When is a Network a Network? Multi-Order Graphical Model Selection in Pathways and Temporal Networks

We introduce a framework for the modeling of sequential data capturing pathways of varying lengths observed in a network. Such data are important, e.g., when studying click streams in information networks, travel patterns in transportation systems, information cascades in social networks, biological pathways or time-stamped social interactions. While it is common to apply graph analytics and network analysis to such data, recent works have shown that temporal correlations can invalidate the results of such methods. This raises a fundamental question: when is a network abstraction of sequential data justified? Addressing this open question, we propose a framework which combines Markov chains of multiple, higher orders into a multi-layer graphical model that captures temporal correlations in pathways at multiple length scales simultaneously. We develop a model selection technique to infer the optimal number of layers of such a model and show that it outperforms previously used Markov order detection techniques. An application to eight real-world data sets on pathways and temporal networks shows that it allows to infer graphical models which capture both topological and temporal characteristics of such data. Our work highlights fallacies of network abstractions and provides a principled answer to the open question when they are justified. Generalizing network representations to multi-order graphical models, it opens perspectives for new data mining and knowledge discovery algorithms.Comment: 10 pages, 4 figures, 1 table, companion python package pathpy available on gitHu

Dynamic load balancing for the distributed mining of molecular structures

In molecular biology, it is often desirable to find common properties in large numbers of drug candidates. One family of methods stems from the data mining community, where algorithms to find frequent graphs have received increasing attention over the past years. However, the computational complexity of the underlying problem and the large amount of data to be explored essentially render sequential algorithms useless. In this paper, we present a distributed approach to the frequent subgraph mining problem to discover interesting patterns in molecular compounds. This problem is characterized by a highly irregular search tree, whereby no reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely, a dynamic partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiverinitiated load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening data set, where we were able to show close-to linear speedup in a network of workstations. The proposed approach also allows for dynamic resource aggregation in a non dedicated computational environment. These features make it suitable for large-scale, multi-domain, heterogeneous environments, such as computational grids

A Progressive Clustering Algorithm to Group the XML Data by Structural and Semantic Similarity

Since the emergence in the popularity of XML for data representation and exchange over the Web, the distribution of XML documents has rapidly increased. It has become a challenge for researchers to turn these documents into a more useful information utility. In this paper, we introduce a novel clustering algorithm PCXSS that keeps the heterogeneous XML documents into various groups according to their similar structural and semantic representations. We develop a global criterion function CPSim that progressively measures the similarity between a XML document and existing clusters, ignoring the need to compute the similarity between two individual documents. The experimental analysis shows the method to be fast and accurate