Clustering is a fundamental task in data analysis. Recently, deep clustering, which derives inspiration primarily from deep learning approaches, achieves state-of-the-art performance and has attracted considerable attention. Current deep clustering methods usually boost the clustering results by means of the powerful representation ability of deep learning, e.g., autoencoder, suggesting that learning an effective representation for clustering is a crucial requirement. The strength of deep clustering methods is to extract the useful representations from the data itself, rather than the structure of data, which receives scarce attention in representation learning. Motivated by the great success of Graph Convolutional Network (GCN) in encoding the graph structure, we propose a Structural Deep Clustering Network (SDCN) to integrate the structural information into deep clustering. Specifically, we design a delivery operator to transfer the representations learned by autoencoder to the corresponding GCN layer, and a dual self-supervised mechanism to unify these two different deep neural architectures and guide the update of the whole model. In this way, the multiple structures of data, from low-order to high-order, are naturally combined with the multiple representations learned by autoencoder. Furthermore, we theoretically analyze the delivery operator, i.e., with the delivery operator, GCN improves the autoencoder-specific representation as a high-order graph regularization constraint and autoencoder helps alleviate the over-smoothing problem in GCN. Through comprehensive experiments, we demonstrate that our propose model can consistently perform better over the state-of-the-art techniques.
相關內容
Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.
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.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
This paper focuses on the discrimination capacity of aggregation functions: these are the permutation invariant functions used by graph neural networks to combine the features of nodes. Realizing that the most powerful aggregation functions suffer from a dimensionality curse, we consider a restricted setting. In particular, we show that the standard sum and a novel histogram-based function have the capacity to discriminate between any fixed number of inputs chosen by an adversary. Based on our insights, we design a graph neural network aiming, not to maximize discrimination capacity, but to learn discriminative graph representations that generalize well. Our empirical evaluation provides evidence that our choices can yield benefits to the problem of structural graph classification.
MR-GNN: Multi-Resolution and Dual Graph Neural Network for Predicting Structured Entity Interactions
Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs and then extract features from each individual graph using graph convolution operations. However, these methods have some limitations: i) their networks only extract features from a fix-sized subgraph structure (i.e., a fix-sized receptive field) of each node, and ignore features in substructures of different sizes, and ii) features are extracted by considering each entity independently, which may not effectively reflect the interaction between two entities. To resolve these problems, we present MR-GNN, an end-to-end graph neural network with the following features: i) it uses a multi-resolution based architecture to extract node features from different neighborhoods of each node, and, ii) it uses dual graph-state long short-term memory networks (L-STMs) to summarize local features of each graph and extracts the interaction features between pairwise graphs. Experiments conducted on real-world datasets show that MR-GNN improves the prediction of state-of-the-art methods.
Network embedding is the process of learning low-dimensional representations for nodes in a network, while preserving node features. Existing studies only leverage network structure information and focus on preserving structural features. However, nodes in real-world networks often have a rich set of attributes providing extra semantic information. It has been demonstrated that both structural and attribute features are important for network analysis tasks. To preserve both features, we investigate the problem of integrating structure and attribute information to perform network embedding and propose a Multimodal Deep Network Embedding (MDNE) method. MDNE captures the non-linear network structures and the complex interactions among structures and attributes, using a deep model consisting of multiple layers of non-linear functions. Since structures and attributes are two different types of information, a multimodal learning method is adopted to pre-process them and help the model to better capture the correlations between node structure and attribute information. We employ both structural proximity and attribute proximity in the loss function to preserve the respective features and the representations are obtained by minimizing the loss function. Results of extensive experiments on four real-world datasets show that the proposed method performs significantly better than baselines on a variety of tasks, which demonstrate the effectiveness and generality of our method.
An attributed network enriches a pure network by encoding a part of widely accessible node auxiliary information into node attributes. Learning vector representation of each node a.k.a. Network Embedding (NE) for such an attributed network by considering both structure and attribute information has recently attracted considerable attention, since each node embedding is simply a unified low-dimension vector representation that makes downstream tasks e.g. link prediction more efficient and much easier to realize. Most of previous works have not considered the significant case of a network with incomplete structure information, which however, would often appear in our real-world scenarios e.g. the abnormal users in a social network who intentionally hide their friendships. And different networks obviously have different levels of incomplete structure information, which imposes more challenges to balance two sources of information. To tackle that, we propose a robust NE method called Attributed Biased Random Walks (ABRW) to employ attribute information for compensating incomplete structure information by using transition matrices. The experiments of link prediction and node classification tasks on real-world datasets confirm the robustness and effectiveness of our method to the different levels of the incomplete structure information.
Classifying large scale networks into several categories and distinguishing them according to their fine structures is of great importance with several applications in real life. However, most studies of complex networks focus on properties of a single network but seldom on classification, clustering, and comparison between different networks, in which the network is treated as a whole. Due to the non-Euclidean properties of the data, conventional methods can hardly be applied on networks directly. In this paper, we propose a novel framework of complex network classifier (CNC) by integrating network embedding and convolutional neural network to tackle the problem of network classification. By training the classifiers on synthetic complex network data and real international trade network data, we show CNC can not only classify networks in a high accuracy and robustness, it can also extract the features of the networks automatically.
Spectral clustering is a leading and popular technique in unsupervised data analysis. Two of its major limitations are scalability and generalization of the spectral embedding (i.e., out-of-sample-extension). In this paper we introduce a deep learning approach to spectral clustering that overcomes the above shortcomings. Our network, which we call SpectralNet, learns a map that embeds input data points into the eigenspace of their associated graph Laplacian matrix and subsequently clusters them. We train SpectralNet using a procedure that involves constrained stochastic optimization. Stochastic optimization allows it to scale to large datasets, while the constraints, which are implemented using a special-purpose output layer, allow us to keep the network output orthogonal. Moreover, the map learned by SpectralNet naturally generalizes the spectral embedding to unseen data points. To further improve the quality of the clustering, we replace the standard pairwise Gaussian affinities with affinities leaned from unlabeled data using a Siamese network. Additional improvement can be achieved by applying the network to code representations produced, e.g., by standard autoencoders. Our end-to-end learning procedure is fully unsupervised. In addition, we apply VC dimension theory to derive a lower bound on the size of SpectralNet. State-of-the-art clustering results are reported on the Reuters dataset. Our implementation is publicly available at //github.com/kstant0725/SpectralNet .
Recent works have shown that exploiting multi-scale representations deeply learned via convolutional neural networks (CNN) is of tremendous importance for accurate contour detection. This paper presents a novel approach for predicting contours which advances the state of the art in two fundamental aspects, i.e. multi-scale feature generation and fusion. Different from previous works directly consider- ing multi-scale feature maps obtained from the inner layers of a primary CNN architecture, we introduce a hierarchical deep model which produces more rich and complementary representations. Furthermore, to refine and robustly fuse the representations learned at different scales, the novel Attention-Gated Conditional Random Fields (AG-CRFs) are proposed. The experiments ran on two publicly available datasets (BSDS500 and NYUDv2) demonstrate the effectiveness of the latent AG-CRF model and of the overall hierarchical framework.
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