Recent findings in neuroscience suggest that the human brain represents information in a geometric structure (for instance, through conceptual spaces). In order to communicate, we flatten the complex representation of entities and their attributes into a single word or a sentence. In this paper we use graph convolutional networks to support the evolution of language and cooperation in multi-agent systems. Motivated by an image-based referential game, we propose a graph referential game with varying degrees of complexity, and we provide strong baseline models that exhibit desirable properties in terms of language emergence and cooperation. We show that the emerged communication protocol is robust, that the agents uncover the true factors of variation in the game, and that they learn to generalize beyond the samples encountered during training.
Existing graph neural networks may suffer from the "suspended animation problem" when the model architecture goes deep. Meanwhile, for some graph learning scenarios, e.g., nodes with text/image attributes or graphs with long-distance node correlations, deep graph neural networks will be necessary for effective graph representation learning. In this paper, we propose a new graph neural network, namely DIFNET (Graph Diffusive Neural Network), for graph representation learning and node classification. DIFNET utilizes both neural gates and graph residual learning for node hidden state modeling, and includes an attention mechanism for node neighborhood information diffusion. Extensive experiments will be done in this paper to compare DIFNET against several state-of-the-art graph neural network models. The experimental results can illustrate both the learning performance advantages and effectiveness of DIFNET, especially in addressing the "suspended animation problem".
Graph representation learning has achieved a remarkable success in many graph-based applications, such as node classification, link prediction, and community detection. These models are usually designed to preserve the vertex information at different granularity and reduce the problems in discrete space to some machine learning tasks in continuous space. However, regardless of the fruitful progress, for some kind of graph applications, such as graph compression and edge partition, it is very hard to reduce them to some graph representation learning tasks. Moreover, these problems are closely related to reformulating a global layout for a specific graph, which is an important NP-hard combinatorial optimization problem: graph ordering. In this paper, we propose to attack the graph ordering problem behind such applications by a novel learning approach. Distinguished from greedy algorithms based on predefined heuristics, we propose a neural network model: Deep Order Network (DON) to capture the hidden locality structure from partial vertex order sets. Supervised by sampled partial order, DON has the ability to infer unseen combinations. Furthermore, to alleviate the combinatorial explosion in the training space of DON and make the efficient partial vertex order sampling , we employ a reinforcement learning model: the Policy Network, to adjust the partial order sampling probabilities during the training phase of DON automatically. To this end, the Policy Network can improve the training efficiency and guide DON to evolve towards a more effective model automatically. Comprehensive experiments on both synthetic and real data validate that DON-RL outperforms the current state-of-the-art heuristic algorithm consistently. Two case studies on graph compression and edge partitioning demonstrate the potential power of DON-RL in real applications.
The adaptive processing of graph data is a long-standing research topic which has been lately consolidated as a theme of major interest in the deep learning community. The snap increase in the amount and breadth of related research has come at the price of little systematization of knowledge and attention to earlier literature. This work is designed as a tutorial introduction to the field of deep learning for graphs. It favours a consistent and progressive introduction of the main concepts and architectural aspects over an exposition of the most recent literature, for which the reader is referred to available surveys. The paper takes a top-down view to the problem, introducing a generalized formulation of graph representation learning based on a local and iterative approach to structured information processing. It introduces the basic building blocks that can be combined to design novel and effective neural models for graphs. The methodological exposition is complemented by a discussion of interesting research challenges and applications in the field.
In this paper, we focus on graph representation learning of heterogeneous information network (HIN), in which various types of vertices are connected by various types of relations. Most of the existing methods conducted on HIN revise homogeneous graph embedding models via meta-paths to learn low-dimensional vector space of HIN. In this paper, we propose a novel Heterogeneous Graph Structural Attention Neural Network (HetSANN) to directly encode structural information of HIN without meta-path and achieve more informative representations. With this method, domain experts will not be needed to design meta-path schemes and the heterogeneous information can be processed automatically by our proposed model. Specifically, we implicitly represent heterogeneous information using the following two methods: 1) we model the transformation between heterogeneous vertices through a projection in low-dimensional entity spaces; 2) afterwards, we apply the graph neural network to aggregate multi-relational information of projected neighborhood by means of attention mechanism. We also present three extensions of HetSANN, i.e., voices-sharing product attention for the pairwise relationships in HIN, cycle-consistency loss to retain the transformation between heterogeneous entity spaces, and multi-task learning with full use of information. The experiments conducted on three public datasets demonstrate that our proposed models achieve significant and consistent improvements compared to state-of-the-art solutions.
Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation learning field has attracted the attention of a wide research community, which resulted in a large stream of works. As such, several Graph Neural Network models have been developed to effectively tackle graph classification. However, experimental procedures often lack rigorousness and are hardly reproducible. Motivated by this, we provide an overview of common practices that should be avoided to fairly compare with the state of the art. To counter this troubling trend, we ran more than 47000 experiments in a controlled and uniform framework to re-evaluate five popular models across nine common benchmarks. Moreover, by comparing GNNs with structure-agnostic baselines we provide convincing evidence that, on some datasets, structural information has not been exploited yet. We believe that this work can contribute to the development of the graph learning field, by providing a much needed grounding for rigorous evaluations of graph classification models.
Graph embedding has become a key component of many data mining and analysis systems. Current graph embedding approaches either sample a large number of node pairs from a graph to learn node embeddings via stochastic optimization or factorize a high-order proximity/adjacency matrix of the graph via computationally expensive matrix factorization techniques. These approaches typically require significant resources for the learning process and rely on multiple parameters, which limits their applicability in practice. Moreover, most of the existing graph embedding techniques operate effectively in one specific metric space only (e.g., the one produced with cosine similarity), do not preserve higher-order structural features of the input graph and cannot automatically determine a meaningful number of embedding dimensions. Typically, the produced embeddings are not easily interpretable, which complicates further analyses and limits their applicability. To address these issues, we propose DAOR, a highly efficient and parameter-free graph embedding technique producing metric space-robust, compact and interpretable embeddings without any manual tuning. Compared to a dozen state-of-the-art graph embedding algorithms, DAOR yields competitive results on both node classification (which benefits form high-order proximity) and link prediction (which relies on low-order proximity mostly). Unlike existing techniques, however, DAOR does not require any parameter tuning and improves the embeddings generation speed by several orders of magnitude. Our approach has hence the ambition to greatly simplify and speed up data analysis tasks involving graph representation learning.
Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to cluster nodes into fixed groups, and generates a coarse-grained structure accompanied with the shrinking of the original graph. However, such clustering would discard some graph information and achieve the suboptimal results. It is because the node inherently has different characteristics or roles, and two non-isomorphic graphs may have the same coarse-grained structure that cannot be distinguished after pooling. To compensate the loss caused by coarse-grained clustering and further advance GNN, we propose a multi-channel graph convolutional networks (MuchGCN). It is motivated by the convolutional neural networks, at which a series of channels are encoded to preserve the comprehensive characteristics of the input image. Thus, we define the specific graph convolutions to learn a series of graph channels at each layer, and pool graphs iteratively to encode the hierarchical structures. Experiments have been carefully carried out to demonstrate the superiority of MuchGCN over the state-of-the-art graph classification algorithms.
Graph representation learning aims to encode all nodes of a graph into low-dimensional vectors that will serve as input of many compute vision tasks. However, most existing algorithms ignore the existence of inherent data distribution and even noises. This may significantly increase the phenomenon of over-fitting and deteriorate the testing accuracy. In this paper, we propose a Distribution-induced Bidirectional Generative Adversarial Network (named DBGAN) for graph representation learning. Instead of the widely used normal distribution assumption, the prior distribution of latent representation in our DBGAN is estimated in a structure-aware way, which implicitly bridges the graph and feature spaces by prototype learning. Thus discriminative and robust representations are generated for all nodes. Furthermore, to improve their generalization ability while preserving representation ability, the sample-level and distribution-level consistency is well balanced via a bidirectional adversarial learning framework. An extensive group of experiments are then carefully designed and presented, demonstrating that our DBGAN obtains remarkably more favorable trade-off between representation and robustness, and meanwhile is dimension-efficient, over currently available alternatives in various tasks.
This paper addresses the problem of 3D hand pose estimation from a monocular RGB image. While previous methods have shown great success, the structure of hands has not been fully exploited, which is critical in pose estimation. To this end, we propose a regularized graph representation learning under a conditional adversarial learning framework for 3D hand pose estimation, aiming to capture structural inter-dependencies of hand joints. In particular, we estimate an initial hand pose from a parametric hand model as a prior of hand structure, which regularizes the inference of the structural deformation in the prior pose for accurate graph representation learning via residual graph convolution. To optimize the hand structure further, we propose two bone-constrained loss functions, which characterize the morphable structure of hand poses explicitly. Also, we introduce an adversarial learning framework conditioned on the input image with a multi-source discriminator, which imposes the structural constraints onto the distribution of generated 3D hand poses for anthropomorphically valid hand poses. Extensive experiments demonstrate that our model sets the new state-of-the-art in 3D hand pose estimation from a monocular image on five standard benchmarks.
Graph neural network (GNN) is a deep model for graph representation learning. One advantage of graph neural network is its ability to incorporate node features into the learning process. However, this prevents graph neural network from being applied into featureless graphs. In this paper, we first analyze the effects of node features on the performance of graph neural network. We show that GNNs work well if there is a strong correlation between node features and node labels. Based on these results, we propose new feature initialization methods that allows to apply graph neural network to non-attributed graphs. Our experimental results show that the artificial features are highly competitive with real features.
Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node classification and node clustering. When a graph is heterogeneous, the problem becomes more challenging than the homogeneous graph node learning problem. Inspired by the emerging information theoretic-based learning algorithm, in this paper we propose an unsupervised graph neural network Heterogeneous Deep Graph Infomax (HDGI) for heterogeneous graph representation learning. We use the meta-path structure to analyze the connections involving semantics in heterogeneous graphs and utilize graph convolution module and semantic-level attention mechanism to capture local representations. By maximizing local-global mutual information, HDGI effectively learns high-level node representations that can be utilized in downstream graph-related tasks. Experiment results show that HDGI remarkably outperforms state-of-the-art unsupervised graph representation learning methods on both classification and clustering tasks. By feeding the learned representations into a parametric model, such as logistic regression, we even achieve comparable performance in node classification tasks when comparing with state-of-the-art supervised end-to-end GNN models.
It is not until recently that graph neural networks (GNNs) are adopted to perform graph representation learning, among which, those based on the aggregation of features within the neighborhood of a node achieved great success. However, despite such achievements, GNNs illustrate defects in identifying some common structural patterns which, unfortunately, play significant roles in various network phenomena. In this paper, we propose GraLSP, a GNN framework which explicitly incorporates local structural patterns into the neighborhood aggregation through random anonymous walks. Specifically, we capture local graph structures via random anonymous walks, powerful and flexible tools that represent structural patterns. The walks are then fed into the feature aggregation, where we design various mechanisms to address the impact of structural features, including adaptive receptive radius, attention and amplification. In addition, we design objectives that capture similarities between structures and are optimized jointly with node proximity objectives. With the adequate leverage of structural patterns, our model is able to outperform competitive counterparts in various prediction tasks in multiple datasets.
The dominant graph-to-sequence transduction models employ graph neural networks for graph representation learning, where the structural information is reflected by the receptive field of neurons. Unlike graph neural networks that restrict the information exchange between immediate neighborhood, we propose a new model, known as Graph Transformer, that uses explicit relation encoding and allows direct communication between two distant nodes. It provides a more efficient way for global graph structure modeling. Experiments on the applications of text generation from Abstract Meaning Representation (AMR) and syntax-based neural machine translation show the superiority of our proposed model. Specifically, our model achieves 27.4 BLEU on LDC2015E86 and 29.7 BLEU on LDC2017T10 for AMR-to-text generation, outperforming the state-of-the-art results by up to 2.2 points. On the syntax-based translation tasks, our model establishes new single-model state-of-the-art BLEU scores, 21.3 for English-to-German and 14.1 for English-to-Czech, improving over the existing best results, including ensembles, by over 1 BLEU.
Machine learning on graph structured data has attracted much research interest due to its ubiquity in real world data. However, how to efficiently represent graph data in a general way is still an open problem. Traditional methods use handcraft graph features in a tabular form but suffer from the defects of domain expertise requirement and information loss. Graph representation learning overcomes these defects by automatically learning the continuous representations from graph structures, but they require abundant training labels, which are often hard to fulfill for graph-level prediction problems. In this work, we demonstrate that, if available, the domain expertise used for designing handcraft graph features can improve the graph-level representation learning when training labels are scarce. Specifically, we proposed a multi-task knowledge distillation method. By incorporating network-theory-based graph metrics as auxiliary tasks, we show on both synthetic and real datasets that the proposed multi-task learning method can improve the prediction performance of the original learning task, especially when the training data size is small.
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.
Graph representation learning is of paramount importance for a variety of graph analytical tasks, ranging from node classification to community detection. Recently, graph convolutional networks (GCNs) have been successfully applied for graph representation learning. These GCNs generate node representation by aggregating features from the neighborhoods, which follows the "neighborhood aggregation" scheme. In spite of having achieved promising performance on various tasks, existing GCN-based models have difficulty in well capturing complicated non-linearity of graph data. In this paper, we first theoretically prove that coefficients of the neighborhood interacting terms are relatively small in current models, which explains why GCNs barely outperforms linear models. Then, in order to better capture the complicated non-linearity of graph data, we present a novel GraphAIR framework which models the neighborhood interaction in addition to neighborhood aggregation. Comprehensive experiments conducted on benchmark tasks including node classification and link prediction using public datasets demonstrate the effectiveness of the proposed method.
Graph convolutional networks (GCNs) are a widely used method for graph representation learning. To elucidate the capabilities and limitations of GCNs, we investigate their power, as a function of their number of layers, to distinguish between different random graph models (corresponding to different class-conditional distributions in a classification problem) on the basis of the embeddings of their sample graphs. In particular, the graph models that we consider arise from graphons, which are the most general possible parameterizations of infinite exchangeable graph models and which are the central objects of study in the theory of dense graph limits. We give a precise characterization of the set of pairs of graphons that are indistinguishable by a GCN with nonlinear activation functions coming from a certain broad class if its depth is at least logarithmic in the size of the sample graph. This characterization is in terms of a degree profile closeness property. Outside this class, a very simple GCN architecture suffices for distinguishability. We then exhibit a concrete, infinite class of graphons arising from stochastic block models that are well-separated in terms of cut distance and are indistinguishable by a GCN. These results theoretically match empirical observations of several prior works. To prove our results, we exploit a connection to random walks on graphs. Finally, we give empirical results on synthetic and real graph classification datasets, indicating that indistinguishable graph distributions arise in practice.
Music genre is arguably one of the most important and discriminative information for music and audio content. Visual representation based approaches have been explored on spectrograms for music genre classification. However, lack of quality data and augmentation techniques makes it difficult to employ deep learning techniques successfully. We discuss the application of graph neural networks on such task due to their strong inductive bias, and show that combination of CNN and GNN is able to achieve state-of-the-art results on GTZAN, and AudioSet (Imbalanced Music) datasets. We also discuss the role of Siamese Neural Networks as an analogous to GNN for learning edge similarity weights. Furthermore, we also perform visual analysis to understand the field-of-view of our model into the spectrogram based on genre labels.
We present two instances, L-GAE and L-VGAE, of the variational graph auto-encoding family (VGAE) based on separating feature propagation operations from graph convolution layers typically found in graph learning methods to a single linear matrix computation made prior to input in standard auto-encoder architectures. This decoupling enables the independent and fixed design of the auto-encoder without requiring additional GCN layers for every desired increase in the size of a node's local receptive field. Fixing the auto-encoder enables a fairer assessment on the size of a nodes receptive field in building representations. Furthermore a by-product of fixing the auto-encoder design often results in substantially smaller networks than their VGAE counterparts especially as we increase the number of feature propagations. A comparative downstream evaluation on link prediction tasks show comparable state of the art performance to similar VGAE arrangements despite considerable simplification. We also show the simple application of our methodology to more challenging representation learning scenarios such as spatio-temporal graph representation learning.