their discrete nature, discuss how to solve the ensuing discrete problems and then describe convex relaxations. We also consider more general structures as defined by set functions and present their convex proxies. Further, we discuss efficient optimization solutions for structured sparsity problems and illustrate structured sparsity in action via three applications.Comment: 30 pages, 18 figure