Heterogeneous Information Network (HIN) is essential to study complicated networks containing multiple edge types and node types. Meta-path, a sequence of node types and edge types, is the core technique to embed HINs. Since manually curating meta-paths is time-consuming, there is a pressing need to develop automated meta-path generation approaches. Existing meta-path generation approaches cannot fully exploit the rich textual information in HINs, such as node names and edge type names. To address this problem, we propose MetaFill, a text-infilling-based approach for meta-path generation. The key idea of MetaFill is to formulate meta-path identification problem as a word sequence infilling problem, which can be advanced by Pretrained Language Models (PLMs). We observed the superior performance of MetaFill against existing meta-path generation methods and graph embedding methods that do not leverage meta-paths in both link prediction and node classification on two real-world HIN datasets. We further demonstrated how MetaFill can accurately classify edges in the zero-shot setting, where existing approaches cannot generate any meta-paths. MetaFill exploits PLMs to generate meta-paths for graph embedding, opening up new avenues for language model applications in graph analysis.
Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using graph structures based on the relational inductive bias (homophily assumption). While GNNs have been commonly believed to outperform NNs in real-world tasks, recent work has identified a non-trivial set of datasets where their performance compared to NNs is not satisfactory. Heterophily has been considered the main cause of this empirical observation and numerous works have been put forward to address it. In this paper, we first revisit the widely used homophily metrics and point out that their consideration of only graph-label consistency is a shortcoming. Then, we study heterophily from the perspective of post-aggregation node similarity and define new homophily metrics, which are potentially advantageous compared to existing ones. Based on this investigation, we prove that some harmful cases of heterophily can be effectively addressed by local diversification operation. Then, we propose the Adaptive Channel Mixing (ACM), a framework to adaptively exploit aggregation, diversification and identity channels node-wisely to extract richer localized information for diverse node heterophily situations. ACM is more powerful than the commonly used uni-channel framework for node classification tasks on heterophilic graphs and is easy to be implemented in baseline GNN layers. When evaluated on 10 benchmark node classification tasks, ACM-augmented baselines consistently achieve significant performance gain, exceeding state-of-the-art GNNs on most tasks without incurring significant computational burden.
Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory space. Up to now, though numerous scalable GNN architectures have been proposed, we still lack a comprehensive survey and fair benchmark of this reservoir to find the rationale for designing scalable GNNs. To this end, we first systematically formulate the representative methods of large-scale graph training into several branches and further establish a fair and consistent benchmark for them by a greedy hyperparameter searching. In addition, regarding efficiency, we theoretically evaluate the time and space complexity of various branches and empirically compare them w.r.t GPU memory usage, throughput, and convergence. Furthermore, We analyze the pros and cons for various branches of scalable GNNs and then present a new ensembling training manner, named EnGCN, to address the existing issues. Our code is available at https://github.com/VITA-Group/Large_Scale_GCN_Benchmarking.
In recent years, graph representation learning has gained significant popularity, which aims to generate node embeddings that capture features of graphs. One of the methods to achieve this is employing a technique called random walks that captures node sequences in a graph and then learns embeddings for each node using a natural language processing technique called Word2Vec. These embeddings are then used for deep learning on graph data for classification tasks, such as link prediction or node classification. Prior work operates on pre-collected temporal graph data and is not designed to handle updates on a graph in real-time. Real world graphs change dynamically and their entire temporal updates are not available upfront. In this paper, we propose an end-to-end graph learning pipeline that performs temporal graph construction, creates low-dimensional node embeddings, and trains multi-layer neural network models in an online setting. The training of the neural network models is identified as the main performance bottleneck as it performs repeated matrix operations on many sequentially connected low-dimensional kernels. We propose to unlock fine-grain parallelism in these low-dimensional kernels to boost performance of model training.
How can we solve semi-supervised node classification in various graphs possibly with noisy features and structures? Graph neural networks (GNNs) have succeeded in many graph mining tasks, but their generalizability to various graph scenarios is limited due to the difficulty of training, hyperparameter tuning, and the selection of a model itself. Einstein said that we should "make everything as simple as possible, but not simpler." We rephrase it into the careful simplicity principle: a carefully-designed simple model can surpass sophisticated ones in real-world graphs. Based on the principle, we propose SlimG for semi-supervised node classification, which exhibits four desirable properties: It is (a) accurate, winning or tying on 10 out of 13 real-world datasets; (b) robust, being the only one that handles all scenarios of graph data (homophily, heterophily, random structure, noisy features, etc.); (c) fast and scalable, showing up to 18 times faster training in million-scale graphs; and (d) interpretable, thanks to the linearity and sparsity. We explain the success of SlimG through a systematic study of the designs of existing GNNs, sanity checks, and comprehensive ablation studies.
Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. To enhance the task generalization across tasks, as an important first step forward in exploring fundamental graph models, we introduce PARETOGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, PARETOGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that PARETOGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performances, demonstrating that PARETOGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies. Our code is publicly available at https://github.com/jumxglhf/ParetoGNN.
Training graph neural networks (GNNs) on large graphs is complex and extremely time consuming. This is attributed to overheads caused by sparse matrix multiplication, which are sidestepped when training multi-layer perceptrons (MLPs) with only node features. MLPs, by ignoring graph context, are simple and faster for graph data, however they usually sacrifice prediction accuracy, limiting their applications for graph data. We observe that for most message passing-based GNNs, we can trivially derive an analog MLP (we call this a PeerMLP) with an equivalent weight space, by setting the trainable parameters with the same shapes, making us curious about \textbf{\emph{how do GNNs using weights from a fully trained PeerMLP perform?}} Surprisingly, we find that GNNs initialized with such weights significantly outperform their PeerMLPs, motivating us to use PeerMLP training as a precursor, initialization step to GNN training. To this end, we propose an embarrassingly simple, yet hugely effective initialization method for GNN training acceleration, called MLPInit. Our extensive experiments on multiple large-scale graph datasets with diverse GNN architectures validate that MLPInit can accelerate the training of GNNs (up to 33X speedup on OGB-Products) and often improve prediction performance (e.g., up to $7.97\%$ improvement for GraphSAGE across $7$ datasets for node classification, and up to $17.81\%$ improvement across $4$ datasets for link prediction on metric Hits@10). The code is available at \href{https://github.com/snap-research/MLPInit-for-GNNs}.
We present Gradient Gating (G$^2$), a novel framework for improving the performance of Graph Neural Networks (GNNs). Our framework is based on gating the output of GNN layers with a mechanism for multi-rate flow of message passing information across nodes of the underlying graph. Local gradients are harnessed to further modulate message passing updates. Our framework flexibly allows one to use any basic GNN layer as a wrapper around which the multi-rate gradient gating mechanism is built. We rigorously prove that G$^2$ alleviates the oversmoothing problem and allows the design of deep GNNs. Empirical results are presented to demonstrate that the proposed framework achieves state-of-the-art performance on a variety of graph learning tasks, including on large-scale heterophilic graphs.
Graph contrastive learning (GCL), as an emerging self-supervised learning technique on graphs, aims to learn representations via instance discrimination. Its performance heavily relies on graph augmentation to reflect invariant patterns that are robust to small perturbations; yet it still remains unclear about what graph invariance GCL should capture. Recent studies mainly perform topology augmentations in a uniformly random manner in the spatial domain, ignoring its influence on the intrinsic structural properties embedded in the spectral domain. In this work, we aim to find a principled way for topology augmentations by exploring the invariance of graphs from the spectral perspective. We develop spectral augmentation which guides topology augmentations by maximizing the spectral change. Extensive experiments on both graph and node classification tasks demonstrate the effectiveness of our method in self-supervised representation learning. The proposed method also brings promising generalization capability in transfer learning, and is equipped with intriguing robustness property under adversarial attacks. Our study sheds light on a general principle for graph topology augmentation.
Node embedding methods map network nodes to low dimensional vectors that can be subsequently used in a variety of downstream prediction tasks. The popularity of these methods has grown significantly in recent years, yet, their robustness to perturbations of the input data is still poorly understood. In this paper, we assess the empirical robustness of node embedding models to random and adversarial poisoning attacks. Our systematic evaluation covers representative embedding methods based on Skip-Gram, matrix factorization, and deep neural networks. We compare edge addition, deletion and rewiring attacks computed using network properties as well as node labels. We also investigate the performance of popular node classification attack baselines that assume full knowledge of the node labels. We report qualitative results via embedding visualization and quantitative results in terms of downstream node classification and network reconstruction performances. We find that node classification results are impacted more than network reconstruction ones, that degree-based and label-based attacks are on average the most damaging and that label heterophily can strongly influence attack performance.
Multimodal machine learning has been widely studied for the development of general intelligence. Recently, the remarkable multimodal algorithms, the Perceiver and Perceiver IO, show competitive results for diverse dataset domains and tasks. However, recent works, Perceiver and Perceiver IO, have focused on heterogeneous modalities, including image, text, and speech, and there are few research works for graph structured datasets. A graph is one of the most generalized dataset structures, and we can represent the other dataset, including images, text, and speech, as graph structured data. A graph has an adjacency matrix different from other dataset domains such as text and image, and it is not trivial to handle the topological information, relational information, and canonical positional information. In this study, we provide a Graph Perceiver IO, the Perceiver IO for the graph structured dataset. We keep the main structure of the Graph Perceiver IO as the Perceiver IO because the Perceiver IO already handles the diverse dataset well, except for the graph structured dataset. The Graph Perceiver IO is a general method, and it can handle diverse datasets such as graph structured data as well as text and images. Comparing the graph neural networks, the Graph Perceiver IO requires a lower complexity, and it can incorporate the local and global information efficiently. We show that Graph Perceiver IO shows competitive results for diverse graph-related tasks, including node classification, graph classification, and link prediction.
We present evidence for the existence and effectiveness of adversarial attacks on graph neural networks (GNNs) that aim to degrade fairness. These attacks can disadvantage a particular subgroup of nodes in GNN-based node classification, where nodes of the underlying network have sensitive attributes, such as race or gender. We conduct qualitative and experimental analyses explaining how adversarial link injection impairs the fairness of GNN predictions. For example, an attacker can compromise the fairness of GNN-based node classification by injecting adversarial links between nodes belonging to opposite subgroups and opposite class labels. Our experiments on empirical datasets demonstrate that adversarial fairness attacks can significantly degrade the fairness of GNN predictions (attacks are effective) with a low perturbation rate (attacks are efficient) and without a significant drop in accuracy (attacks are deceptive). This work demonstrates the vulnerability of GNN models to adversarial fairness attacks. We hope our findings raise awareness about this issue in our community and lay a foundation for the future development of GNN models that are more robust to such attacks.
As real-world graphs expand in size, larger GNN models with billions of parameters are deployed. High parameter count in such models makes training and inference on graphs expensive and challenging. To reduce the computational and memory costs of GNNs, optimization methods such as pruning the redundant nodes and edges in input graphs have been commonly adopted. However, model compression, which directly targets the sparsification of model layers, has been mostly limited to traditional Deep Neural Networks (DNNs) used for tasks such as image classification and object detection. In this paper, we utilize two state-of-the-art model compression methods (1) train and prune and (2) sparse training for the sparsification of weight layers in GNNs. We evaluate and compare the efficiency of both methods in terms of accuracy, training sparsity, and training FLOPs on real-world graphs. Our experimental results show that on the ia-email, wiki-talk, and stackoverflow datasets for link prediction, sparse training with much lower training FLOPs achieves a comparable accuracy with the train and prune method. On the brain dataset for node classification, sparse training uses a lower number FLOPs (less than 1/7 FLOPs of train and prune method) and preserves a much better accuracy performance under extreme model sparsity.
Though graph representation learning (GRL) has made significant progress, it is still a challenge to extract and embed the rich topological structure and feature information in an adequate way. Most existing methods focus on local structure and fail to fully incorporate the global topological structure. To this end, we propose a novel Structure-Preserving Graph Representation Learning (SPGRL) method, to fully capture the structure information of graphs. Specifically, to reduce the uncertainty and misinformation of the original graph, we construct a feature graph as a complementary view via k-Nearest Neighbor method. The feature graph can be used to contrast at node-level to capture the local relation. Besides, we retain the global topological structure information by maximizing the mutual information (MI) of the whole graph and feature embeddings, which is theoretically reduced to exchanging the feature embeddings of the feature and the original graphs to reconstruct themselves. Extensive experiments show that our method has quite superior performance on semi-supervised node classification task and excellent robustness under noise perturbation on graph structure or node features.
Heterogeneous graph neural networks (HGNNs) have attracted increasing research interest in recent three years. Most existing HGNNs fall into two classes. One class is meta-path-based HGNNs which either require domain knowledge to handcraft meta-paths or consume huge amount of time and memory to automatically construct meta-paths. The other class does not rely on meta-path construction. It takes homogeneous convolutional graph neural networks (Conv-GNNs) as backbones and extend them to heterogeneous graphs by introducing node-type- and edge-type-dependent parameters. Regardless of the meta-path dependency, most existing HGNNs employ shallow Conv-GNNs such as GCN and GAT to aggregate neighborhood information, and may have limited capability to capture information from high-order neighborhood. In this work, we propose two heterogeneous graph tree network models: Heterogeneous Graph Tree Convolutional Network (HetGTCN) and Heterogeneous Graph Tree Attention Network (HetGTAN), which do not rely on meta-paths to encode heterogeneity in both node features and graph structure. Extensive experiments on three real-world heterogeneous graph data demonstrate that the proposed HetGTCN and HetGTAN are efficient and consistently outperform all state-of-the-art HGNN baselines on semi-supervised node classification tasks, and can go deep without compromising performance.
Recent years have seen a surge in research on dynamic graph representation learning, which aims to model temporal graphs that are dynamic and evolving constantly over time. However, current work typically models graph dynamics with recurrent neural networks (RNNs), making them suffer seriously from computation and memory overheads on large temporal graphs. So far, scalability of dynamic graph representation learning on large temporal graphs remains one of the major challenges. In this paper, we present a scalable framework, namely SpikeNet, to efficiently capture the temporal and structural patterns of temporal graphs. We explore a new direction in that we can capture the evolving dynamics of temporal graphs with spiking neural networks (SNNs) instead of RNNs. As a low-power alternative to RNNs, SNNs explicitly model graph dynamics as spike trains of neuron populations and enable spike-based propagation in an efficient way. Experiments on three large real-world temporal graph datasets demonstrate that SpikeNet outperforms strong baselines on the temporal node classification task with lower computational costs. Particularly, SpikeNet generalizes to a large temporal graph (2.7M nodes and 13.9M edges) with significantly fewer parameters and computation overheads.Our code is publicly available at \url{https://github.com/EdisonLeeeee/SpikeNet}.
Node classification using Graph Neural Networks (GNNs) has been widely applied in various real-world scenarios. However, in recent years, compelling evidence emerges that the performance of GNN-based node classification may deteriorate substantially by topological perturbation, such as random connections or adversarial attacks. Various solutions, such as topological denoising methods and mechanism design methods, have been proposed to develop robust GNN-based node classifiers but none of these works can fully address the problems related to topological perturbations. Recently, the Bayesian label transition model is proposed to tackle this issue but its slow convergence may lead to inferior performance. In this work, we propose a new label inference model, namely LInDT, which integrates both Bayesian label transition and topology-based label propagation for improving the robustness of GNNs against topological perturbations. LInDT is superior to existing label transition methods as it improves the label prediction of uncertain nodes by utilizing neighborhood-based label propagation leading to better convergence of label inference. Besides, LIndT adopts asymmetric Dirichlet distribution as a prior, which also helps it to improve label inference. Extensive experiments on five graph datasets demonstrate the superiority of LInDT for GNN-based node classification under three scenarios of topological perturbations.
Existing Graph Neural Networks (GNNs) usually assume a balanced situation where both the class distribution and the node degree distribution are balanced. However, in real-world situations, we often encounter cases where a few classes (i.e., head class) dominate other classes (i.e., tail class) as well as in the node degree perspective, and thus naively applying existing GNNs eventually fall short of generalizing to the tail cases. Although recent studies proposed methods to handle long-tail situations on graphs, they only focus on either the class long-tailedness or the degree long-tailedness. In this paper, we propose a novel framework for training GNNs, called Long-Tail Experts for Graphs (LTE4G), which jointly considers the class long-tailedness, and the degree long-tailedness for node classification. The core idea is to assign an expert GNN model to each subset of nodes that are split in a balanced manner considering both the class and degree long-tailedness. After having trained an expert for each balanced subset, we adopt knowledge distillation to obtain two class-wise students, i.e., Head class student and Tail class student, each of which is responsible for classifying nodes in the head classes and tail classes, respectively. We demonstrate that LTE4G outperforms a wide range of state-of-the-art methods in node classification evaluated on both manual and natural imbalanced graphs. The source code of LTE4G can be found at https://github.com/SukwonYun/LTE4G.
Heterogeneous graph convolutional networks have gained great popularity in tackling various network analytical tasks on heterogeneous network data, ranging from link prediction to node classification. However, most existing works ignore the relation heterogeneity with multiplex network between multi-typed nodes and different importance of relations in meta-paths for node embedding, which can hardly capture the heterogeneous structure signals across different relations. To tackle this challenge, this work proposes a Multiplex Heterogeneous Graph Convolutional Network (MHGCN) for heterogeneous network embedding. Our MHGCN can automatically learn the useful heterogeneous meta-path interactions of different lengths in multiplex heterogeneous networks through multi-layer convolution aggregation. Additionally, we effectively integrate both multi-relation structural signals and attribute semantics into the learned node embeddings with both unsupervised and semi-supervised learning paradigms. Extensive experiments on five real-world datasets with various network analytical tasks demonstrate the significant superiority of MHGCN against state-of-the-art embedding baselines in terms of all evaluation metrics.
Node classification utilizing text-based node attributes has many real-world applications, ranging from prediction of paper topics in academic citation graphs to classification of user characteristics in social media networks. State-of-the-art node classification frameworks, such as GIANT, use a two-stage pipeline: first embedding the text attributes of graph nodes then feeding the resulting embeddings into a node classification model. In this paper, we eliminate these two stages and develop an end-to-end node classification model that builds upon GIANT, called End-to-End-GIANT (E2EG). The tandem utilization of a main and an auxiliary classification objectives in our approach results in a more robust model, enabling the BERT backbone to be switched out for a distilled encoder with a 25% - 40% reduction in the number of parameters. Moreover, the model's end-to-end nature increases ease of use, as it avoids the need of chaining multiple models for node classification. Compared to a GIANT+MLP baseline on the ogbn-arxiv and ogbn-products datasets, E2EG obtains slightly better accuracy in the transductive setting (+0.5%), while reducing model training time by up to 40%. Our model is also applicable in the inductive setting, outperforming GIANT+MLP by up to +2.23%.