Reductions for Frequency-Based Data Mining Problems

Studying the computational complexity of problems is one of the - if not the - fundamental questions in computer science. Yet, surprisingly little is known about the computational complexity of many central problems in data mining. In this paper we study frequency-based problems and propose a new type of reduction that allows us to compare the complexities of the maximal frequent pattern mining problems in different domains (e.g. graphs or sequences). Our results extend those of Kimelfeld and Kolaitis [ACM TODS, 2014] to a broader range of data mining problems. Our results show that, by allowing constraints in the pattern space, the complexities of many maximal frequent pattern mining problems collapse. These problems include maximal frequent subgraphs in labelled graphs, maximal frequent itemsets, and maximal frequent subsequences with no repetitions. In addition to theoretical interest, our results might yield more efficient algorithms for the studied problems.Comment: This is an extended version of a paper of the same title to appear in the Proceedings of the 17th IEEE International Conference on Data Mining (ICDM'17

Mining Representative Unsubstituted Graph Patterns Using Prior Similarity Matrix

One of the most powerful techniques to study protein structures is to look for recurrent fragments (also called substructures or spatial motifs), then use them as patterns to characterize the proteins under study. An emergent trend consists in parsing proteins three-dimensional (3D) structures into graphs of amino acids. Hence, the search of recurrent spatial motifs is formulated as a process of frequent subgraph discovery where each subgraph represents a spatial motif. In this scope, several efficient approaches for frequent subgraph discovery have been proposed in the literature. However, the set of discovered frequent subgraphs is too large to be efficiently analyzed and explored in any further process. In this paper, we propose a novel pattern selection approach that shrinks the large number of discovered frequent subgraphs by selecting the representative ones. Existing pattern selection approaches do not exploit the domain knowledge. Yet, in our approach we incorporate the evolutionary information of amino acids defined in the substitution matrices in order to select the representative subgraphs. We show the effectiveness of our approach on a number of real datasets. The results issued from our experiments show that our approach is able to considerably decrease the number of motifs while enhancing their interestingness

Inductive queries for a drug designing robot scientist

It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that are being performed. In this chapter, we summarise several key challenges in achieving this integration of machine learning and data mining algorithms in methods for the discovery of Quantitative Structure Activity Relationships (QSARs). We introduce the concept of a robot scientist, in which all steps of the discovery process are automated; we discuss the representation of molecular data such that knowledge discovery tools can analyse it, and we discuss the adaptation of machine learning and data mining algorithms to guide QSAR experiments

Core Decomposition in Multilayer Networks: Theory, Algorithms, and Applications

Multilayer networks are a powerful paradigm to model complex systems, where multiple relations occur between the same entities. Despite the keen interest in a variety of tasks, algorithms, and analyses in this type of network, the problem of extracting dense subgraphs has remained largely unexplored so far. In this work we study the problem of core decomposition of a multilayer network. The multilayer context is much challenging as no total order exists among multilayer cores; rather, they form a lattice whose size is exponential in the number of layers. In this setting we devise three algorithms which differ in the way they visit the core lattice and in their pruning techniques. We then move a step forward and study the problem of extracting the inner-most (also known as maximal) cores, i.e., the cores that are not dominated by any other core in terms of their core index in all the layers. Inner-most cores are typically orders of magnitude less than all the cores. Motivated by this, we devise an algorithm that effectively exploits the maximality property and extracts inner-most cores directly, without first computing a complete decomposition. Finally, we showcase the multilayer core-decomposition tool in a variety of scenarios and problems. We start by considering the problem of densest-subgraph extraction in multilayer networks. We introduce a definition of multilayer densest subgraph that trades-off between high density and number of layers in which the high density holds, and exploit multilayer core decomposition to approximate this problem with quality guarantees. As further applications, we show how to utilize multilayer core decomposition to speed-up the extraction of frequent cross-graph quasi-cliques and to generalize the community-search problem to the multilayer setting

Enumerating Maximal Bicliques from a Large Graph using MapReduce

We consider the enumeration of maximal bipartite cliques (bicliques) from a large graph, a task central to many practical data mining problems in social network analysis and bioinformatics. We present novel parallel algorithms for the MapReduce platform, and an experimental evaluation using Hadoop MapReduce. Our algorithm is based on clustering the input graph into smaller sized subgraphs, followed by processing different subgraphs in parallel. Our algorithm uses two ideas that enable it to scale to large graphs: (1) the redundancy in work between different subgraph explorations is minimized through a careful pruning of the search space, and (2) the load on different reducers is balanced through the use of an appropriate total order among the vertices. Our evaluation shows that the algorithm scales to large graphs with millions of edges and tens of mil- lions of maximal bicliques. To our knowledge, this is the first work on maximal biclique enumeration for graphs of this scale.Comment: A preliminary version of the paper was accepted at the Proceedings of the 3rd IEEE International Congress on Big Data 201

Mining Maximal Cliques from an Uncertain Graph

We consider mining dense substructures (maximal cliques) from an uncertain graph, which is a probability distribution on a set of deterministic graphs. For parameter 0 < {\alpha} < 1, we present a precise definition of an {\alpha}-maximal clique in an uncertain graph. We present matching upper and lower bounds on the number of {\alpha}-maximal cliques possible within an uncertain graph. We present an algorithm to enumerate {\alpha}-maximal cliques in an uncertain graph whose worst-case runtime is near-optimal, and an experimental evaluation showing the practical utility of the algorithm.Comment: ICDE 201