Graph-level classification involves analyzing the property of the whole graph, which is typically solved by using graph neural networks (GNNs). Existing efforts generally assume a balanced class distribution. However, real-world data often exhibit long-tailed distributions, i.e., tail classes have significantly fewer samples than head classes, and thus directly applying GNNs is eventually biased toward the head classes, resulting in limited generalization over the tail classes. Moreover, the predictions of existing algorithms are usually not trustworthy, and the trained classifiers remain ignorant to their predictive confidence. Towards this end, in this paper we develop a principled framework called GraphEVER for long-tailed graph-level classification. Technically, GraphEVER incorporates the beliefs of multiple experts and leverages the idea of subjective logic within the Dempster-Shafer Evidence Theory (DST). It can provide the evidence and uncertainty estimation for each expert, where the evidence is parameterized by a Dirichlet distribution to model class probability distribution, and the uncertainty is quantified via a well-defined theoretical framework. In this way, diverse experts can be integrated under DST to endow the classifier with both reliability and robustness. Moreover, we propose an evidence-based routing mechanism to dynamically assign experts, such that the tail classes can receive more attention, while the head classes can reduce redundant engaged experts, further cutting down the computational cost and improving the efficiency. Extensive experiments on seven datasets verify the superiority of our proposed framework.

Graph-structured data exhibits universality and widespread applicability across diverse domains, such as social network analysis, biochemistry, financial fraud detection, and network security. Significant strides have been made in leveraging Graph Neural Networks (GNNs) to achieve remarkable success in these areas. However, in real-world scenarios, the training environment for models is often far from ideal, leading to substantial performance degradation of GNN models due to various unfavorable factors, including imbalance in data distribution, the presence of noise in erroneous data, privacy protection of sensitive information, and generalization capability for out-of-distribution (OOD) scenarios. To tackle these issues, substantial efforts have been devoted to improving the performance of GNN models in practical real-world scenarios, as well as enhancing their reliability and robustness. In this paper, we present a comprehensive survey that systematically reviews existing GNN models, focusing on solutions to the four mentioned real-world challenges including imbalance, noise, privacy, and OOD in practical scenarios that many existing reviews have not considered. Specifically, we first highlight the four key challenges faced by existing GNNs, paving the way for our exploration of real-world GNN models. Subsequently, we provide detailed discussions on these four aspects, dissecting how these solutions contribute to enhancing the reliability and robustness of GNN models. Last but not least, we outline promising directions and offer future perspectives in the field.

Graph neural networks (GNNs) have emerged as powerful tools for graph classification tasks. However, contemporary graph classification methods are predominantly studied in fully supervised scenarios, while there could be label ambiguity and noise in real-world applications. In this work, we explore the weakly supervised problem of partial label learning on graphs, where each graph sample is assigned a collection of candidate labels. A novel method calledDistribution Divergence-based Graph Contrast (DEER) is proposed to address this issue. At the heart of our DEER is to measure the divergence among the underlying semantic distributions in the hidden space and this metric enables the identification of accurate positive graph pairs for effective graph contrastive learning. Specifically, we generate graph representations of augmented graph views that retain semantics and can be regarded as samples from the underlying semantic distributions. We employ a non-parametric metric to measure distribution divergence, which is then combined with pseudo-labeling to generate unbiased and target-oriented graph pairs. Furthermore, we introduce a label-correction method to eliminate noisy candidate labels, updating target labels using posterior distributions in a soft manner. Comprehensive experiments on various benchmarks demonstrate the superiority of our DEER in different settings compared to a range of state-of-the-art baselines.

This paper studies the problem of class-imbalanced graph classification, which aims at effectively classifying the graph categories in scenarios with imbalanced class distributions. While graph neural networks (GNNs) have achieved remarkable success, their modeling ability on imbalanced graph-structured data remains suboptimal, which typically leads to predictions biased towards the majority classes. On the other hand, existing class-imbalanced learning methods in vision may overlook the rich graph semantic substructures of the majority classes and excessively emphasize learning from the minority classes. To address these challenges, we propose a simple yet powerful approach called C3GNN that integrates the idea of clustering into contrastive learning to enhance class-imbalanced graph classification. Technically, C3GNN clusters graphs from each majority class into multiple subclasses, with sizes comparable to the minority class, mitigating class imbalance. It also employs the Mixup technique to generate synthetic samples, enriching the semantic diversity of each subclass. Furthermore, supervised contrastive learning is used to hierarchically learn effective graph representations, enabling the model to thoroughly explore semantic substructures in majority classes while avoiding excessive focus on minority classes. Extensive experiments on real-world graph benchmark datasets verify the superior performance of our proposed method against competitive baselines.

Graph neural networks (GNNs) have shown remarkable success in graph-level classification tasks. However, most of the existing GNN-based studies are based on balanced datasets, while many real-world datasets exhibit long-tailed distributions. In such datasets, the tail classes receive limited attention during training, leading to prediction bias and degraded performance. To address this issue, a range of long-tailed learning strategies have been proposed, such as data re-balancing and transfer learning. However, these approaches encounter several challenges, including insufficient representation capacity for tail classes and their evaluation solely on uniform test data, limiting their capacity to handle unknown class distributions. To tackle these challenges, we introduce a novel framework, namely Knowledge-diverse Experts (KDEX) for long-tailed graph classification. Our KDEX leverages a dynamic memory module to enable the transfer of knowledge from head to tail, which improves the representation ability of the tail. To deal with unknown test distributions, KDEX introduces a knowledge-diverse expert training approach to train experts with different capacities in managing various test distributions. Moreover, we train the hierarchical router in a self-supervised manner to dynamically aggregate each knowledge-diverse expert during testing. Experimental results on multiple benchmarks reveal that our KDEX outperforms current baselines in both standard and test-agnostic long-tailed graph classification.

This paper studies the problem of semi-supervised learning on graphs, which has recently aroused widespread interest in relational data mininThe focal point of exploration in this area has been the utilization of graph neural networks (GNNs), which stand out for excellent performance. Previous methods, however, typically rely on the limited labeled data while ignoring the abundant structural information in unlabeled nodes inherently on graphs, easily resulting in overfitting, especially in scenarios where only a few label nodes are available. Even worse, GNNs, despite their success, are constrained by their ability to solely capture local neighborhood information through message-passing mechanisms, thereby falling short in modeling higher-order dependencies among nodes. To circumvent the above drawbacks, we propose a simple yet effective framework calledHypergraph COnsistencyLeArning (HOLA). Specifically, we employ a collaborative distillation framework consisting of a teacher network and a student network. To achieve effective interaction, we propose momentum distillation, a self-training method that enables the student network to learn from pseudo-targets generated by a momentum teacher network. Further, a novel hypergraph structure learning network is developed to model complex high-order relations among nodes with relational consistency learning, thereby transferring the knowledge to the student network. Extensive experiments conducted on a variety of benchmark datasets demonstrate the superior performance of the HOLA over various state-of-the-art methods.

This paper studies the problem of graph zero-shot learning, which aims at recognizing novel classes of nodes on the graph that are never seen during training. The key to graph zero-shot learning is establishing the mathematical relationship to transfer the prior knowledge of nodes from seen classes to unseen classes. However, the problem is largely under-explored and existing methods typically focus on acquiring supervision signals from seen classes or simply establishing connections between classes based solely on a semantic description matrix, such that the learned representations lack generalizable properties to unseen classes. To address this issue, this paper proposes GraphGCR that learns generalizable contrastive representations from the perspective of uniformity and alignment. Technically, GraphGCR leverages graph diffusion to extend supervised contrastive learning, encouraging the representations of semantics from different classes to be distributed uniformly and meanwhile achieve the alignment of node features and class semantics with the assistance of graph structural information. Moreover, to effectively enhance model generalizability, we further develop a class generator to synthesize features of unseen classes by embedding propagation and interpolation, thereby enriching the diversity of classes. Theoretical analysis also shows that our proposed framework exhibits strong discriminative property, which significantly enhances graph zero-shot learning. Experimental findings reveal that our GraphGCR achieves significant performance improvements over state-of-the-art methods across various benchmark datasets.

In this paper, we study semi-supervised graph classification, which aims at accurately predicting the categories of graphs in scenarios with limited labeled graphs and abundant unlabeled graphs. Despite the promising capability of graph neural networks (GNNs), they typically require a large number of costly labeled graphs, while a wealth of unlabeled graphs fail to be effectively utilized. Moreover, GNNs are inherently limited to encoding local neighborhood information using message-passing mechanisms, thus lacking the ability to model higher-order dependencies among nodes. To tackle these challenges, we propose a Hypergraph-Enhanced DuAL framework named HEAL for semi-supervised graph classification, which captures graph semantics from the perspective of the hypergraph and the line graph, respectively. Specifically, to better explore the higher-order relationships among nodes, we design a hypergraph structure learning to adaptively learn complex node dependencies beyond pairwise relations. Meanwhile, based on the learned hypergraph, we introduce a line graph to capture the interaction between hyperedges, thereby better mining the underlying semantic structures. Finally, we develop a relational consistency learning to facilitate knowledge transfer between the two branches and provide better mutual guidance. Extensive experiments on real-world graph datasets verify the effectiveness of the proposed method against existing state-of-the-art methods.

The recently developed unsupervised graph representation learning approaches apply contrastive learning into graph-structured data and achieve promising performance. However, these methods mainly focus on graph augmentation for positive samples, while the negative mining strategies for graph contrastive learning are less explored, leading to sub-optimal performance. To tackle this issue, we propose a Graph Adversarial Contrastive Learning (GraphACL) scheme that learns a bank of negative samples for effective self-supervised whole-graph representation learning. Our GraphACL consists of (i) a graph encoding branch that generates the representations of positive samples and (ii) an adversarial generation branch that produces a bank of negative samples. To generate more powerful hard negative samples, our method minimizes the contrastive loss during encoding updating while maximizing the contrastive loss adversarially over the negative samples for providing the challenging contrastive task. Moreover, the quality of representations produced by the adversarial generation branch is enhanced through the regularization of carefully designed bank divergence loss and bank orthogonality loss. We optimize the parameters of the graph encoding branch and adversarial generation branch alternately. Extensive experiments on 14 real-world benchmarks on both graph classification and transfer learning tasks demonstrate the effectiveness of the proposed approach over existing graph self-supervised representation learning methods.

Graph classification is a crucial task in many real-world multimedia applications, where graphs can represent various multimedia data types such as images, videos, and social networks. Previous efforts have applied graph neural networks (GNNs) in balanced situations where the class distribution is balanced. However, real-world data typically exhibit long-tailed class distributions, resulting in a bias towards the head classes when using GNNs and limited generalization ability over the tail classes. Recent approaches mainly focus on re-balancing different classes during model training, which fails to explicitly introduce new knowledge and sacrifices the performance of the head classes. To address these drawbacks, we propose a novel framework called Retrieval Augmented Hybrid Network (RAHNet) to jointly learn a robust feature extractor and an unbiased classifier in a decoupled manner. In the feature extractor training stage, we develop a graph retrieval module to search for relevant graphs that directly enrich the intra-class diversity for the tail classes. Moreover, we innovatively optimize a category-centered supervised contrastive loss to obtain discriminative representations, which is more suitable for long-tailed scenarios. In the classifier fine-tuning stage, we balance the classifier weights with two weight regularization techniques, i.e., Max-norm and weight decay. Experiments on various popular benchmarks verify the superiority of the proposed method against state-of-the-art approaches.

Graph Neural Networks (GNNs) have garnered considerable interest due to their exceptional performance in a wide range of graph machine learning tasks. Nevertheless, the majority of GNN-based approaches have been examined using well-annotated benchmark datasets, leading to suboptimal performance in real-world graph learning scenarios. To bridge this gap, the present paper investigates the problem of graph transfer learning in the presence of label noise, which transfers knowledge from a noisy source graph to an unlabeled target graph. We introduce a novel technique termed Balance Alignment and Information-aware Examination (ALEX) to address this challenge. ALEX first employs singular value decomposition to generate different views with crucial structural semantics, which help provide robust node representations using graph contrastive learning. To mitigate both label shift and domain shift, we estimate a prior distribution to build subgraphs with balanced label distributions. Building on this foundation, an adversarial domain discriminator is incorporated for the implicit domain alignment of complex multi-modal distributions. Furthermore, we project node representations into a different space, optimizing the mutual information between the projected features and labels. Subsequently, the inconsistency of similarity structures is evaluated to identify noisy samples with potential overfitting. Comprehensive experiments on various benchmark datasets substantiate the outstanding superiority of the proposed ALEX in different settings.

Graph classification, aiming at learning the graph-level representations for effective class assignments, has received outstanding achievements, which heavily relies on high-quality datasets that have balanced class distribution. In fact, most real-world graph data naturally presents a long-tailed form, where the head classes occupy much more samples than the tail classes, it thus is essential to study the graph-level classification over long-tailed data while still remaining largely unexplored. However, most existing long-tailed learning methods in visions fail to jointly optimize the representation learning and classifier training, as well as neglect the mining of the hard-to-classify classes. Directly applying existing methods to graphs may lead to sub-optimal performance, since the model trained on graphs would be more sensitive to the long-tailed distribution due to the complex topological characteristics. Hence, in this paper, we propose a novel long-tailed graph-level classification framework viaCollaborativeMulti-expert Learning (CoMe) to tackle the problem. To equilibrate the contributions of head and tail classes, we first develop balanced contrastive learning from the view of representation learning, and then design an individual-expert classifier training based on hard class mining. In addition, we execute gated fusion and disentangled knowledge distillation among the multiple experts to promote the collaboration in a multi-expert framework. Comprehensive experiments are performed on seven widely-used benchmark datasets to demonstrate the superiority of our method CoMe over state-of-the-art baselines.