gMLC: a multi-label feature selection framework for graph classification

Graph classification has been showing critical importance in a wide variety of applications, e.g. drug activity predictions and toxicology analysis. Current research on graph classification focuses on single-label settings. However, in many applications, each graph data can be assigned with a set of multiple labels simultaneously. Extracting good features using multiple labels of the graphs becomes an important step before graph classification. In this paper, we study the problem of multi-label feature selection for graph classification and propose a novel solution, called gMLC, to efficiently search for optimal subgraph features for graph objects with multiple labels. Different from existing feature selection methods in vector spaces that assume the feature set is given, we perform multi-label feature selection for graph data in a progressive way together with the subgraph feature mining process. We derive an evaluation criterion to estimate the dependence between subgraph features and multiple labels of graphs. Then, a branch-and-bound algorithm is proposed to efficiently search for optimal subgraph features by judiciously pruning the subgraph search space using multiple labels. Empirical studies demonstrate that our feature selection approach can effectively boost multi-label graph classification performances and is more efficient by pruning the subgraph search space using multiple labels.     

GSO:基于图神经网络的深度学习计算图子图替换优化框架

深度学习在各种实际应用中取得了巨大成功,如何有效提高各种复杂的深度学习模型在硬件设备上的执行效率是该领域重要的研究内容之一.深度学习框架通常将深度学习模型表达为由基础算子构成的计算图,为了提高计算图的执行效率,传统的深度学习系统通常基于一些专家设计的子图替换规则,采用启发式搜索算法来优化计算图.它们的不足主要有:1)搜...     

从不确定图中挖掘频繁子图模式

研究不确定图数据的挖掘,主要解决不确定图数据的频繁子图模式挖掘问题.介绍了一种数据模型来表示图的不确定性,以及一种期望支持度来评价子图模式的重要性.利用期望支持度的Apriori性质,给出了一种基于深度优先搜索策略的挖掘算法.该算法使用高效的期望支持度计算方法和搜索空间裁剪技术,使得计算子图模式的期望支持度所需的子图同构测试的数量从指数级降低到线性级.实验结果表明,该算法比简单的深度优先搜索算法快3～5个数量级,有很高的效率和可扩展性.     

Frequent subgraph mining in outerplanar graphs

In recent years there has been an increased interest in frequent pattern discovery in large databases of graph structured objects. While the frequent connected subgraph mining problem for tree datasets can be solved in incremental polynomial time, it becomes intractable for arbitrary graph databases. Existing approaches have therefore resorted to various heuristic strategies and restrictions of the search space, but have not identified a practically relevant tractable graph class beyond trees. In this paper, we consider the class of outerplanar graphs, a strict generalization of trees, develop a frequent subgraph mining algorithm for outerplanar graphs, and show that it works in incremental polynomial time for the practically relevant subclass of well-behaved outerplanar graphs, i.e., which have only polynomially many simple cycles. We evaluate the algorithm empirically on chemo- and bioinformatics applications.     

Fast graph similarity search via hashing and its application on image retrieval

Similarity search in graph databases has been widely investigated. It is worthwhile to develop a fast algorithm to support similarity search in large-scale graph databases. In this paper, we investigate a k-NN (k-Nearest Neighbor) similarity search problem by locality sensitive hashing (LSH). We propose an innovative fast graph search algorithm named LSH-GSS, which first transforms complex graphs into vectorial representations based on prototypes in the database and later accelerates a query in Euclidean space by employing LSH. Because images can be represented as attributed graphs, we propose an approach to transform attributed graphs into n-dimensional vectors and apply LSH-GSS to execute further image retrieval. Experiments on three real graph datasets and two image datasets show that our methods are highly accurate and efficient.     

Using partial evaluation in holistic subgraph search

Because of its wide application, the subgraph matching problem has been studied extensively during the past decade. However, most existing solutions assume that a data graph is a vertex/edge-labeled graph (i.e., each vertex/edge has a simple label). These solutions build structural indices by considering the vertex labels. However, some real graphs contain rich-content vertices such as user profiles in social networks and HTML pages on the World Wide Web. In this study, we consider the problem of subgraph matching using a more general scenario. We build a structural index that does not depend on any vertex content. Based on the index, we design a holistic subgraph matching algorithm that considers the query graph as a whole and finds one match at a time. In order to further improve efficiency, we propose a “partial evaluation and assembly” framework to find subgraph matches over large graphs. Last but not least, our index has light maintenance overhead. Therefore, our method can work well on dynamic graphs. Extensive experiments on real graphs show that our method outperforms the state-of-the-art algorithms.     

Subsea: an efficient heuristic algorithm for subgraph isomorphism

We present a novel approach to the problem of finding all subgraphs and induced subgraphs of a (target) graph which are isomorphic to another (pattern) graph. To attain efficiency we use a special representation of the pattern graph. We also combine our search algorithm with some known bisection algorithms. Experimental comparison with other algorithms was performed on several types of graphs. The comparison results suggest that the approach provided here is most effective when all instances of a subgraph need to be found.     

挖掘不确定频繁子图的改进算法的研究

鉴于图结构能简单方便地描绘复杂的数据以及实际应用中图数据的获得具有不确定性,不确定频繁子图挖掘算法得到广泛的研究。目前一个典型的图挖掘算法是MUSE,但MUSE算法存在期望支持度计算消耗大、时间效率不够高等问题。针对此问题提出了一种基于划分思想混合搜索策略的不确定子图挖掘算法EDFS,它用改进过的GSpan算法进行不确定的子图数据预处理,用裁剪子图模式的搜索空间裁剪不确定子图数据,用基于划分思想的混合策略进行频繁子图的挖掘。子图同构与边存在概率的实验结果证明了EDFS算法能更高效地挖掘出不确定数据频繁子图。     

Graph-based malware detection using dynamic analysis

We introduce a novel malware detection algorithm based on the analysis of graphs constructed from dynamically collected instruction traces of the target executable. These graphs represent Markov chains, where the vertices are the instructions and the transition probabilities are estimated by the data contained in the trace. We use a combination of graph kernels to create a similarity matrix between the instruction trace graphs. The resulting graph kernel measures similarity between graphs on both local and global levels. Finally, the similarity matrix is sent to a support vector machine to perform classification. Our method is particularly appealing because we do not base our classifications on the raw n-gram data, but rather use our data representation to perform classification in graph space. We demonstrate the performance of our algorithm on two classification problems: benign software versus malware, and the Netbull virus with different packers versus other classes of viruses. Our results show a statistically significant improvement over signature-based and other machine learning-based detection methods.     

Querying massive graph data: A compress and search approach

Querying graph data is a fundamental problem that witnesses an increasing interest especially for massive graph databases which come as a promising alternative to relational databases for big data modeling. In this paper, we study the problem of subgraph isomorphism search which consists to enumerate the embedding of a query graph in a data graph. The most known solutions of this NP-complete problem are backtracking-based and result in a high computational cost when we deal with massive graph databases. We address this problem and its challenges via graph compression with modular decomposition. In our approach, subgraph isomorphism search is performed on compressed graphs without decompressing them yielding substantial reduction of the search space and consequently a significant saving in processing time as well as in storage space for the graphs. We evaluated our algorithms on nine real-word datasets. The experimental results show that our approach is efficient and scalable.     

Learning graph prototypes for shape recognition

This paper presents some new approaches for computing graph prototypes in the context of the design of a structural nearest prototype classifier. Four kinds of prototypes are investigated and compared: set median graphs, generalized median graphs, set discriminative graphs and generalized discriminative graphs. They differ according to (i) the graph space where they are searched for and (ii) the objective function which is used for their computation. The first criterion allows to distinguish set prototypes which are selected in the initial graph training set from generalized prototypes which are generated in an infinite set of graphs. The second criterion allows to distinguish median graphs which minimize the sum of distances to all input graphs of a given class from discriminative graphs, which are computed using classification performance as criterion, taking into account the inter-class distribution. For each kind of prototype, the proposed approach allows to identify one or many prototypes per class, in order to manage the trade-off between the classification accuracy and the classification time.Each graph prototype generation/selection is performed through a genetic algorithm which can be specialized to each case by setting the appropriate encoding scheme, fitness and genetic operators.An experimental study performed on several graph databases shows the superiority of the generation approach over the selection one. On the other hand, discriminative prototypes outperform the generative ones. Moreover, we show that the classification rates are improved while the number of prototypes increases. Finally, we show that discriminative prototypes give better results than the median graph based classifier.     

An Efficient Framework for Multiple Subgraph Pattern Matching Models

With the popularity of storing large data graph in cloud, the emergence of subgraph pattern matching on a remote cloud has been inspired. Typically, subgraph pattern matching is defined in terms of subgraph isomorphism, which is an NP-complete problem and sometimes too strict to find useful matches in certain applications. And how to protect the privacy of data graphs in subgraph pattern matching without undermining matching results is an important concern. Thus, we propose a novel framework to achieve the privacy-preserving subgraph pattern matching in cloud. In order to protect the structural privacy in data graphs, we firstly develop a k-automorphism model based method. Additionally, we use a cost-model based label generalization method to protect label privacy in both data graphs and pattern graphs. During the generation of the k-automorphic graph, a large number of noise edges or vertices might be introduced to the original data graph. Thus, we use the outsourced graph, which is only a subset of a k-automorphic graph, to answer the subgraph pattern matching. The efficiency of the pattern matching process can be greatly improved in this way. Extensive experiments on real-world datasets demonstrate the high efficiency of our framework.

     

Facial expression recognition using iterative universum twin support vector machine

Facial expressions are one of the most important characteristics of human behaviour. They are very useful in applications on human computer interaction. To classify facial emotions, different feature extraction methods are used with machine learning techniques. In supervised learning, information about the distribution of data is given by data points not belonging to any of the classes. These data points are known as universum data. In this work, we use universum data to perform multiclass classification of facial emotions from human facial images. Moreover, the existing universum based models suffer from the drawback of high training cost, so we propose an iterative universum twin support vector machine (IUTWSVM) using Newton method. Our IUTWSVM gives good generalization performance with less computation cost. To solve the optimization problem of proposed IUTWSVM, no optimization toolbox is required. Further, improper selection of universum points always leads to degraded performance of the model. For generating better universum, a novel scheme is proposed in this work based on information entropy of data. To check the effectiveness of proposed IUTWSVM, several numerical experiments are performed on benchmark real world datasets. For multiclass classification of facial emotions, the performance of IUTWSVM is compared with existing algorithms using different feature extraction techniques. Our proposed algorithm shows better generalization performance with less training cost in both binary as well as multiclass classification problems.     

Visualization of graph products

Graphs are a versatile structure and abstraction for binary relationships between objects. To gain insight into such relationships, their corresponding graph can be visualized. In the past, many classes of graphs have been defined, e.g. trees, planar graphs, directed acyclic graphs, and visualization algorithms were proposed for these classes. Although many graphs may only be classified as "general" graphs, they can contain substructures that belong to a certain class. Archambault proposed the TopoLayout framework: rather than draw any arbitrary graph using one method, split the graph into components that are homogeneous with respect to one graph class and then draw each component with an algorithm best suited for this class. Graph products constitute a class that arises frequently in graph theory, but for which no visualization algorithm has been proposed until now. In this paper, we present an algorithm for drawing graph products and the aesthetic criterion graph product's drawings are subject to. We show that the popular High-Dimensional Embedder approach applied to cartesian products already respects this aestetic criterion, but has disadvantages. We also present how our method is integrated as a new component into the TopoLayout framework. Our implementation is used for further research of graph products in a biological context.     

Answering pattern match queries in large graph databases via graph embedding

The growing popularity of graph databases has generated interesting data management problems, such as subgraph search, shortest path query, reachability verification, and pattern matching. Among these, a pattern match query is more flexible compared with a subgraph search and more informative compared with a shortest path or a reachability query. In this paper, we address distance-based pattern match queries over a large data graph G. Due to the huge search space, we adopt a filter-and-refine framework to answer a pattern match query over a large graph. We first find a set of candidate matches by a graph embedding technique and then evaluate these to find the exact matches. Extensive experiments confirm the superiority of our method.     

Classy: fast clustering streams of call-graphs

An abstraction resilient to common malware obfuscation techniques is the call-graph. A call-graph is the representation of an executable file as a directed graph with labeled vertices, where the vertices correspond to functions and the edges to function calls. Unfortunately, most of the interesting graph comparison problems, including full-graph comparison and computing the largest common subgraph, belong to the \(NP\) -hard class. This makes the study and use of graphs in large scale systems difficult. Existing work has focused only on offline clustering and has not addressed the issue of clustering streams of graphs. In this paper we present Classy, a scalable distributed system that clusters streams of large call-graphs for purposes including automated malware classification and facilitating malware analysts. Since algorithms aimed at clustering sets are not suitable for clustering streams of objects, we propose the use of a clustering algorithm that relies on the notion of candidate clusters and reference samples therein. We demonstrate via thorough experimentation that this approach yields results very close to the offline optimal. Graph similarity is determined by computing a graph edit distance (GED) of pairs of graphs using an adapted version of simulated annealing. Furthermore, we present a novel lower bound for the GED. We also study the problem of approximating statistics of clusters of graphs when the distances of only a fraction of all possible pairs have been computed. Finally, we present results and statistics from a real production-side system that has clustered and contains more than 0.8 million graphs.     

A Large Margin Algorithm for Speech-to-Phoneme and Music-to-Score Alignment

We describe and analyze a discriminative algorithm for learning to align an audio signal with a given sequence of events that tag the signal. We demonstrate the applicability of our method for the tasks of speech-to-phoneme alignment (ldquoforced alignmentrdquo) and music-to-score alignment. In the first alignment task, the events that tag the speech signal are phonemes while in the music alignment task, the events are musical notes. Our goal is to learn an alignment function whose input is an audio signal along with its accompanying event sequence and its output is a timing sequence representing the actual start time of each event in the audio signal. Generalizing the notion of separation with a margin used in support vector machines for binary classification, we cast the learning task as the problem of finding a vector in an abstract inner-product space. To do so, we devise a mapping of the input signal and the event sequence along with any possible timing sequence into an abstract vector space. Each possible timing sequence therefore corresponds to an instance vector and the predicted timing sequence is the one whose projection onto the learned prediction vector is maximal. We set the prediction vector to be the solution of a minimization problem with a large set of constraints. Each constraint enforces a gap between the projection of the correct target timing sequence and the projection of an alternative, incorrect, timing sequence onto the vector. Though the number of constraints is very large, we describe a simple iterative algorithm for efficiently learning the vector and analyze the formal properties of the resulting learning algorithm. We report experimental results comparing the proposed algorithm to previous studies on speech-to-phoneme and music-to-score alignment, which use hidden Markov models. The results obtained in our experiments using the discriminative alignment algorithm are comparable to results of state-of-the-art systems.     

SQM:基于Spark的大规模单图上的子图匹配算法

针对大规模数据图下基于回溯法的子图查询算法的准确率低、开销大等问题，为提高查询准确率，降低大图下的查询开销，提出一种基于Spark的子图匹配（SQM）算法。首先根据结构信息过滤数据图，再将查询图分割成基本查询单元；然后对每一个基本查询单元分别匹配后进行Join操作；最后运用并行化提高了算法的运行效率，减小了搜索空间。实验结果表明，与Stwig、TurboISO算法相比，SQM算法在保证查询结果不变的情况下，速度提高了50%。     

gBoost: a mathematical programming approach to graph classification and regression

Graph mining methods enumerate frequently appearing subgraph patterns, which can be used as features for subsequent classification or regression. However, frequent patterns are not necessarily informative for the given learning problem. We propose a mathematical programming boosting method (gBoost) that progressively collects informative patterns. Compared to AdaBoost, gBoost can build the prediction rule with fewer iterations. To apply the boosting method to graph data, a branch-and-bound pattern search algorithm is developed based on the DFS code tree. The constructed search space is reused in later iterations to minimize the computation time. Our method can learn more efficiently than the simpler method based on frequent substructure mining, because the output labels are used as an extra information source for pruning the search space. Furthermore, by engineering the mathematical program, a wide range of machine learning problems can be solved without modifying the pattern search algorithm.     

基于连续预测的半监督学习图像语义标注

为了在图像底层特征与高层语义之间建立关系,提高图像自动标注的精确度,结合基于图学习的方法和基于分类的标注算法,提出了基于连续预测的半监督学习图像语义标注的方法,并对该方法的复杂度进行分析。该方法利用标签数据提供的信息和标签事例与无标签事例之间的关系,根据邻接点(事例)属于同一个类的事实,构建K邻近图。用一个基于图的分类器,通过核函数有效地计算邻接信息。在建立图的基础上,把经过划分后的样本节点集通过基于连续预测的多标签半监督学习方法进行标签传递。实验表明,提出的算法在图像标注中的标注词的平均查准率、平均查全率方面有显著的提高。