Collaborating Authors

Sparse Learning over Infinite Subgraph Features Machine Learning

We present a supervised-learning algorithm from graph data (a set of graphs) for arbitrary twice-differentiable loss functions and sparse linear models over all possible subgraph features. To date, it has been shown that under all possible subgraph features, several types of sparse learning, such as Adaboost, LPBoost, LARS/LASSO, and sparse PLS regression, can be performed. Particularly emphasis is placed on simultaneous learning of relevant features from an infinite set of candidates. We first generalize techniques used in all these preceding studies to derive an unifying bounding technique for arbitrary separable functions. We then carefully use this bounding to make block coordinate gradient descent feasible over infinite subgraph features, resulting in a fast converging algorithm that can solve a wider class of sparse learning problems over graph data. We also empirically study the differences from the existing approaches in convergence property, selected subgraph features, and search-space sizes. We further discuss several unnoticed issues in sparse learning over all possible subgraph features.

Significant Subgraph Mining with Multiple Testing Correction Machine Learning

The problem of finding itemsets that are statistically significantly enriched in a class of transactions is complicated by the need to correct for multiple hypothesis testing. Pruning untestable hypotheses was recently proposed as a strategy for this task of significant itemset mining. It was shown to lead to greater statistical power, the discovery of more truly significant itemsets, than the standard Bonferroni correction on real-world datasets. An open question, however, is whether this strategy of excluding untestable hypotheses also leads to greater statistical power in subgraph mining, in which the number of hypotheses is much larger than in itemset mining. Here we answer this question by an empirical investigation on eight popular graph benchmark datasets. We propose a new efficient search strategy, which always returns the same solution as the state-of-the-art approach and is approximately two orders of magnitude faster. Moreover, we exploit the dependence between subgraphs by considering the effective number of tests and thereby further increase the statistical power.

Multi-Graph-View Learning for Complicated Object Classification

AAAI Conferences

In this paper, we propose to represent and classify complicated objects. In order to represent the objects, we propose a multi-graph-view model which uses graphs constructed from multiple graph-views to represent an object. In addition, a bag based multi-graph model is further used to relax labeling by only requiring one label for a bag of graphs, which represent one object. In order to learn classification models, we propose a multi-graph-view bag learning algorithm (MGVBL), which aims to explore subgraph features from multiple graph-views for learning. By enabling a joint regularization across multiple graph-views, and enforcing labeling constraints at the bag and graph levels, MGVBL is able to discover most effective subgraph features across all graph-views for learning. Experiments on real-world learning tasks demonstrate the performance of MGVBL for complicated object classification.

SUGAR: Subgraph Neural Network with Reinforcement Pooling and Self-Supervised Mutual Information Mechanism Artificial Intelligence

Graph representation learning has attracted increasing research attention. However, most existing studies fuse all structural features and node attributes to provide an overarching view of graphs, neglecting finer substructures' semantics, and suffering from interpretation enigmas. This paper presents a novel hierarchical subgraph-level selection and embedding based graph neural network for graph classification, namely SUGAR, to learn more discriminative subgraph representations and respond in an explanatory way. SUGAR reconstructs a sketched graph by extracting striking subgraphs as the representative part of the original graph to reveal subgraph-level patterns. To adaptively select striking subgraphs without prior knowledge, we develop a reinforcement pooling mechanism, which improves the generalization ability of the model. To differentiate subgraph representations among graphs, we present a self-supervised mutual information mechanism to encourage subgraph embedding to be mindful of the global graph structural properties by maximizing their mutual information. Extensive experiments on six typical bioinformatics datasets demonstrate a significant and consistent improvement in model quality with competitive performance and interpretability.

Mining Brain Networks using Multiple Side Views for Neurological Disorder Identification Machine Learning

Mining discriminative subgraph patterns from graph data has attracted great interest in recent years. It has a wide variety of applications in disease diagnosis, neuroimaging, etc. Most research on subgraph mining focuses on the graph representation alone. However, in many real-world applications, the side information is available along with the graph data. For example, for neurological disorder identification, in addition to the brain networks derived from neuroimaging data, hundreds of clinical, immunologic, serologic and cognitive measures may also be documented for each subject. These measures compose multiple side views encoding a tremendous amount of supplemental information for diagnostic purposes, yet are often ignored. In this paper, we study the problem of discriminative subgraph selection using multiple side views and propose a novel solution to find an optimal set of subgraph features for graph classification by exploring a plurality of side views. We derive a feature evaluation criterion, named gSide, to estimate the usefulness of subgraph patterns based upon side views. Then we develop a branch-and-bound algorithm, called gMSV, to efficiently search for optimal subgraph features by integrating the subgraph mining process and the procedure of discriminative feature selection. Empirical studies on graph classification tasks for neurological disorders using brain networks demonstrate that subgraph patterns selected by the multi-side-view guided subgraph selection approach can effectively boost graph classification performances and are relevant to disease diagnosis.