Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriads of graph analytic tasks and applications. In general, most GNNs depend on the homophily assumption that nodes belonging to the same class are more likely to be connected. However, as a ubiquitous graph property in numerous real-world scenarios, heterophily, i.e., nodes with different labels tend to be linked, significantly limits the performance of tailor-made homophilic GNNs. Hence, \textit{GNNs for heterophilic graphs} are gaining increasing attention in this community. To the best of our knowledge, in this paper, we provide a comprehensive review of GNNs for heterophilic graphs for the first time. Specifically, we propose a systematic taxonomy that essentially governs existing heterophilic GNN models, along with a general summary and detailed analysis. Furthermore, we summarize the mainstream heterophilic graph benchmarks to facilitate robust and fair evaluations. In the end, we point out the potential directions to advance and stimulate future research and applications on heterophilic graphs.

Graph Neural Networks for Graphs with Heterophily: A Survey

Deep learning on graphs has attracted significant interests recently. However, most of the works have focused on (semi-) supervised learning, resulting in shortcomings including heavy label reliance, poor generalization, and weak robustness. To address these issues, self-supervised learning (SSL), which extracts informative knowledge through well-designed pretext tasks without relying on manual labels, has become a promising and trending learning paradigm for graph data. Different from SSL on other domains like computer vision and natural language processing, SSL on graphs has an exclusive background, design ideas, and taxonomies. Under the umbrella of graph self-supervised learning, we present a timely and comprehensive review of the existing approaches which employ SSL techniques for graph data. We construct a unified framework that mathematically formalizes the paradigm of graph SSL. According to the objectives of pretext tasks, we divide these approaches into four categories: generation-based, auxiliary property-based, contrast-based, and hybrid approaches. We further conclude the applications of graph SSL across various research fields and summarize the commonly used datasets, evaluation benchmark, performance comparison and open-source codes of graph SSL. Finally, we discuss the remaining challenges and potential future directions in this research field.

Graph Self-Supervised Learning: A Survey

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures; besides, the dependence on explicit structures prevents GNNs from being applied to general unstructured scenarios. To address these issues, recently emerged deep graph structure learning (GSL) methods propose to jointly optimize the graph structure along with GNN under the supervision of a node classification task. Nonetheless, these methods focus on a supervised learning scenario, which leads to several problems, i.e., the reliance on labels, the bias of edge distribution, and the limitation on application tasks. In this paper, we propose a more practical GSL paradigm, unsupervised graph structure learning, where the learned graph topology is optimized by data itself without any external guidance (i.e., labels). To solve the unsupervised GSL problem, we propose a novel StrUcture Bootstrapping contrastive LearnIng fraMEwork (SUBLIME for abbreviation) with the aid of self-supervised contrastive learning. Specifically, we generate a learning target from the original data as an “anchor graph”, and use a contrastive loss to maximize the agreement between the anchor graph and the learned graph. To provide persistent guidance, we design a novel bootstrapping mechanism that upgrades the anchor graph with learned structures during model learning. We also design a series of graph learners and post-processing schemes to model the structures to learn. Extensive experiments on eight benchmark datasets demonstrate the significant effectiveness of our proposed SUBLIME and high quality of the optimized graphs.

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Towards Unsupervised Deep Graph Structure Learning

Data augmentation has recently seen increased interest in graph machine learning given its demonstrated ability to improve model performance and generalization by added training data. Despite this recent surge, the area is still relatively under-explored, due to the challenges brought by complex, non-Euclidean structure of graph data, which limits the direct analogizing of traditional augmentation operations on other types of image, video or text data. Our work aims to give a necessary and timely overview of existing graph data augmentation methods; notably, we present a comprehensive and systematic survey of graph data augmentation approaches, summarizing the literature in a structured manner. We first introduce three different taxonomies for categorizing graph data augmentation methods from the data, task, and learning perspectives, respectively. Next, we introduce recent advances in graph data augmentation, differentiated by their methodologies and applications. We conclude by outlining currently unsolved challenges and directions for future research. Overall, our work aims to clarify the landscape of existing literature in graph data augmentation and motivates additional work in this area, providing a helpful resource for researchers and practitioners in the broader graph machine learning domain. Additionally, we provide a continuously updated reading list at https://github.com/zhao-tong/graph-data-augmentation-papers.

Graph Data Augmentation for Graph Machine Learning: A Survey

Traveling salesman and vehicle routing problems with their variants, as classic combinatorial optimization problems, have attracted considerable attention for decades of their theoretical and practical value. Many classic algorithms have been proposed, for example, exact algorithms, heuristic algorithms, solution solvers, etc. Still, due to their complexity, even the most advanced traditional methods require too much computational time or are not well-defined mathematically; algorithm-based decision-making is no exception. Also, these methods cannot be generalized to a larger scale or other similar problems. With the latest developments in machine and deep learning, people believe it is feasible to apply reinforcement learning and other technologies in the decision-making or heuristic for learning combinatorial optimization. In this paper, we first gave an overview on how combinate deep reinforcement learning for the NP-hard combinatorial optimization, emphasizing general optimization problems as data points and exploring the relevant distribution of data used for learning in a given task. We next reviewed state-of-the-art learning techniques related to combinational optimization problems on graphs. Then, we summarized the experimental methods of using reinforcement learning to solve combinatorial optimization problems and analyzed the performance comparison of different algorithms. Lastly, we sorted out the challenges encountered by deep reinforcement learning in solving combinatorial optimization problems and future research directions.

Deep reinforcement learning for transportation network combinatorial optimization: A survey

Anomaly detection on attributed networks attracts considerable research interests due to wide applications of attributed networks in modeling a wide range of complex systems. Recently, the deep learning-based anomaly detection methods have shown promising results over shallow approaches, especially on networks with high-dimensional attributes and complex structures. However, existing approaches, which employ graph autoencoder as their backbone, do not fully exploit the rich information of the network, resulting in suboptimal performance. Furthermore, these methods do not directly target anomaly detection in their learning objective and fail to scale to large networks due to the full graph training mechanism. To overcome these limitations, in this article, we present a novel Contrastive self-supervised Learning framework for Anomaly detection on attributed networks (CoLA for abbreviation). Our framework fully exploits the local information from network data by sampling a novel type of contrastive instance pair, which can capture the relationship between each node and its neighboring substructure in an unsupervised way. Meanwhile, a well-designed graph neural network (GNN)-based contrastive learning model is proposed to learn informative embedding from high-dimensional attributes and local structure and measure the agreement of each instance pairs with its outputted scores. The multiround predicted scores by the contrastive learning model are further used to evaluate the abnormality of each node with statistical estimation. In this way, the learning model is trained by a specific anomaly detection-aware target. Furthermore, since the input of the GNN module is batches of instance pairs instead of the full network, our framework can adapt to large networks flexibly. Experimental results show that our proposed framework outperforms the state-of-the-art baseline methods on all seven benchmark data sets.

Anomaly Detection on Attributed Networks via Contrastive Self-Supervised Learning

Anomaly detection from graph data has drawn much attention due to its practical significance in many critical applications including cybersecurity, finance, and social networks. Existing data mining and machine learning methods are either shallow methods that could not effectively capture the complex interdependency of graph data or graph autoencoder methods that could not fully exploit the contextual information as supervision signals for effective anomaly detection. To overcome these challenges, in this paper, we propose a novel method, Self-Supervised Learning for Graph Anomaly Detection (SL-GAD). Our method constructs different contextual subgraphs (views) based on a target node and employs two modules, generative attribute regression and multi-view contrastive learning for anomaly detection. While the generative attribute regression module allows us to capture the anomalies in the attribute space, the multi-view contrastive learning module can exploit richer structure information from multiple subgraphs, thus it is able to capture the anomalies in the structure space, mixing of structure and attribute information. We conduct extensive experiments on six benchmark datasets and the results demonstrate that our method outperforms significantly state-of-the-art methods by a large margin.

Yixin Liu

Papers

Anomaly Detection on Attributed Networks via Contrastive Self-Supervised Learning

Graph Neural Networks for Graphs with Heterophily: A Survey

Graph Self-Supervised Learning: A Survey

Towards Unsupervised Deep Graph Structure Learning

Generative and Contrastive Self-Supervised Learning for Graph Anomaly Detection