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Register a new userGeometric graphs from data to aid classification tasks with graph convolutional networks
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Added by
Yifan Qian
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Traditional classification tasks learn to assign samples to given classes based solely on sample features. This paradigm is evolving to include other sources of information, such as known relations between samples. Here we show that, even if additional relational information is not available in the data set, one can improve classification by constructing geometric graphs from the features themselves, and using them within a Graph Convolutional Network. The improvement in classification accuracy is maximized by graphs that capture sample similarity with relatively low edge density. We show that such feature-derived graphs increase the alignment of the data to the ground truth while improving class separation. We also demonstrate that the graphs can be made more efficient using spectral sparsification, which reduces the number of edges while still improving classification performance. We illustrate our findings using synthetic and real-world data sets from various scientific domains.
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Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at url{https://github.com/IBM/EvolveGCN}.
Data augmentation aims to generate new and synthetic features from the original data, which can identify a better representation of data and improve the performance and generalizability of downstream tasks. However, data augmentation for graph-based models remains a challenging problem, as graph data is more complex than traditional data, which consists of two features with different properties: graph topology and node attributes. In this paper, we study the problem of graph data augmentation for Graph Convolutional Network (GCN) in the context of improving the node embeddings for semi-supervised node classification. Specifically, we conduct cosine similarity based cross operation on the original features to create new graph features, including new node attributes and new graph topologies, and we combine them as new pairwise inputs for specific GCNs. Then, we propose an attentional integrating model to weighted sum the hidden node embeddings encoded by these GCNs into the final node embeddings. We also conduct a disparity constraint on these hidden node embeddings when training to ensure that non-redundant information is captured from different features. Experimental results on five real-world datasets show that our method improves the classification accuracy with a clear margin (+2.5% - +84.2%) than the original GCN model.
Modeling generative process of growing graphs has wide applications in social networks and recommendation systems, where cold start problem leads to new nodes isolated from existing graph. Despite the emerging literature in learning graph representation and graph generation, most of them can not handle isolated new nodes without nontrivial modifications. The challenge arises due to the fact that learning to generate representations for nodes in observed graph relies heavily on topological features, whereas for new nodes only node attributes are available. Here we propose a unified generative graph convolutional network that learns node representations for all nodes adaptively in a generative model framework, by sampling graph generation sequences constructed from observed graph data. We optimize over a variational lower bound that consists of a graph reconstruction term and an adaptive Kullback-Leibler divergence regularization term. We demonstrate the superior performance of our approach on several benchmark citation network datasets.
Laboratory testing and medication prescription are two of the most important routines in daily clinical practice. Developing an artificial intelligence system that can automatically make lab test imputations and medication recommendations can save cost on potentially redundant lab tests and inform physicians in more effective prescription. We present an intelligent model that can automatically recommend the patients medications based on their incomplete lab tests, and can even accurately estimate the lab values that have not been taken. We model the complex relations between multiple types of medical entities with their inherent features in a heterogeneous graph. Then we learn a distributed representation for each entity in the graph based on graph convolutional networks to make the representations integrate information from multiple types of entities. Since the entity representations incorporate multiple types of medical information, they can be used for multiple medical tasks. In our experiments, we construct a graph to associate patients, encounters, lab tests and medications, and conduct the two tasks: medication recommendation and lab test imputation. The experimental results demonstrate that our model can outperform the state-of-the-art models in both tasks.
Graph neural networks (GNNs) have been proven to be effective in various network-related tasks. Most existing GNNs usually exploit the low-frequency signals of node features, which gives rise to one fundamental question: is the low-frequency information all we need in the real world applications? In this paper, we first present an experimental investigation assessing the roles of low-frequency and high-frequency signals, where the results clearly show that exploring low-frequency signal only is distant from learning an effective node representation in different scenarios. How can we adaptively learn more information beyond low-frequency information in GNNs? A well-informed answer can help GNNs enhance the adaptability. We tackle this challenge and propose a novel Frequency Adaptation Graph Convolutional Networks (FAGCN) with a self-gating mechanism, which can adaptively integrate different signals in the process of message passing. For a deeper understanding, we theoretically analyze the roles of low-frequency signals and high-frequency signals on learning node representations, which further explains why FAGCN can perform well on different types of networks. Extensive experiments on six real-world networks validate that FAGCN not only alleviates the over-smoothing problem, but also has advantages over the state-of-the-arts.
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