Graph neural networks (GNNs) have found widespread application in modeling graph data across diverse domains. While GNNs excel in scenarios where the testing data shares the distribution of their training counterparts (in distribution, ID), they often exhibit incorrect predictions when confronted with samples from an unfamiliar distribution (out-of-distribution, OOD). To identify and reject OOD samples with GNNs, recent studies have explored graph OOD detection, often focusing on training a specific model or modifying the data on top of a well-trained GNN. Despite their effectiveness, these methods come with heavy training resources and costs, as they need to optimize the GNN-based models on training data. Moreover, their reliance on modifying the original GNNs and accessing training data further restricts their universality. To this end, this paper introduces a method to detect Graph Out-of-Distribution At Test-time (namely GOODAT), a data-centric, unsupervised, and plug-and-play solution that operates independently of training data and modifications of GNN architecture. With a lightweight graph masker, GOODAT can learn informative subgraphs from test samples, enabling the capture of distinct graph patterns between OOD and ID samples. To optimize the graph masker, we meticulously design three unsupervised objective functions based on the graph information bottleneck principle, motivating the masker to capture compact yet informative subgraphs for OOD detection. Comprehensive evaluations confirm that our GOODAT method outperforms state-of-the-art benchmarks across a variety of real-world datasets. The code is available at Github: https://github.com/Ee1s/GOODAT
Graph Neural Networks (GNNs) have been a prevailing technique for tackling various analysis tasks on graph data. A key premise for the remarkable performance of GNNs relies on complete and trustworthy initial graph descriptions (i.e., node features and graph structure), which is often not satisfied since real-world graphs are often incomplete due to various unavoidable factors. In particular, GNNs face greater challenges when both node features and graph structure are incomplete at the same time. The existing methods either focus on feature completion or structure completion. They usually rely on the matching relationship between features and structure, or employ joint learning of node representation and feature (or structure) completion in the hope of achieving mutual benefit. However, recent studies confirm that the mutual interference between features and structure leads to the degradation of GNN performance. When both features and structure are incomplete, the mismatch between features and structure caused by the missing randomness exacerbates the interference between the two, which may trigger incorrect completions that negatively affect node representation. To this end, in this paper we propose a general GNN framework based on teacher-student distillation to improve the performance of GNNs on incomplete graphs, namely T2-GNN. To avoid the interference between features and structure, we separately design feature-level and structure-level teacher models to provide targeted guidance for student model (base GNNs, such as GCN) through distillation. Then we design two personalized methods to obtain well-trained feature and structure teachers. To ensure that the knowledge of the teacher model is comprehensively and effectively distilled to the student model, we further propose a dual distillation mode to enable the student to acquire as much expert knowledge as possible.
Graph-Convolution-based methods have been successfully applied to representation learning on homophily graphs where nodes with the same label or similar attributes tend to connect with one another. Due to the homophily assumption of Graph Convolutional Networks (GCNs) that these methods use, they are not suitable for heterophily graphs where nodes with different labels or dissimilar attributes tend to be adjacent. Several methods have attempted to address this heterophily problem, but they do not change the fundamental aggregation mechanism of GCNs because they rely on summation operators to aggregate information from neighboring nodes, which is implicitly subject to the homophily assumption. Here, we introduce a novel aggregation mechanism and develop a RAndom Walk Aggregation-based Graph Neural Network (called RAW-GNN) method. The proposed approach integrates the random walk strategy with graph neural networks. The new method utilizes breadth-first random walk search to capture homophily information and depth-first search to collect heterophily information. It replaces the conventional neighborhoods with path-based neighborhoods and introduces a new path-based aggregator based on Recurrent Neural Networks. These designs make RAW-GNN suitable for both homophily and heterophily graphs. Extensive experimental results showed that the new method achieved state-of-the-art performance on a variety of homophily and heterophily graphs.
Trust evaluation is critical for many applications such as cyber security, social communication and recommender systems. Users and trust relationships among them can be seen as a graph. Graph neural networks (GNNs) show their powerful ability for analyzing graph-structural data. Very recently, existing work attempted to introduce the attributes and asymmetry of edges into GNNs for trust evaluation, while failed to capture some essential properties (e.g., the propagative and composable nature) of trust graphs. In this work, we propose a new GNN based trust evaluation method named TrustGNN, which integrates smartly the propagative and composable nature of trust graphs into a GNN framework for better trust evaluation. Specifically, TrustGNN designs specific propagative patterns for different propagative processes of trust, and distinguishes the contribution of different propagative processes to create new trust. Thus, TrustGNN can learn comprehensive node embeddings and predict trust relationships based on these embeddings. Experiments on some widely-used real-world datasets indicate that TrustGNN significantly outperforms the state-of-the-art methods. We further perform analytical experiments to demonstrate the effectiveness of the key designs in TrustGNN.
Graph Convolutional Network (GCN) has shown remarkable potential of exploring graph representation. However, the GCN aggregating mechanism fails to generalize to networks with heterophily where most nodes have neighbors from different classes, which commonly exists in real-world networks. In order to make the propagation and aggregation mechanism of GCN suitable for both homophily and heterophily (or even their mixture), we introduce block modeling into the framework of GCN so that it can realize "block-guided classified aggregation", and automatically learn the corresponding aggregation rules for neighbors of different classes. By incorporating block modeling into the aggregation process, GCN is able to aggregate information from homophilic and heterophilic neighbors discriminately according to their homophily degree. We compared our algorithm with state-of-art methods which deal with the heterophily problem. Empirical results demonstrate the superiority of our new approach over existing methods in heterophilic datasets while maintaining a competitive performance in homophilic datasets.
* Accepted by Thirty-Sixth AAAI Conference on Artificial Intelligence
Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class are prone to connect to each other), while ignoring the heterophily which exists in many real-world networks (i.e., nodes with different classes tend to form edges). Existing methods deal with heterophily by mainly aggregating higher-order neighborhoods or combing the immediate representations, which leads to noise and irrelevant information in the result. But these methods did not change the propagation mechanism which works under homophily assumption (that is a fundamental part of GCNs). This makes it difficult to distinguish the representation of nodes from different classes. To address this problem, in this paper we design a novel propagation mechanism, which can automatically change the propagation and aggregation process according to homophily or heterophily between node pairs. To adaptively learn the propagation process, we introduce two measurements of homophily degree between node pairs, which is learned based on topological and attribute information, respectively. Then we incorporate the learnable homophily degree into the graph convolution framework, which is trained in an end-to-end schema, enabling it to go beyond the assumption of homophily. More importantly, we theoretically prove that our model can constrain the similarity of representations between nodes according to their homophily degree. Experiments on seven real-world datasets demonstrate that this new approach outperforms the state-of-the-art methods under heterophily or low homophily, and gains competitive performance under homophily.
The current state-of-the-art model HiAGM for hierarchical text classification has two limitations. First, it correlates each text sample with all labels in the dataset which contains irrelevant information. Second, it does not consider any statistical constraint on the label representations learned by the structure encoder, while constraints for representation learning are proved to be helpful in previous work. In this paper, we propose HTCInfoMax to address these issues by introducing information maximization which includes two modules: text-label mutual information maximization and label prior matching. The first module can model the interaction between each text sample and its ground truth labels explicitly which filters out irrelevant information. The second one encourages the structure encoder to learn better representations with desired characteristics for all labels which can better handle label imbalance in hierarchical text classification. Experimental results on two benchmark datasets demonstrate the effectiveness of the proposed HTCInfoMax.
Heterogeneous information network (HIN) embedding, aiming to map the structure and semantic information in a HIN to distributed representations, has drawn considerable research attention. Graph neural networks for HIN embeddings typically adopt a hierarchical attention (including node-level and meta-path-level attentions) to capture the information from meta-path-based neighbors. However, this complicated attention structure often cannot achieve the function of selecting meta-paths due to severe overfitting. Moreover, when propagating information, these methods do not distinguish direct (one-hop) meta-paths from indirect (multi-hop) ones. But from the perspective of network science, direct relationships are often believed to be more essential, which can only be used to model direct information propagation. To address these limitations, we propose a novel neural network method via implicitly utilizing attention and meta-paths, which can relieve the severe overfitting brought by the current over-parameterized attention mechanisms on HIN. We first use the multi-layer graph convolutional network (GCN) framework, which performs a discriminative aggregation at each layer, along with stacking the information propagation of direct linked meta-paths layer-by-layer, realizing the function of attentions for selecting meta-paths in an indirect way. We then give an effective relaxation and improvement via introducing a new propagation operation which can be separated from aggregation. That is, we first model the whole propagation process with well-defined probabilistic diffusion dynamics, and then introduce a random graph-based constraint which allows it to reduce noise with the increase of layers. Extensive experiments demonstrate the superiority of the new approach over state-of-the-art methods.