Graph neural networks (GNNs) have achieved impressive performance when testing and training graph data come from identical distribution. However, existing GNNs lack out-of-distribution generalization abilities so that their performance substantially degrades when there exist distribution shifts between testing and training graph data. To solve this problem, in this work, we propose an out-of-distribution generalized graph neural network (OOD-GNN) for achieving satisfactory performance on unseen testing graphs that have different distributions with training graphs. Our proposed OOD-GNN employs a novel nonlinear graph representation decorrelation method utilizing random Fourier features, which encourages the model to eliminate the statistical dependence between relevant and irrelevant graph representations through iteratively optimizing the sample graph weights and graph encoder. We further present a global weight estimator to learn weights for training graphs such that variables in graph representations are forced to be independent. The learned weights help the graph encoder to get rid of spurious correlations and, in turn, concentrate more on the true connection between learned discriminative graph representations and their ground-truth labels. We conduct extensive experiments to validate the out-of-distribution generalization abilities on two synthetic and 12 real-world datasets with distribution shifts. The results demonstrate that our proposed OOD-GNN significantly outperforms state-of-the-art baselines.

Graph machine learning has been extensively studied in both academia and industry. Although booming with a vast number of emerging methods and techniques, most of the literature is built on the in-distribution hypothesis, i.e., testing and training graph data are identically distributed. However, this in-distribution hypothesis can hardly be satisfied in many real-world graph scenarios where the model performance substantially degrades when there exist distribution shifts between testing and training graph data. To solve this critical problem, out-of-distribution (OOD) generalization on graphs, which goes beyond the in-distribution hypothesis, has made great progress and attracted ever-increasing attention from the research community. In this paper, we comprehensively survey OOD generalization on graphs and present a detailed review of recent advances in this area. First, we provide a formal problem definition of OOD generalization on graphs. Second, we categorize existing methods into three classes from conceptually different perspectives, i.e., data, model, and learning strategy, based on their positions in the graph machine learning pipeline, followed by detailed discussions for each category. We also review the theories related to OOD generalization on graphs and introduce the commonly used graph datasets for thorough evaluations. Finally, we share our insights on future research directions.

Human behaviors in recommendation systems are driven by many high-level, complex, and evolving intentions behind their decision making processes. In order to achieve better performance, it is important for recommendation systems to be aware of user intentions besides considering the historical interaction behaviors. However, user intentions are seldom fully or easily observed in practice, so that the existing works are incapable of fully tracking and modeling user intentions, not to mention using them effectively into recommendation. In this paper, we present the I ntention-Aware S equential Rec ommendation ( ISRec ) method, for capturing the underlying intentions of each user that may lead to her next consumption behavior and improving recommendation performance. Specifically, we first extract the intentions of the target user from sequential contexts, then take complex intent transition into account through the message-passing mechanism on an intention graph, and finally obtain the future intentions of this target user from inference on the intention graph. The sequential recommendation for a user will be made based on the predicted user intentions, offering more transparent and explainable intermediate results for each recommendation. Extensive experiments on various real-world datasets demonstrate the superiority of our method against several state-of-the-art baselines in sequential recommendation in terms of different metrics.

In an era marked by the increasing adoption of Large Language Models (LLMs) for various tasks, there is a growing focus on exploring LLMs' capabilities in handling web data, particularly graph data. Dynamic graphs, which capture temporal network evolution patterns, are ubiquitous in real-world web data. Evaluating LLMs' competence in understanding spatial-temporal information on dynamic graphs is essential for their adoption in web applications, which remains unexplored in the literature. In this paper, we bridge the gap via proposing to evaluate LLMs' spatial-temporal understanding abilities on dynamic graphs, to the best of our knowledge, for the first time. Specifically, we propose the LLM4DyG benchmark, which includes nine specially designed tasks considering the capability evaluation of LLMs from both temporal and spatial dimensions. Then, we conduct extensive experiments to analyze the impacts of different data generators, data statistics, prompting techniques, and LLMs on the model performance. Finally, we propose Disentangled Spatial-Temporal Thoughts (DST2) for LLMs on dynamic graphs to enhance LLMs' spatial-temporal understanding abilities. Our main observations are: 1) LLMs have preliminary spatial-temporal understanding abilities on dynamic graphs, 2) Dynamic graph tasks show increasing difficulties for LLMs as the graph size and density increase, while not sensitive to the time span and data generation mechanism, 3) the proposed DST2 prompting method can help to improve LLMs' spatial-temporal understanding abilities on dynamic graphs for most tasks. The data and codes are publicly available at Github.

Self-supervised learning for graph neural networks has attracted considerable attention and shows notable successes in graph representation learning. However, the formation of a real-world graph typically arises from highly complex interactions of many latent factors. The existing self-supervised learning methods for GNNs are inherently holistic and neglect the entanglement of the latent factors, resulting in suboptimal learned representations for downstream tasks and difficult to be interpreted. Learning disentangled graph representations with self-supervised learning poses great challenges and remains largely ignored by the existing literature. In this paper, we introduce Independence Promoted Disentangled Graph Contrastive Learning ( IDGCL ) method, which can learn disentangled graph-level representations with self-supervision. In particular, we first identify the latent factors of the input graph and derive its factorized representations. Then we propose a factor-wise discrimination objective in a contrastive learning manner, which can force the factorized representations to independently reflect the expressive information from different latent factors. To further promote the independence between the representations, we employ the Hilbert-Schmidt Independence Criterion to eliminate the dependence among different representations, which is effectively integrated into the self-supervised framework as a regularizer. Extensive experiments on synthetic and real-world datasets demonstrate the superiority of our method against several state-of-the-art baselines.

Sequential recommendation, leveraging user-item interaction histories to provide personalized and timely suggestions, has drawn significant research interest recently. With the power of exploiting spatio-temporal dynamics, Dynamic Graph Neural Networks (DyGNNs) show great potential in sequential recommendation by modeling the dynamic relationship between users and items. However, spatio-temporal distribution shifts naturally exist in out-of-distribution sequential recommendation, where both user-item relationships and temporal sequences demonstrate pattern shifts. The out-of-distribution scenarios may lead to the failure of existing DyGNNs in handling spatio-temporal distribution shifts in sequential recommendation, given that the patterns they exploit tend to be variant w.r.t labels under distribution shifts. In this article, we propose Disentangled Intervention-based Dynamic graph Attention networks with Invariance Promotion ( I-DIDA ) to handle spatio-temporal distribution shifts in sequential recommendation by discovering and utilizing invariant patterns , i.e., structures and features whose predictive abilities are stable across distribution shifts. Specifically, we first propose a disentangled spatio-temporal attention network to capture the variant and invariant patterns. By utilizing the disentangled patterns, we design a spatio-temporal intervention mechanism to create multiple interventional distributions and an environment inference module to infer the latent spatio-temporal environments, and minimize the invariance loss to leverage the invariant patterns with stable predictive abilities under distribution shifts. Extensive experiments demonstrate the superiority of our method over state-of-the-art sequential recommendation baselines under distribution shifts.