GPD: A Graph Pattern Diffusion Kernel for Accurate Graph Classification with Applications in Cheminformatics

Graph data mining is an active research area. Graphs are general modeling tools to organize information from heterogeneous sources and have been applied in many scientific, engineering, and business fields. With the fast accumulation of graph data, building highly accurate predictive models for graph data emerges as a new challenge that has not been fully explored in the data mining community. In this paper, we demonstrate a novel technique called graph pattern diffusion (GPD) kernel. Our idea is to leverage existing frequent pattern discovery methods and to explore the application of kernel classifier (e.g., support vector machine) in building highly accurate graph classification. In our method, we first identify all frequent patterns from a graph database. We then map subgraphs to graphs in the graph database and use a process we call “pattern diffusion” to label nodes in the graphs. Finally, we designed a graph alignment algorithm to compute the inner product of two graphs. We have tested our algorithm using a number of chemical structure data. The experimental results demonstrate that our method is significantly better than competing methods such as those kernel functions based on paths, cycles, and subgraphs

Graph Sample and Hold: A Framework for Big-Graph Analytics

Sampling is a standard approach in big-graph analytics; the goal is to efficiently estimate the graph properties by consulting a sample of the whole population. A perfect sample is assumed to mirror every property of the whole population. Unfortunately, such a perfect sample is hard to collect in complex populations such as graphs (e.g. web graphs, social networks etc), where an underlying network connects the units of the population. Therefore, a good sample will be representative in the sense that graph properties of interest can be estimated with a known degree of accuracy. While previous work focused particularly on sampling schemes used to estimate certain graph properties (e.g. triangle count), much less is known for the case when we need to estimate various graph properties with the same sampling scheme. In this paper, we propose a generic stream sampling framework for big-graph analytics, called Graph Sample and Hold (gSH). To begin, the proposed framework samples from massive graphs sequentially in a single pass, one edge at a time, while maintaining a small state. We then show how to produce unbiased estimators for various graph properties from the sample. Given that the graph analysis algorithms will run on a sample instead of the whole population, the runtime complexity of these algorithm is kept under control. Moreover, given that the estimators of graph properties are unbiased, the approximation error is kept under control. Finally, we show the performance of the proposed framework (gSH) on various types of graphs, such as social graphs, among others

High Performance Frequent Subgraph Mining on Transactional Datasets

Graph data mining has been a crucial as well as inevitable area of research. Large amounts of graph data are produced in many areas, such as Bioinformatics, Cheminformatics, Social Networks, and Web etc. Scalable graph data mining methods are getting increasingly popular and necessary due to increased graph complexities. Frequent subgraph mining is one such area where the task is to find overly recurring patterns/subgraphs. To tackle this problem, many main memory-based methods were proposed, which proved to be inefficient as the data size grew exponentially over time. In the past few years several research groups have attempted to handle the frequent subgraph mining (FSM) problem in multiple ways. Many authors have tried to achieve better performance using Graphic Processing Units (GPUs) which has multi-fold improvement over in-memory while dealing with large datasets. Later, Google\u27s MapReduce model with the Hadoop framework proved to be a major breakthrough in high performance large batch processing. Although MapReduce came with many benefits, its disk I/O and non-iterative style model could not help much for FSM domain since subgraph mining process is an iterative approach. In recent years, Spark has emerged to be the De Facto industry standard with its distributed in-memory computing capability. This is a right fit solution for iterative style of programming as well. In this work, we cover how high-performance computing has helped in improving the performance tremendously in the transactional directed and undirected aspect of graphs and performance comparisons of various FSM techniques are done based on experimental results

Kernel Functions for Graph Classification

Graphs are information-rich structures, but their complexity makes them difficult to analyze. Given their broad and powerful representation capacity, the classification of graphs has become an intense area of research. Many established classifiers represent objects with vectors of explicit features. When the number of features grows, however, these vector representations suffer from typical problems of high dimensionality such as overfitting and high computation time. This work instead focuses on using kernel functions to map graphs into implicity defined spaces that avoid the difficulties of vector representations. The introduction of kernel classifiers has kindled great interest in kernel functions for graph data. By using kernels the problem of graph classification changes from finding a good classifier to finding a good kernel function. This work explores several novel uses of kernel functions for graph classification. The first technique is the use of structure based features to add structural information to the kernel function. A strength of this approach is the ability to identify specific structure features that contribute significantly to the classification process. Discriminative structures can then be passed off to domain-specific researchers for additional analysis. The next approach is the use of wavelet functions to represent graph topology as simple real-valued features. This approach achieves order-of-magnitude decreases in kernel computation time by eliminating costly topological comparisons, while retaining competitive classification accuracy. Finally, this work examines the use of even simpler graph representations and their utility for classification. The models produced from the kernel functions presented here yield excellent performance with respect to both efficiency and accuracy, as demonstrated in a variety of experimental studies

VISUAL SEMANTIC SEGMENTATION AND ITS APPLICATIONS

This dissertation addresses the difficulties of semantic segmentation when dealing with an extensive collection of images and 3D point clouds. Due to the ubiquity of digital cameras that help capture the world around us, as well as the advanced scanning techniques that are able to record 3D replicas of real cities, the sheer amount of visual data available presents many opportunities for both academic research and industrial applications. But the mere quantity of data also poses a tremendous challenge. In particular, the problem of distilling useful information from such a large repository of visual data has attracted ongoing interests in the fields of computer vision and data mining. Structural Semantics are fundamental to understanding both natural and man-made objects. Buildings, for example, are like languages in that they are made up of repeated structures or patterns that can be captured in images. In order to find these recurring patterns in images, I present an unsupervised frequent visual pattern mining approach that goes beyond co-location to identify spatially coherent visual patterns, regardless of their shape, size, locations and orientation. First, my approach categorizes visual items from scale-invariant image primitives with similar appearance using a suite of polynomial-time algorithms that have been designed to identify consistent structural associations among visual items, representing frequent visual patterns. After detecting repetitive image patterns, I use unsupervised and automatic segmentation of the identified patterns to generate more semantically meaningful representations. The underlying assumption is that pixels capturing the same portion of image patterns are visually consistent, while pixels that come from different backdrops are usually inconsistent. I further extend this approach to perform automatic segmentation of foreground objects from an Internet photo collection of landmark locations. New scanning technologies have successfully advanced the digital acquisition of large-scale urban landscapes. In addressing semantic segmentation and reconstruction of this data using LiDAR point clouds and geo-registered images of large-scale residential areas, I develop a complete system that simultaneously uses classification and segmentation methods to first identify different object categories and then apply category-specific reconstruction techniques to create visually pleasing and complete scene models

Scaling Up Network Analysis and Mining: Statistical Sampling, Estimation, and Pattern Discovery

Network analysis and graph mining play a prominent role in providing insights and studying phenomena across various domains, including social, behavioral, biological, transportation, communication, and financial domains. Across all these domains, networks arise as a natural and rich representation for data. Studying these real-world networks is crucial for solving numerous problems that lead to high-impact applications. For example, identifying the behavior and interests of users in online social networks (e.g., viral marketing), monitoring and detecting virus outbreaks in human contact networks, predicting protein functions in biological networks, and detecting anomalous behavior in computer networks. A key characteristic of these networks is that their complex structure is massive and continuously evolving over time, which makes it challenging and computationally intensive to analyze, query, and model these networks in their entirety. In this dissertation, we propose sampling as well as fast, efficient, and scalable methods for network analysis and mining in both static and streaming graphs