Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a unsupervised fashion, sometimes aided with transfer learning. However currently in the graph learning domain, embeddings learned through existing graph neural networks (GNNs) are task dependent and thus cannot be shared across different datasets. In this paper, we present a first powerful and theoretically guaranteed graph neural network that is designed to learn task-independent graph embeddings, thereafter referred to as deep universal graph embedding (DUGNN). Our DUGNN model incorporates a novel graph neural network (as a universal graph encoder) and leverages rich Graph Kernels (as a multi-task graph decoder) for both unsupervised learning and (task-specific) adaptive supervised learning. By learning task-independent graph embeddings across diverse datasets, DUGNN also reaps the benefits of transfer learning. Through extensive experiments and ablation studies, we show that the proposed DUGNN model consistently outperforms both the existing state-of-art GNN models and Graph Kernels by an increased accuracy of 3% - 8% on graph classification benchmark datasets.

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神经网络(Neural Networks)是世界上三个最古老的神经建模学会的档案期刊:国际神经网络学会(INNS)、欧洲神经网络学会(ENNS)和日本神经网络学会(JNNS)。神经网络提供了一个论坛,以发展和培育一个国际社会的学者和实践者感兴趣的所有方面的神经网络和相关方法的计算智能。神经网络欢迎高质量论文的提交,有助于全面的神经网络研究,从行为和大脑建模,学习算法,通过数学和计算分析,系统的工程和技术应用,大量使用神经网络的概念和技术。这一独特而广泛的范围促进了生物和技术研究之间的思想交流,并有助于促进对生物启发的计算智能感兴趣的跨学科社区的发展。因此,神经网络编委会代表的专家领域包括心理学,神经生物学,计算机科学,工程,数学,物理。该杂志发表文章、信件和评论以及给编辑的信件、社论、时事、软件调查和专利信息。文章发表在五个部分之一:认知科学,神经科学,学习系统,数学和计算分析、工程和应用。 官网地址:http://dblp.uni-trier.de/db/journals/nn/

In Multi-Label Text Classification (MLTC), one sample can belong to more than one class. It is observed that most MLTC tasks, there are dependencies or correlations among labels. Existing methods tend to ignore the relationship among labels. In this paper, a graph attention network-based model is proposed to capture the attentive dependency structure among the labels. The graph attention network uses a feature matrix and a correlation matrix to capture and explore the crucial dependencies between the labels and generate classifiers for the task. The generated classifiers are applied to sentence feature vectors obtained from the text feature extraction network (BiLSTM) to enable end-to-end training. Attention allows the system to assign different weights to neighbor nodes per label, thus allowing it to learn the dependencies among labels implicitly. The results of the proposed model are validated on five real-world MLTC datasets. The proposed model achieves similar or better performance compared to the previous state-of-the-art models.

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A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous graph into low-dimensional node representations. Existing models usually define multiple metapaths in a heterogeneous graph to capture the composite relations and guide neighbor selection. However, these models either omit node content features, discard intermediate nodes along the metapath, or only consider one metapath. To address these three limitations, we propose a new model named Metapath Aggregated Graph Neural Network (MAGNN) to boost the final performance. Specifically, MAGNN employs three major components, i.e., the node content transformation to encapsulate input node attributes, the intra-metapath aggregation to incorporate intermediate semantic nodes, and the inter-metapath aggregation to combine messages from multiple metapaths. Extensive experiments on three real-world heterogeneous graph datasets for node classification, node clustering, and link prediction show that MAGNN achieves more accurate prediction results than state-of-the-art baselines.

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Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

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Recently, researches have explored the graph neural network (GNN) techniques on text classification, since GNN does well in handling complex structures and preserving global information. However, previous methods based on GNN are mainly faced with the practical problems of fixed corpus level graph structure which do not support online testing and high memory consumption. To tackle the problems, we propose a new GNN based model that builds graphs for each input text with global parameters sharing instead of a single graph for the whole corpus. This method removes the burden of dependence between an individual text and entire corpus which support online testing, but still preserve global information. Besides, we build graphs by much smaller windows in the text, which not only extract more local features but also significantly reduce the edge numbers as well as memory consumption. Experiments show that our model outperforms existing models on several text classification datasets even with consuming less memory.

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Inferencing with network data necessitates the mapping of its nodes into a vector space, where the relationships are preserved. However, with multi-layered networks, where multiple types of relationships exist for the same set of nodes, it is crucial to exploit the information shared between layers, in addition to the distinct aspects of each layer. In this paper, we propose a novel approach that first obtains node embeddings in all layers jointly via DeepWalk on a \textit{supra} graph, which allows interactions between layers, and then fine-tunes the embeddings to encourage cohesive structure in the latent space. With empirical studies in node classification, link prediction and multi-layered community detection, we show that the proposed approach outperforms existing single- and multi-layered network embedding algorithms on several benchmarks. In addition to effectively scaling to a large number of layers (tested up to $37$), our approach consistently produces highly modular community structure, even when compared to methods that directly optimize for the modularity function.

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Graph embedding aims to transfer a graph into vectors to facilitate subsequent graph analytics tasks like link prediction and graph clustering. Most approaches on graph embedding focus on preserving the graph structure or minimizing the reconstruction errors for graph data. They have mostly overlooked the embedding distribution of the latent codes, which unfortunately may lead to inferior representation in many cases. In this paper, we present a novel adversarially regularized framework for graph embedding. By employing the graph convolutional network as an encoder, our framework embeds the topological information and node content into a vector representation, from which a graph decoder is further built to reconstruct the input graph. The adversarial training principle is applied to enforce our latent codes to match a prior Gaussian or Uniform distribution. Based on this framework, we derive two variants of adversarial models, the adversarially regularized graph autoencoder (ARGA) and its variational version, adversarially regularized variational graph autoencoder (ARVGA), to learn the graph embedding effectively. We also exploit other potential variations of ARGA and ARVGA to get a deeper understanding on our designs. Experimental results compared among twelve algorithms for link prediction and twenty algorithms for graph clustering validate our solutions.

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Knowledge graphs are large graph-structured databases of facts, which typically suffer from incompleteness. Link prediction is the task of inferring missing relations (links) between entities (nodes) in a knowledge graph. We approach this task using a hypernetwork architecture to generate convolutional layer filters specific to each relation and apply those filters to the subject entity embeddings. This architecture enables a trade-off between non-linear expressiveness and the number of parameters to learn. Our model simplifies the entity and relation embedding interactions introduced by the predecessor convolutional model, while outperforming all previous approaches to link prediction across all standard link prediction datasets.

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Text Classification is an important and classical problem in natural language processing. There have been a number of studies that applied convolutional neural networks (convolution on regular grid, e.g., sequence) to classification. However, only a limited number of studies have explored the more flexible graph convolutional neural networks (e.g., convolution on non-grid, e.g., arbitrary graph) for the task. In this work, we propose to use graph convolutional networks for text classification. We build a single text graph for a corpus based on word co-occurrence and document word relations, then learn a Text Graph Convolutional Network (Text GCN) for the corpus. Our Text GCN is initialized with one-hot representation for word and document, it then jointly learns the embeddings for both words and documents, as supervised by the known class labels for documents. Our experimental results on multiple benchmark datasets demonstrate that a vanilla Text GCN without any external word embeddings or knowledge outperforms state-of-the-art methods for text classification. On the other hand, Text GCN also learns predictive word and document embeddings. In addition, experimental results show that the improvement of Text GCN over state-of-the-art comparison methods become more prominent as we lower the percentage of training data, suggesting the robustness of Text GCN to less training data in text classification.

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Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

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Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph structure. However, for most real data, the graph structures varies in both size and connectivity. The paper proposes a generalized and flexible graph CNN taking data of arbitrary graph structure as input. In that way a task-driven adaptive graph is learned for each graph data while training. To efficiently learn the graph, a distance metric learning is proposed. Extensive experiments on nine graph-structured datasets have demonstrated the superior performance improvement on both convergence speed and predictive accuracy.

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