HyperGraph Convolutional Neural Networks (HGCNNs) have demonstrated their potential in modeling high-order relations preserved in graph structured data. However, most existing convolution filters are localized and determined by the pre-defined initial hypergraph topology, neglecting to explore implicit and long-ange relations in real-world data. In this paper, we propose the first learning-based method tailored for constructing adaptive hypergraph structure, termed HypERgrAph Laplacian aDaptor (HERALD), which serves as a generic plug-in-play module for improving the representational power of HGCNNs. Specifically, HERALD adaptively optimizes the adjacency relationship between hypernodes and hyperedges in an end-to-end manner and thus the task-aware hypergraph is learned. Furthermore, HERALD employs the self-attention mechanism to capture the non-local paired-nodes relation. Extensive experiments on various popular hypergraph datasets for node classification and graph classification tasks demonstrate that our approach obtains consistent and considerable performance enhancement, proving its effectiveness and generalization ability.
Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that different pretext tasks affect downstream tasks differently cross datasets, which suggests that searching pretext tasks is crucial for graph self-supervised learning. Different from existing works focusing on designing single pretext tasks, this work aims to investigate how to automatically leverage multiple pretext tasks effectively. Nevertheless, evaluating representations derived from multiple pretext tasks without direct access to ground truth labels makes this problem challenging. To address this obstacle, we make use of a key principle of many real-world graphs, i.e., homophily, or the principle that "like attracts like," as the guidance to effectively search various self-supervised pretext tasks. We provide theoretical understanding and empirical evidence to justify the flexibility of homophily in this search task. Then we propose the AutoSSL framework which can automatically search over combinations of various self-supervised tasks. By evaluating the framework on 7 real-world datasets, our experimental results show that AutoSSL can significantly boost the performance on downstream tasks including node clustering and node classification compared with training under individual tasks. Code is released at https://github.com/ChandlerBang/AutoSSL.
Graph Neural Networks (GNNs) have already been widely used in various graph mining tasks. However, recent works reveal that the learned weights (channels) in well-trained GNNs are highly redundant, which inevitably limits the performance of GNNs. Instead of removing these redundant channels for efficiency consideration, we aim to reactivate them to enlarge the representation capacity of GNNs for effective graph learning. In this paper, we propose to substitute these redundant channels with other informative channels to achieve this goal. We introduce a novel GNN learning framework named AKE-GNN, which performs the Adaptive Knowledge Exchange strategy among multiple graph views generated by graph augmentations. AKE-GNN first trains multiple GNNs each corresponding to one graph view to obtain informative channels. Then, AKE-GNN iteratively exchanges redundant channels in the weight parameter matrix of one GNN with informative channels of another GNN in a layer-wise manner. Additionally, existing GNNs can be seamlessly incorporated into our framework. AKE-GNN achieves superior performance compared with various baselines across a suite of experiments on node classification, link prediction, and graph classification. In particular, we conduct a series of experiments on 15 public benchmark datasets, 8 popular GNN models, and 3 graph tasks and show that AKE-GNN consistently outperforms existing popular GNN models and even their ensembles. Extensive ablation studies and analyses on knowledge exchange methods validate the effectiveness of AKE-GNN.
Graph Neural Networks (GNNs) have achieved promising results for semi-supervised learning tasks on graphs such as node classification. Despite the great success of GNNs, many real-world graphs are often sparsely and noisily labeled, which could significantly degrade the performance of GNNs, as the noisy information could propagate to unlabeled nodes via graph structure. Thus, it is important to develop a label noise-resistant GNN for semi-supervised node classification. Though extensive studies have been conducted to learn neural networks with noisy labels, they mostly focus on independent and identically distributed data and assume a large number of noisy labels are available, which are not directly applicable for GNNs. Thus, we investigate a novel problem of learning a robust GNN with noisy and limited labels. To alleviate the negative effects of label noise, we propose to link the unlabeled nodes with labeled nodes of high feature similarity to bring more clean label information. Furthermore, accurate pseudo labels could be obtained by this strategy to provide more supervision and further reduce the effects of label noise. Our theoretical and empirical analysis verify the effectiveness of these two strategies under mild conditions. Extensive experiments on real-world datasets demonstrate the effectiveness of the proposed method in learning a robust GNN with noisy and limited labels.
Neural networks have proved to be very robust at processing unstructured data like images, text, videos, and audio. However, it has been observed that their performance is not up to the mark in tabular data; hence tree-based models are preferred in such scenarios. A popular model for tabular data is boosted trees, a highly efficacious and extensively used machine learning method, and it also provides good interpretability compared to neural networks. In this paper, we describe a novel architecture XBNet, which tries to combine tree-based models with that of neural networks to create a robust architecture trained by using a novel optimization technique, Boosted Gradient Descent for Tabular Data which increases its interpretability and performance.
Learning representations of nodes in a low dimensional space is a crucial task with numerous interesting applications in network analysis, including link prediction, node classification, and visualization. Two popular approaches for this problem are matrix factorization and random walk-based models. In this paper, we aim to bring together the best of both worlds, towards learning node representations. In particular, we propose a weighted matrix factorization model that encodes random walk-based information about nodes of the network. The benefit of this novel formulation is that it enables us to utilize kernel functions without realizing the exact proximity matrix so that it enhances the expressiveness of existing matrix decomposition methods with kernels and alleviates their computational complexities. We extend the approach with a multiple kernel learning formulation that provides the flexibility of learning the kernel as the linear combination of a dictionary of kernels in data-driven fashion. We perform an empirical evaluation on real-world networks, showing that the proposed model outperforms baseline node embedding algorithms in downstream machine learning tasks.
Learning faithful graph representations as sets of vertex embeddings has become a fundamental intermediary step in a wide range of machine learning applications. We propose the systematic use of symmetric spaces in representation learning, a class encompassing many of the previously used embedding targets. This enables us to introduce a new method, the use of Finsler metrics integrated in a Riemannian optimization scheme, that better adapts to dissimilar structures in the graph. We develop a tool to analyze the embeddings and infer structural properties of the data sets. For implementation, we choose Siegel spaces, a versatile family of symmetric spaces. Our approach outperforms competitive baselines for graph reconstruction tasks on various synthetic and real-world datasets. We further demonstrate its applicability on two downstream tasks, recommender systems and node classification.
Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during feature aggregation. Recent works have mainly focused on powerful message passing modules, however, in this paper, we show that none of the message passing modules is necessary. Instead, we propose a pure multilayer-perceptron-based framework, Graph-MLP with the supervision signal leveraging graph structure, which is sufficient for learning discriminative node representation. In model-level, Graph-MLP only includes multi-layer perceptrons, activation function, and layer normalization. In the loss level, we design a neighboring contrastive (NContrast) loss to bridge the gap between GNNs and MLPs by utilizing the adjacency information implicitly. This design allows our model to be lighter and more robust when facing large-scale graph data and corrupted adjacency information. Extensive experiments prove that even without adjacency information in testing phase, our framework can still reach comparable and even superior performance against the state-of-the-art models in the graph node classification task.
Treatment effect estimation from observational data is a critical research topic across many domains. The foremost challenge in treatment effect estimation is how to capture hidden confounders. Recently, the growing availability of networked observational data offers a new opportunity to deal with the issue of hidden confounders. Unlike networked data in traditional graph learning tasks, such as node classification and link detection, the networked data under the causal inference problem has its particularity, i.e., imbalanced network structure. In this paper, we propose a Graph Infomax Adversarial Learning (GIAL) model for treatment effect estimation, which makes full use of the network structure to capture more information by recognizing the imbalance in network structure. We evaluate the performance of our GIAL model on two benchmark datasets, and the results demonstrate superiority over the state-of-the-art methods.
The high cost of data labeling often results in node label shortage in real applications. To improve node classification accuracy, graph-based semi-supervised learning leverages the ample unlabeled nodes to train together with the scarce available labeled nodes. However, most existing methods require the information of all nodes, including those to be predicted, during model training, which is not practical for dynamic graphs with newly added nodes. To address this issue, an adversarially regularized graph attention model is proposed to classify newly added nodes in a partially labeled graph. An attention-based aggregator is designed to generate the representation of a node by aggregating information from its neighboring nodes, thus naturally generalizing to previously unseen nodes. In addition, adversarial training is employed to improve the model's robustness and generalization ability by enforcing node representations to match a prior distribution. Experiments on real-world datasets demonstrate the effectiveness of the proposed method in comparison with the state-of-the-art methods. The code is available at https://github.com/JiarenX/AGAIN.
Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds provide specific inductive biases for embedding hierarchical or spherical data. However, they cannot align well with data of mixed graph topologies. We consider a larger class of pseudo-Riemannian manifolds that generalize hyperboloid and sphere. We develop new geodesic tools that allow for extending neural network operations into geodesically disconnected pseudo-Riemannian manifolds. As a consequence, we derive a pseudo-Riemannian GCN that models data in pseudo-Riemannian manifolds of constant nonzero curvature in the context of graph neural networks. Our method provides a geometric inductive bias that is sufficiently flexible to model mixed heterogeneous topologies like hierarchical graphs with cycles. We demonstrate the representational capabilities of this method by applying it to the tasks of graph reconstruction, node classification and link prediction on a series of standard graphs with mixed topologies. Empirical results demonstrate that our method outperforms Riemannian counterparts when embedding graphs of complex topologies.
With the wide-spread availability of complex relational data, semi-supervised node classification in graphs has become a central machine learning problem. Graph neural networks are a recent class of easy-to-train and accurate methods for this problem that map the features in the neighborhood of a node to its label, but they ignore label correlation during inference and their predictions are difficult to interpret. On the other hand, collective classification is a traditional approach based on interpretable graphical models that explicitly model label correlations. Here, we introduce a model that combines the advantages of these two approaches, where we compute the marginal probabilities in a conditional random field, similar to collective classification, and the potentials in the random field are learned through end-to-end training, akin to graph neural networks. In our model, potentials on each node only depend on that node's features, and edge potentials are learned via a coupling matrix. This structure enables simple training with interpretable parameters, scales to large networks, naturally incorporates training labels at inference, and is often more accurate than related approaches. Our approach can be viewed as either an interpretable message-passing graph neural network or a collective classification method with higher capacity and modernized training.
Many recent works have studied the performance of Graph Neural Networks (GNNs) in the context of graph homophily - a label-dependent measure of connectivity. Traditional GNNs generate node embeddings by aggregating information from a node's neighbors in the graph. Recent results in node classification tasks show that this local aggregation approach performs poorly in graphs with low homophily (heterophilic graphs). Several mechanisms have been proposed to improve the accuracy of GNNs on such graphs by increasing the aggregation range of a GNN layer, either through multi-hop aggregation, or through long-range aggregation from distant nodes. In this paper, we show that properly tuned classical GNNs and multi-layer perceptrons match or exceed the accuracy of recent long-range aggregation methods on heterophilic graphs. Thus, our results highlight the need for alternative datasets to benchmark long-range GNN aggregation mechanisms. We also show that homophily is a poor measure of the information in a node's local neighborhood and propose the Neighborhood Information Content(NIC) metric, which is a novel information-theoretic graph metric. We argue that NIC is more relevant for local aggregation methods as used by GNNs. We show that, empirically, it correlates better with GNN accuracy in node classification tasks than homophily.
Imbalanced classification on graphs is ubiquitous yet challenging in many real-world applications, such as fraudulent node detection. Recently, graph neural networks (GNNs) have shown promising performance on many network analysis tasks. However, most existing GNNs have almost exclusively focused on the balanced networks, and would get unappealing performance on the imbalanced networks. To bridge this gap, in this paper, we present a generative adversarial graph network model, called ImGAGN to address the imbalanced classification problem on graphs. It introduces a novel generator for graph structure data, named GraphGenerator, which can simulate both the minority class nodes' attribute distribution and network topological structure distribution by generating a set of synthetic minority nodes such that the number of nodes in different classes can be balanced. Then a graph convolutional network (GCN) discriminator is trained to discriminate between real nodes and fake (i.e., generated) nodes, and also between minority nodes and majority nodes on the synthetic balanced network. To validate the effectiveness of the proposed method, extensive experiments are conducted on four real-world imbalanced network datasets. Experimental results demonstrate that the proposed method ImGAGN outperforms state-of-the-art algorithms for semi-supervised imbalanced node classification task.
We propose a novel solution to addressing a long-standing dilemma in the representation learning of graph neural networks (GNNs): how to effectively capture and represent useful information embedded in long-distance nodes to improve the performance of nodes with low homophily without leading to performance degradation in nodes with high homophily. This dilemma limits the generalization capability of existing GNNs. Intuitively, interactions with distant nodes introduce more noise for a node than those with close neighbors. However, in most existing works, messages being passed among nodes are mingled together, which is inefficient from a communication perspective. Our solution is based on a novel, simple, yet effective aggregation scheme, resulting in a ladder-style GNN architecture, namely LADDER-GNN. Specifically, we separate messages from different hops, assign different dimensions for them, and then concatenate them to obtain node representations. Such disentangled representations facilitate improving the information-to-noise ratio of messages passed from different hops. To explore an effective hop-dimension relationship, we develop a conditionally progressive neural architecture search strategy. Based on the searching results, we further propose an efficient approximate hop-dimension relation function to facilitate the rapid configuration of the proposed LADDER-GNN. We verify the proposed LADDER-GNN on seven diverse semi-supervised node classification datasets. Experimental results show that our solution achieves better performance than most existing GNNs. We further analyze our aggregation scheme with two commonly used GNN architectures, and the results corroborate that our scheme outperforms existing schemes in classifying low homophily nodes by a large margin.
Diffusion is a fundamental graph procedure and has been a basic building block in a wide range of theoretical and empirical applications such as graph partitioning and semi-supervised learning on graphs. In this paper, we study computationally efficient diffusion primitives beyond random walk. We design an $\widetilde{O}(m)$-time randomized algorithm for the $\ell_2$-norm flow diffusion problem, a recently proposed diffusion model based on network flow with demonstrated graph clustering related applications both in theory and in practice. Examples include finding locally-biased low conductance cuts. Using a known connection between the optimal dual solution of the flow diffusion problem and the local cut structure, our algorithm gives an alternative approach for finding such cuts in nearly linear time. From a technical point of view, our algorithm contributes a novel way of dealing with inequality constraints in graph optimization problems. It adapts the high-level algorithmic framework of nearly linear time Laplacian system solvers, but requires several new tools: vertex elimination under constraints, a new family of graph ultra-sparsifiers, and accelerated proximal gradient methods with inexact proximal mapping computation.
In representation learning on the graph-structured data, under heterophily (or low homophily), many popular GNNs may fail to capture long-range dependencies, which leads to their performance degradation. To solve the above-mentioned issue, we propose a graph convolutional networks with structure learning (GCN-SL), and furthermore, the proposed approach can be applied to node classification. The proposed GCN-SL contains two improvements: corresponding to node features and edges, respectively. In the aspect of node features, we propose an efficient-spectral-clustering (ESC) and an ESC with anchors (ESC-ANCH) algorithms to efficiently aggregate feature representations from all similar nodes. In the aspect of edges, we build a re-connected adjacency matrix by using a special data preprocessing technique and similarity learning, and the re-connected adjacency matrix can be optimized directly along with GCN-SL parameters. Considering that the original adjacency matrix may provide misleading information for aggregation in GCN, especially the graphs being with a low level of homophily. The proposed GCN-SL can aggregate feature representations from nearby nodes via re-connected adjacency matrix and is applied to graphs with various levels of homophily. Experimental results on a wide range of benchmark datasets illustrate that the proposed GCN-SL outperforms the stateof-the-art GNN counterparts.
This paper re-examines the concept of node equivalences like structural equivalence or automorphic equivalence, which have originally emerged in social network analysis to characterize the role an actor plays within a social system, but have since then been of independent interest for graph-based learning tasks. Traditionally, such exact node equivalences have been defined either in terms of the one hop neighborhood of a node, or in terms of the global graph structure. Here we formalize exact node roles with a scale-parameter, describing up to what distance the ego network of a node should be considered when assigning node roles - motivated by the idea that there can be local roles of a node that should not be determined by nodes arbitrarily far away in the network. We present numerical experiments that show how already "shallow" roles of depth 3 or 4 carry sufficient information to perform node classification tasks with high accuracy. These findings corroborate the success of recent graph-learning approaches that compute approximate node roles in terms of embeddings, by nonlinearly aggregating node features in an (un)supervised manner over relatively small neighborhood sizes. Indeed, based on our ideas we can construct a shallow classifier achieving on par results with recent graph neural network architectures.
We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks (GCNNs). We formalize the proposed model from an information-theoretic perspective, by maximizing the mutual information between topology transformations and node representations before and after the transformations. We derive that maximizing such mutual information can be relaxed to minimizing the cross entropy between the applied topology transformation and its estimation from node representations. In particular, we seek to sample a subset of node pairs from the original graph and flip the edge connectivity between each pair to transform the graph topology. Then, we self-train a representation encoder to learn node representations by reconstructing the topology transformations from the feature representations of the original and transformed graphs. In experiments, we apply the proposed model to the downstream node classification, graph classification and link prediction tasks, and results show that the proposed method outperforms the state-of-the-art unsupervised approaches.
The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as resampling, reweighting, and synthetic samples that deal with imbalanced datasets are no longer applicable in GNN. This paper proposes an ensemble model called Boosting-GNN, which uses GNNs as the base classifiers during boosting. In Boosting-GNN, higher weights are set for the training samples that are not correctly classified by the previous classifier, thus achieving higher classification accuracy and better reliability. Besides, transfer learning is used to reduce computational cost and increase fitting ability. Experimental results indicate that the proposed Boosting-GNN model achieves better performance than GCN, GraphSAGE, GAT, SGC, N-GCN, and most advanced reweighting and resampling methods on synthetic imbalanced datasets, with an average performance improvement of 4.5%