Temporal graphs are essential for modeling complex real-world systems, such as social interactions, financial transactions, and recommendation systems, but the high computational cost and model complexity of dynamic graph neural networks (DGNNs) pose significant challenges for practical deployment. Although various pruning and sampling techniques have proven effective in accelerating static GNNs, they fall short in dynamic settings due to temporal dependencies in evolving graph structures. To address these challenges, we propose TrimDG, a general framework that accelerates DGNNs by eliminating both static and runtime redundancies. For static redundancy, we introduce a novel node influence metric, Temporal Personalized PageRank (TPP), to prune less informative nodes, and employ temporal binning to remove redundant events. For runtime redundancy during training, we develop an adaptive sampling strategy guided by graph information bottleneck and further reduce sampling frequency through temporal batch selector and sampling cache. Theoretical analysis supports our design, and experiments on real-world datasets show that TrimDG reduces runtime by an average of 83.49% across diverse DGNN backbones, while maintaining strong predictive performance, demonstrating both its efficiency and generalizability.

Diversified recommendation has attracted increasing attention from both researchers and practitioners, which can effectively address the homogeneity of recommended items. Existing approaches predominantly aim to infer the diversity of user preferences from observed user feedback. Nonetheless, due to inherent data biases, the observed data may not fully reflect user interests, where underexplored preferences can be overwhelmed or remain unmanifested. Failing to capture these preferences can lead to suboptimal diversity in recommendations. To fill this gap, this work aims to study diversified recommendation from a data-bias perspective. Inspired by the outstanding performance of large language models (LLMs) in zero-shot inference leveraging world knowledge, we propose a novel approach that utilizes LLMs' expertise to uncover underexplored user preferences from observed behavior, ultimately providing diverse and relevant recommendations. To achieve this, we first introduce Tree of Preferences (ToP), an innovative structure constructed to model user preferences from coarse to fine. ToP enables LLMs to systematically reason over the user's rationale behind their behavior, thereby uncovering their underexplored preferences. To guide diversified recommendations using uncovered preferences, we adopt a data-centric approach, identifying candidate items that match user preferences and generating synthetic interactions that reflect underexplored preferences. These interactions are integrated to train a general recommender for diversification. Moreover, we scale up overall efficiency by dynamically selecting influential users during optimization. Extensive evaluations of both diversity and relevance show that our approach outperforms existing methods in most cases and achieves near-optimal performance in others, with reasonable inference latency.

The paradigm of pre-training and fine-tuning graph neural networks has attracted wide research attention. In previous studies, the pre-trained models are viewed as universally versatile, and applied for a diverse range of downstream tasks. In many situations, however, this practice results in limited or even negative transfer. This paper, for the first time, emphasizes the specific application scope of graph pre-trained models: not all downstream tasks can effectively benefit from a graph pre-trained model. In light of this, we introduce the measure task consistency to quantify the similarity between graph pre-training and downstream tasks. This measure assesses the extent to which downstream tasks can benefit from specific pre-training tasks. Moreover, a novel fine-tuning strategy, Bridge-Tune, is proposed to further diminish the impact of the difference between pre-training and downstream tasks. The key innovation in Bridge-Tune is an intermediate step that bridges pre-training and downstream tasks. This step takes into account the task differences and further refines the pre-trained model. The superiority of the presented fine-tuning strategy is validated via numerous experiments with different pre-trained models and downstream tasks.

Graph neural networks (GNNs) have demonstrated remarkable success in numerous graph analytical tasks. Yet, their effectiveness is often compromised in real-world scenarios due to distribution shifts, limiting their capacity for knowledge transfer across changing environments or domains. Recently, Unsupervised Graph Domain Adaptation (UGDA) has been introduced to resolve this issue. UGDA aims to facilitate knowledge transfer from a labeled source graph to an unlabeled target graph. Current UGDA efforts primarily focus on model-centric methods, such as employing domain invariant learning strategies and designing model architectures. However, our critical examination reveals the limitations inherent to these model-centric methods, while a data-centric method allowed to modify the source graph provably demonstrates considerable potential. This insight motivates us to explore UGDA from a data-centric perspective. By revisiting the theoretical generalization bound for UGDA, we identify two data-centric principles for UGDA: alignment principle and rescaling principle. Guided by these principles, we propose GraphAlign, a novel UGDA method that generates a small yet transferable graph. By exclusively training a GNN on this new graph with classic Empirical Risk Minimization (ERM), GraphAlign attains exceptional performance on the target graph. Extensive experiments under various transfer scenarios demonstrate the GraphAlign outperforms the best baselines by an average of 2.16%, training on the generated graph as small as 0.25~1% of the original training graph.

Graph Neural Networks (GNNs) have significantly advanced the field of drug discovery, enhancing the speed and efficiency of molecular identification. However, training these GNNs demands vast amounts of molecular data, which has spurred the emergence of collaborative model-sharing initiatives. These initiatives facilitate the sharing of molecular pre-trained models among organizations without exposing proprietary training data. Despite the benefits, these molecular pre-trained models may still pose privacy risks. For example, malicious adversaries could perform data extraction attack to recover private training data, thereby threatening commercial secrets and collaborative trust. This work, for the first time, explores the risks of extracting private training molecular data from molecular pre-trained models. This task is nontrivial as the molecular pre-trained models are non-generative and exhibit a diversity of model architectures, which differs significantly from language and image models. To address these issues, we introduce a molecule generation approach and propose a novel, model-independent scoring function for selecting promising molecules. To efficiently reduce the search space of potential molecules, we further introduce a Molecule Extraction Policy Network for molecule extraction. Our experiments demonstrate that even with only query access to molecular pre-trained models, there is a considerable risk of extracting training data, challenging the assumption that model sharing alone provides adequate protection against data extraction attacks. Our codes are publicly available at: \url{https://github.com/renH2/Molextract}.

Graph neural networks (GNNs) have attracted considerable attention due to their diverse applications. However, the scarcity and quality limitations of graph data present challenges to their training process in practical settings. To facilitate the development of effective GNNs, companies and researchers often seek external collaboration. Yet, directly sharing data raises privacy concerns, motivating data owners to train GNNs on their private graphs and share the trained models. Unfortunately, these models may still inadvertently disclose sensitive properties of their training graphs (\textit{e.g.}, average default rate in a transaction network), leading to severe consequences for data owners. In this work, we study graph property inference attack to identify the risk of sensitive property information leakage from shared models. Existing approaches typically train numerous shadow models for developing such attack, which is computationally intensive and impractical. To address this issue, we propose an efficient graph property inference attack by leveraging model approximation techniques. Our method only requires training a small set of models on graphs, while generating a sufficient number of approximated shadow models for attacks. To enhance diversity while reducing errors in the approximated models, we apply edit distance to quantify the diversity within a group of approximated models and introduce a theoretically guaranteed criterion to evaluate each model's error. Subsequently, we propose a novel selection mechanism to ensure that the retained approximated models achieve high diversity and low error. Extensive experiments across six real-world scenarios demonstrate our method's substantial improvement, with average increases of 2.7\% in attack accuracy and 4.1\% in ROC-AUC, while being 6.5$\times$ faster compared to the best baseline.

Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to the massive amount of input data. In this paper, however, we identify the curse of big data phenomenon in graph pre-training: more training data do not necessarily lead to better downstream performance. Motivated by this observation, we propose a better-with-less framework for graph pre-training: fewer, but carefully chosen data are fed into a GNN model to enhance pre-training. The proposed pre-training pipeline is called the data-active graph pre-training (APT) framework, and is composed of a graph selector and a pre-training model. The graph selector chooses the most representative and instructive data points based on the inherent properties of graphs as well as predictive uncertainty. The proposed predictive uncertainty, as feedback from the pre-training model, measures the confidence level of the model in the data. When fed with the chosen data, on the other hand, the pre-training model grasps an initial understanding of the new, unseen data, and at the same time attempts to remember the knowledge learned from previous data. Therefore, the integration and interaction between these two components form a unified framework (APT), in which graph pre-training is performed in a progressive and iterative way. Experiment results show that the proposed APT is able to obtain an efficient pre-training model with fewer training data and better downstream performance.

Graph neural networks (GNNs) have been intensively studied in various real-world tasks. However, the homophily assumption of GNNs' aggregation function limits their representation learning ability in heterophily graphs. In this paper, we shed light on the path level patterns in graphs that can explicitly reflect rich semantic and structural information. We therefore propose a novel Structure-aware Path Aggregation Graph Neural Network (PathNet) aiming to generalize GNNs for both homophily and heterophily graphs. Specifically, we first introduce a maximal entropy path sampler, which helps us sample a number of paths containing structural context. Then, we introduce a structure-aware recurrent cell consisting of order-preserving and distance-aware components to learn the semantic information of neighborhoods. Finally, we model the preference of different paths to target node after path encoding. Experimental results demonstrate that our model achieves superior performance in node classification on both heterophily and homophily graphs.