Subgraph matching, a cornerstone of relational pattern detection in domains ranging from biochemical systems to social network analysis, faces significant computational challenges due to the dramatically growing search space. Existing methods address this problem within a filtering-ordering-enumeration framework, in which the enumeration stage recursively matches the query graph against the candidate subgraphs of the data graph. However, the lack of awareness of subgraph structural patterns leads to a costly brute-force enumeration, thereby critically motivating the need for intelligent navigation in subgraph matching. To address this challenge, we propose Neural Graph Navigation (NeuGN), a neuro-heuristic framework that transforms brute-force enumeration into neural-guided search by integrating neural navigation mechanisms into the core enumeration process. By preserving heuristic-based completeness guarantees while incorporating neural intelligence, NeuGN significantly reduces the First Match Steps by up to 98.2% compared to state-of-the-art methods across six real-world datasets.

Human mobility prediction is crucial for applications ranging from location-based recommendations to urban planning, which aims to forecast users' next location visits based on historical trajectories. While existing mobility prediction models excel at capturing sequential patterns through diverse architectures for different scenarios, they are hindered by the long-tailed distribution of location visits, leading to biased predictions and limited applicability. This highlights the need for a solution that enhances the long-tailed prediction capabilities of these models with broad compatibility and efficiency across diverse architectures. To address this need, we propose the first architecture-agnostic plugin for long-tailed human mobility prediction, named \textbf{A}daptive \textbf{LO}cation \textbf{H}ier\textbf{A}rchy learning (ALOHA). Inspired by Maslow's theory of human motivation, we exploit and explore common mobility knowledge of head and tail locations derived from human mobility trajectories to effectively mitigate long-tailed bias. Specifically, we introduce an automatic pipeline to construct city-tailored location hierarchies based on Large Language Models (LLMs) and Chain-of-Thought (CoT) prompts, capturing high-level mobility semantics with minimal human verification. We further design an Adaptive Hierarchical Loss (AHL) that rebalances learning through Gumbel disturbance and node-wise adaptive weighting, enabling both exploitation of multi-level signals and exploration within semantically related groups. Extensive experiments across multiple state-of-the-art models demonstrate that ALOHA consistently improves long-tailed mobility prediction performance by up to 16.59\% while maintaining efficiency and robustness. Our code is at https://github.com/Star607/ALOHA.

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 public sharing of user information opens the door for adversaries to infer private data, leading to privacy breaches and facilitating malicious activities. While numerous studies have concentrated on privacy leakage via public user attributes, the threats associated with the exposure of user relationships, particularly through network structure, are often neglected. This study aims to fill this critical gap by advancing the understanding and protection against privacy risks emanating from network structure, moving beyond direct connections with neighbors to include the broader implications of indirect network structural patterns. To achieve this, we first investigate the problem of Graph Privacy Leakage via Structure (GPS), and introduce a novel measure, the Generalized Homophily Ratio, to quantify the various mechanisms contributing to privacy breach risks in GPS. Based on this insight, we develop a novel graph private attribute inference attack, which acts as a pivotal tool for evaluating the potential for privacy leakage through network structures under worst-case scenarios. To protect users' private data from such vulnerabilities, we propose a graph data publishing method incorporating a learnable graph sampling technique, effectively transforming the original graph into a privacy-preserving version. Extensive experiments demonstrate that our attack model poses a significant threat to user privacy, and our graph data publishing method successfully achieves the optimal privacy-utility trade-off compared to baselines.

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.