Matched Filters for Noisy Induced Subgraph Detection

The problem of finding the vertex correspondence between two noisy graphs with different number of vertices where the smaller graph is still large has many applications in social networks, neuroscience, and computer vision. We propose a solution to this problem via a graph matching matched filter: centering and padding the smaller adjacency matrix and applying graph matching methods to align it to the larger network. The centering and padding schemes can be incorporated into any algorithm that matches using adjacency matrices. Under a statistical model for correlated pairs of graphs, which yields a noisy copy of the small graph within the larger graph, the resulting optimization problem can be guaranteed to recover the true vertex correspondence between the networks. However, there are currently no efficient algorithms for solving this problem. To illustrate the possibilities and challenges of such problems, we use an algorithm that can exploit a partially known correspondence and show via varied simulations and applications to {\it Drosophila} and human connectomes that this approach can achieve good performance.Comment: 41 pages, 7 figure

Matched filters for noisy induced subgraph detection

First author draftWe consider the problem of finding the vertex correspondence between two graphs with different number of vertices where the smaller graph is still potentially large. We propose a solution to this problem via a graph matching matched filter: padding the smaller graph in different ways and then using graph matching methods to align it to the larger network. Under a statistical model for correlated pairs of graphs, which yields a noisy copy of the small graph within the larger graph, the resulting optimization problem can be guaranteed to recover the true vertex correspondence between the networks, though there are currently no efficient algorithms for solving this problem. We consider an approach that exploits a partially known correspondence and show via varied simulations and applications to the Drosophila connectome that in practice this approach can achieve good performance.https://arxiv.org/abs/1803.02423https://arxiv.org/abs/1803.0242

A Selectivity based approach to Continuous Pattern Detection in Streaming Graphs

Cyber security is one of the most significant technical challenges in current times. Detecting adversarial activities, prevention of theft of intellectual properties and customer data is a high priority for corporations and government agencies around the world. Cyber defenders need to analyze massive-scale, high-resolution network flows to identify, categorize, and mitigate attacks involving networks spanning institutional and national boundaries. Many of the cyber attacks can be described as subgraph patterns, with prominent examples being insider infiltrations (path queries), denial of service (parallel paths) and malicious spreads (tree queries). This motivates us to explore subgraph matching on streaming graphs in a continuous setting. The novelty of our work lies in using the subgraph distributional statistics collected from the streaming graph to determine the query processing strategy. We introduce a "Lazy Search" algorithm where the search strategy is decided on a vertex-to-vertex basis depending on the likelihood of a match in the vertex neighborhood. We also propose a metric named "Relative Selectivity" that is used to select between different query processing strategies. Our experiments performed on real online news, network traffic stream and a synthetic social network benchmark demonstrate 10-100x speedups over selectivity agnostic approaches.Comment: in 18th International Conference on Extending Database Technology (EDBT) (2015

Maximum common subgraph isomorphism algorithms for the matching of chemical structures

The maximum common subgraph (MCS) problem has become increasingly important in those aspects of chemoinformatics that involve the matching of 2D or 3D chemical structures. This paper provides a classification and a review of the many MCS algorithms, both exact and approximate, that have been described in the literature, and makes recommendations regarding their applicability to typical chemoinformatics tasks

Capturing Topology in Graph Pattern Matching

Graph pattern matching is often defined in terms of subgraph isomorphism, an NP-complete problem. To lower its complexity, various extensions of graph simulation have been considered instead. These extensions allow pattern matching to be conducted in cubic-time. However, they fall short of capturing the topology of data graphs, i.e., graphs may have a structure drastically different from pattern graphs they match, and the matches found are often too large to understand and analyze. To rectify these problems, this paper proposes a notion of strong simulation, a revision of graph simulation, for graph pattern matching. (1) We identify a set of criteria for preserving the topology of graphs matched. We show that strong simulation preserves the topology of data graphs and finds a bounded number of matches. (2) We show that strong simulation retains the same complexity as earlier extensions of simulation, by providing a cubic-time algorithm for computing strong simulation. (3) We present the locality property of strong simulation, which allows us to effectively conduct pattern matching on distributed graphs. (4) We experimentally verify the effectiveness and efficiency of these algorithms, using real-life data and synthetic data.Comment: VLDB201

Subgraph covers -- An information theoretic approach to motif analysis in networks

Many real world networks contain a statistically surprising number of certain subgraphs, called network motifs. In the prevalent approach to motif analysis, network motifs are detected by comparing subgraph frequencies in the original network with a statistical null model. In this paper we propose an alternative approach to motif analysis where network motifs are defined to be connectivity patterns that occur in a subgraph cover that represents the network using minimal total information. A subgraph cover is defined to be a set of subgraphs such that every edge of the graph is contained in at least one of the subgraphs in the cover. Some recently introduced random graph models that can incorporate significant densities of motifs have natural formulations in terms of subgraph covers and the presented approach can be used to match networks with such models. To prove the practical value of our approach we also present a heuristic for the resulting NP-hard optimization problem and give results for several real world networks.Comment: 10 pages, 7 tables, 1 Figur

Generic Strategies for Chemical Space Exploration

Computational approaches to exploring "chemical universes", i.e., very large sets, potentially infinite sets of compounds that can be constructed by a prescribed collection of reaction mechanisms, in practice suffer from a combinatorial explosion. It quickly becomes impossible to test, for all pairs of compounds in a rapidly growing network, whether they can react with each other. More sophisticated and efficient strategies are therefore required to construct very large chemical reaction networks. Undirected labeled graphs and graph rewriting are natural models of chemical compounds and chemical reactions. Borrowing the idea of partial evaluation from functional programming, we introduce partial applications of rewrite rules. Binding substrate to rules increases the number of rules but drastically prunes the substrate sets to which it might match, resulting in dramatically reduced resource requirements. At the same time, exploration strategies can be guided, e.g. based on restrictions on the product molecules to avoid the explicit enumeration of very unlikely compounds. To this end we introduce here a generic framework for the specification of exploration strategies in graph-rewriting systems. Using key examples of complex chemical networks from sugar chemistry and the realm of metabolic networks we demonstrate the feasibility of a high-level strategy framework. The ideas presented here can not only be used for a strategy-based chemical space exploration that has close correspondence of experimental results, but are much more general. In particular, the framework can be used to emulate higher-level transformation models such as illustrated in a small puzzle game

Frequent Pattern Finding in Integrated Biological Networks

Biomedical research is undergoing a revolution with the advance of high-throughput technologies. A major challenge in the post-genomic era is to understand how genes, proteins and small molecules are organized into signaling pathways and regulatory networks. To simplify the analysis of large complex molecular networks, strategies are sought to break them down into small yet relatively independent network modules, e.g. pathways and protein complexes. In fulfillment of the motivation to find evolutionary origins of network modules, a novel strategy has been developed to uncover duplicated pathways and protein complexes. This search was first formulated into a computational problem which finds frequent patterns in integrated graphs. The whole framework was then successfully implemented as the software package BLUNT, which includes a parallelized version. To evaluate the biological significance of the work, several large datasets were chosen, with each dataset targeting a different biological question. An application of BLUNT was performed on the yeast protein-protein interaction network, which is described. A large number of frequent patterns were discovered and predicted to be duplicated pathways. To explore how these pathways may have diverged since duplication, the differential regulation of duplicated pathways was studied at the transcriptional level, both in terms of time and location. As demonstrated, this algorithm can be used as new data mining tool for large scale biological data in general. It also provides a novel strategy to study the evolution of pathways and protein complexes in a systematic way. Understanding how pathways and protein complexes evolve will greatly benefit the fundamentals of biomedical research