Yushun Dong

Yu Wang, Yuying Zhao, Yushun Dong et al.

Graph Neural Networks (GNNs) have shown great power in learning node representations on graphs. However, they may inherit historical prejudices from training data, leading to discriminatory bias in predictions. Although some work has developed fair GNNs, most of them directly borrow fair representation learning techniques from non-graph domains without considering the potential problem of sensitive attribute leakage caused by feature propagation in GNNs. However, we empirically observe that feature propagation could vary the correlation of previously innocuous non-sensitive features to the sensitive ones. This can be viewed as a leakage of sensitive information which could further exacerbate discrimination in predictions. Thus, we design two feature masking strategies according to feature correlations to highlight the importance of considering feature propagation and correlation variation in alleviating discrimination. Motivated by our analysis, we propose Fair View Graph Neural Network (FairVGNN) to generate fair views of features by automatically identifying and masking sensitive-correlated features considering correlation variation after feature propagation. Given the learned fair views, we adaptively clamp weights of the encoder to avoid using sensitive-related features. Experiments on real-world datasets demonstrate that FairVGNN enjoys a better trade-off between model utility and fairness. Our code is publicly available at https://github.com/YuWVandy/FairVGNN.

Yucheng Shi, Yushun Dong, Qiaoyu Tan et al.

Self-supervised learning with masked autoencoders has recently gained popularity for its ability to produce effective image or textual representations, which can be applied to various downstream tasks without retraining. However, we observe that the current masked autoencoder models lack good generalization ability on graph data. To tackle this issue, we propose a novel graph masked autoencoder framework called GiGaMAE. Different from existing masked autoencoders that learn node presentations by explicitly reconstructing the original graph components (e.g., features or edges), in this paper, we propose to collaboratively reconstruct informative and integrated latent embeddings. By considering embeddings encompassing graph topology and attribute information as reconstruction targets, our model could capture more generalized and comprehensive knowledge. Furthermore, we introduce a mutual information based reconstruction loss that enables the effective reconstruction of multiple targets. This learning objective allows us to differentiate between the exclusive knowledge learned from a single target and common knowledge shared by multiple targets. We evaluate our method on three downstream tasks with seven datasets as benchmarks. Extensive experiments demonstrate the superiority of GiGaMAE against state-of-the-art baselines. We hope our results will shed light on the design of foundation models on graph-structured data. Our code is available at: https://github.com/sycny/GiGaMAE.

Yushun Dong, Song Wang, Jing Ma et al.

Graph Neural Networks (GNNs) have emerged as the leading paradigm for solving graph analytical problems in various real-world applications. Nevertheless, GNNs could potentially render biased predictions towards certain demographic subgroups. Understanding how the bias in predictions arises is critical, as it guides the design of GNN debiasing mechanisms. However, most existing works overwhelmingly focus on GNN debiasing, but fall short on explaining how such bias is induced. In this paper, we study a novel problem of interpreting GNN unfairness through attributing it to the influence of training nodes. Specifically, we propose a novel strategy named Probabilistic Distribution Disparity (PDD) to measure the bias exhibited in GNNs, and develop an algorithm to efficiently estimate the influence of each training node on such bias. We verify the validity of PDD and the effectiveness of influence estimation through experiments on real-world datasets. Finally, we also demonstrate how the proposed framework could be used for debiasing GNNs. Open-source code can be found at https://github.com/yushundong/BIND.

Yushun Dong, Song Wang, Yu Wang et al.

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results against certain demographic subgroups. Some recent works have empirically shown that the biased structure of the input network is a significant source of bias for GNNs. Nevertheless, no studies have systematically scrutinized which part of the input network structure leads to biased predictions for any given node. The low transparency on how the structure of the input network influences the bias in GNN outcome largely limits the safe adoption of GNNs in various decision-critical scenarios. In this paper, we study a novel research problem of structural explanation of bias in GNNs. Specifically, we propose a novel post-hoc explanation framework to identify two edge sets that can maximally account for the exhibited bias and maximally contribute to the fairness level of the GNN prediction for any given node, respectively. Such explanations not only provide a comprehensive understanding of bias/fairness of GNN predictions but also have practical significance in building an effective yet fair GNN model. Extensive experiments on real-world datasets validate the effectiveness of the proposed framework towards delivering effective structural explanations for the bias of GNNs. Open-source code can be found at https://github.com/yushundong/REFEREE.

Zhixun Li, Yushun Dong, Qiang Liu et al.

Driven by the powerful representation ability of Graph Neural Networks (GNNs), plentiful GNN models have been widely deployed in many real-world applications. Nevertheless, due to distribution disparities between different demographic groups, fairness in high-stake decision-making systems is receiving increasing attention. Although lots of recent works devoted to improving the fairness of GNNs and achieved considerable success, they all require significant architectural changes or additional loss functions requiring more hyper-parameter tuning. Surprisingly, we find that simple re-balancing methods can easily match or surpass existing fair GNN methods. We claim that the imbalance across different demographic groups is a significant source of unfairness, resulting in imbalanced contributions from each group to the parameters updating. However, these simple re-balancing methods have their own shortcomings during training. In this paper, we propose FairGB, Fair Graph Neural Network via re-Balancing, which mitigates the unfairness of GNNs by group balancing. Technically, FairGB consists of two modules: counterfactual node mixup and contribution alignment loss. Firstly, we select counterfactual pairs across inter-domain and inter-class, and interpolate the ego-networks to generate new samples. Guided by analysis, we can reveal the debiasing mechanism of our model by the causal view and prove that our strategy can make sensitive attributes statistically independent from target labels. Secondly, we reweigh the contribution of each group according to gradients. By combining these two modules, they can mutually promote each other. Experimental results on benchmark datasets show that our method can achieve state-of-the-art results concerning both utility and fairness metrics. Code is available at https://github.com/ZhixunLEE/FairGB.

Yushun Dong, Jing Ma, Song Wang et al.

Graph mining algorithms have been playing a significant role in myriad fields over the years. However, despite their promising performance on various graph analytical tasks, most of these algorithms lack fairness considerations. As a consequence, they could lead to discrimination towards certain populations when exploited in human-centered applications. Recently, algorithmic fairness has been extensively studied in graph-based applications. In contrast to algorithmic fairness on independent and identically distributed (i.i.d.) data, fairness in graph mining has exclusive backgrounds, taxonomies, and fulfilling techniques. In this survey, we provide a comprehensive and up-to-date introduction of existing literature under the context of fair graph mining. Specifically, we propose a novel taxonomy of fairness notions on graphs, which sheds light on their connections and differences. We further present an organized summary of existing techniques that promote fairness in graph mining. Finally, we summarize the widely used datasets in this emerging research field and provide insights on current research challenges and open questions, aiming at encouraging cross-breeding ideas and further advances.

Lincan Li, Rikuto Kotoge, Xihao Piao et al.

Seizure detection from EEG signals is highly challenging due to complex spatiotemporal dynamics and extreme inter-patient variability. To model them, recent methods construct dynamic graphs via statistical correlations, predefined similarity measures, or implicit learning, yet rarely account for EEG's noisy nature. Consequently, these graphs usually contain redundant or task-irrelevant connections, undermining model performance even with state-of-the-art architectures. In this paper, we present a new perspective for EEG seizure detection: jointly learning denoised dynamic graph structures and informative spatial-temporal representations guided by the Information Bottleneck (IB). Unlike prior approaches, our graph constructor explicitly accounts for the noisy characteristics of EEG data, producing compact and reliable connectivity patterns that better support downstream seizure detection. To further enhance representation learning, we employ a self-supervised Graph Masked AutoEncoder that reconstructs masked EEG signals based on dynamic graph context, promoting structure-aware and compact representations aligned with the IB principle. Bringing things together, we introduce Information Bottleneck-guided EEG SeizuRE DetectioN via SElf-Supervised Learning (IRENE), which explicitly learns dynamic graph structures and interpretable spatial-temporal EEG representations. IRENE addresses three core challenges: (i) Identifying the most informative nodes and edges; (ii) Explaining seizure propagation in the brain network; and (iii) Enhancing robustness against label scarcity and inter-patient variability. Extensive experiments on benchmark EEG datasets demonstrate that our method outperforms state-of-the-art baselines in seizure detection and provides clinically meaningful insights into seizure dynamics. The source code is available at https://github.com/LabRAI/IRENE.

Xingbo Fu, Binchi Zhang, Yushun Dong et al.

Graph machine learning has gained great attention in both academia and industry recently. Most of the graph machine learning models, such as Graph Neural Networks (GNNs), are trained over massive graph data. However, in many real-world scenarios, such as hospitalization prediction in healthcare systems, the graph data is usually stored at multiple data owners and cannot be directly accessed by any other parties due to privacy concerns and regulation restrictions. Federated Graph Machine Learning (FGML) is a promising solution to tackle this challenge by training graph machine learning models in a federated manner. In this survey, we conduct a comprehensive review of the literature in FGML. Specifically, we first provide a new taxonomy to divide the existing problems in FGML into two settings, namely, FL with structured data and structured FL. Then, we review the mainstream techniques in each setting and elaborate on how they address the challenges under FGML. In addition, we summarize the real-world applications of FGML from different domains and introduce open graph datasets and platforms adopted in FGML. Finally, we present several limitations in the existing studies with promising research directions in this field.

Song Wang, Yushun Dong, Kaize Ding et al.

Few-shot node classification aims at classifying nodes with limited labeled nodes as references. Recent few-shot node classification methods typically learn from classes with abundant labeled nodes (i.e., meta-training classes) and then generalize to classes with limited labeled nodes (i.e., meta-test classes). Nevertheless, on real-world graphs, it is usually difficult to obtain abundant labeled nodes for many classes. In practice, each meta-training class can only consist of several labeled nodes, known as the extremely weak supervision problem. In few-shot node classification, with extremely limited labeled nodes for meta-training, the generalization gap between meta-training and meta-test will become larger and thus lead to suboptimal performance. To tackle this issue, we study a novel problem of few-shot node classification with extremely weak supervision and propose a principled framework X-FNC under the prevalent meta-learning framework. Specifically, our goal is to accumulate meta-knowledge across different meta-training tasks with extremely weak supervision and generalize such knowledge to meta-test tasks. To address the challenges resulting from extremely scarce labeled nodes, we propose two essential modules to obtain pseudo-labeled nodes as extra references and effectively learn from extremely limited supervision information. We further conduct extensive experiments on four node classification datasets with extremely weak supervision to validate the superiority of our framework compared to the state-of-the-art baselines.

Binchi Zhang, Yushun Dong, Tianhao Wang et al.

In the field of machine unlearning, certified unlearning has been extensively studied in convex machine learning models due to its high efficiency and strong theoretical guarantees. However, its application to deep neural networks (DNNs), known for their highly nonconvex nature, still poses challenges. To bridge the gap between certified unlearning and DNNs, we propose several simple techniques to extend certified unlearning methods to nonconvex objectives. To reduce the time complexity, we develop an efficient computation method by inverse Hessian approximation without compromising certification guarantees. In addition, we extend our discussion of certification to nonconvergence training and sequential unlearning, considering that real-world users can send unlearning requests at different time points. Extensive experiments on three real-world datasets demonstrate the efficacy of our method and the advantages of certified unlearning in DNNs.

Song Wang, Yushun Dong, Xiao Huang et al.

Few-shot graph classification aims at predicting classes for graphs, given limited labeled graphs for each class. To tackle the bottleneck of label scarcity, recent works propose to incorporate few-shot learning frameworks for fast adaptations to graph classes with limited labeled graphs. Specifically, these works propose to accumulate meta-knowledge across diverse meta-training tasks, and then generalize such meta-knowledge to the target task with a disjoint label set. However, existing methods generally ignore task correlations among meta-training tasks while treating them independently. Nevertheless, such task correlations can advance the model generalization to the target task for better classification performance. On the other hand, it remains non-trivial to utilize task correlations due to the complex components in a large number of meta-training tasks. To deal with this, we propose a novel few-shot learning framework FAITH that captures task correlations via constructing a hierarchical task graph at different granularities. Then we further design a loss-based sampling strategy to select tasks with more correlated classes. Moreover, a task-specific classifier is proposed to utilize the learned task correlations for few-shot classification. Extensive experiments on four prevalent few-shot graph classification datasets demonstrate the superiority of FAITH over other state-of-the-art baselines.

Zheng Huang, Jing Ma, Yushun Dong et al.

With the wide adoption of mobile devices and web applications, location-based social networks (LBSNs) offer large-scale individual-level location-related activities and experiences. Next point-of-interest (POI) recommendation is one of the most important tasks in LBSNs, aiming to make personalized recommendations of next suitable locations to users by discovering preferences from users' historical activities. Noticeably, LBSNs have offered unparalleled access to abundant heterogeneous relational information about users and POIs (including user-user social relations, such as families or colleagues; and user-POI visiting relations). Such relational information holds great potential to facilitate the next POI recommendation. However, most existing methods either focus on merely the user-POI visits, or handle different relations based on over-simplified assumptions while neglecting relational heterogeneities. To fill these critical voids, we propose a novel framework, MEMO, which effectively utilizes the heterogeneous relations with a multi-network representation learning module, and explicitly incorporates the inter-temporal user-POI mutual influence with the coupled recurrent neural networks. Extensive experiments on real-world LBSN data validate the superiority of our framework over the state-of-the-art next POI recommendation methods.

Yushun Dong, Binchi Zhang, Zhenyu Lei et al.

Graph Neural Networks (GNNs) have been increasingly deployed in a plethora of applications. However, the graph data used for training may contain sensitive personal information of the involved individuals. Once trained, GNNs typically encode such information in their learnable parameters. As a consequence, privacy leakage may happen when the trained GNNs are deployed and exposed to potential attackers. Facing such a threat, machine unlearning for GNNs has become an emerging technique that aims to remove certain personal information from a trained GNN. Among these techniques, certified unlearning stands out, as it provides a solid theoretical guarantee of the information removal effectiveness. Nevertheless, most of the existing certified unlearning methods for GNNs are only designed to handle node and edge unlearning requests. Meanwhile, these approaches are usually tailored for either a specific design of GNN or a specially designed training objective. These disadvantages significantly jeopardize their flexibility. In this paper, we propose a principled framework named IDEA to achieve flexible and certified unlearning for GNNs. Specifically, we first instantiate four types of unlearning requests on graphs, and then we propose an approximation approach to flexibly handle these unlearning requests over diverse GNNs. We further provide theoretical guarantee of the effectiveness for the proposed approach as a certification. Different from existing alternatives, IDEA is not designed for any specific GNNs or optimization objectives to perform certified unlearning, and thus can be easily generalized. Extensive experiments on real-world datasets demonstrate the superiority of IDEA in multiple key perspectives.

Yushun Dong, Binchi Zhang, Yiling Yuan et al.

Graph Neural Networks (GNNs) have shown satisfying performance on various graph learning tasks. To achieve better fitting capability, most GNNs are with a large number of parameters, which makes these GNNs computationally expensive. Therefore, it is difficult to deploy them onto edge devices with scarce computational resources, e.g., mobile phones and wearable smart devices. Knowledge Distillation (KD) is a common solution to compress GNNs, where a light-weighted model (i.e., the student model) is encouraged to mimic the behavior of a computationally expensive GNN (i.e., the teacher GNN model). Nevertheless, most existing GNN-based KD methods lack fairness consideration. As a consequence, the student model usually inherits and even exaggerates the bias from the teacher GNN. To handle such a problem, we take initial steps towards fair knowledge distillation for GNNs. Specifically, we first formulate a novel problem of fair knowledge distillation for GNN-based teacher-student frameworks. Then we propose a principled framework named RELIANT to mitigate the bias exhibited by the student model. Notably, the design of RELIANT is decoupled from any specific teacher and student model structures, and thus can be easily adapted to various GNN-based KD frameworks. We perform extensive experiments on multiple real-world datasets, which corroborates that RELIANT achieves less biased GNN knowledge distillation while maintaining high prediction utility.

Binchi Zhang, Yushun Dong, Chen Chen et al.

Fairness-aware graph neural networks (GNNs) have gained a surge of attention as they can reduce the bias of predictions on any demographic group (e.g., female) in graph-based applications. Although these methods greatly improve the algorithmic fairness of GNNs, the fairness can be easily corrupted by carefully designed adversarial attacks. In this paper, we investigate the problem of adversarial attacks on fairness of GNNs and propose G-FairAttack, a general framework for attacking various types of fairness-aware GNNs in terms of fairness with an unnoticeable effect on prediction utility. In addition, we propose a fast computation technique to reduce the time complexity of G-FairAttack. The experimental study demonstrates that G-FairAttack successfully corrupts the fairness of different types of GNNs while keeping the attack unnoticeable. Our study on fairness attacks sheds light on potential vulnerabilities in fairness-aware GNNs and guides further research on the robustness of GNNs in terms of fairness.

Yushun Dong, Binchi Zhang, Hanghang Tong et al.

Graph Neural Networks (GNNs) have emerged as a prominent graph learning model in various graph-based tasks over the years. Nevertheless, due to the vulnerabilities of GNNs, it has been empirically shown that malicious attackers could easily corrupt the fairness level of their predictions by adding perturbations to the input graph data. In this paper, we take crucial steps to study a novel problem of certifiable defense on the fairness level of GNNs. Specifically, we propose a principled framework named ELEGANT and present a detailed theoretical certification analysis for the fairness of GNNs. ELEGANT takes {\em any} GNN as its backbone, and the fairness level of such a backbone is theoretically impossible to be corrupted under certain perturbation budgets for attackers. Notably, ELEGANT does not make any assumptions over the GNN structure or parameters, and does not require re-training the GNNs to realize certification. Hence it can serve as a plug-and-play framework for any optimized GNNs ready to be deployed. We verify the satisfactory effectiveness of ELEGANT in practice through extensive experiments on real-world datasets across different backbones of GNNs and parameter settings.

Sihan Chen, Zhuangzhuang Qian, Wingchun Siu et al.

Outlier detection (OD), also known as anomaly detection, is a critical machine learning (ML) task with applications in fraud detection, network intrusion detection, clickstream analysis, recommendation systems, and social network moderation. Among open-source libraries for outlier detection, the Python Outlier Detection (PyOD) library is the most widely adopted, with over 8,500 GitHub stars, 25 million downloads, and diverse industry usage. However, PyOD currently faces three limitations: (1) insufficient coverage of modern deep learning algorithms, (2) fragmented implementations across PyTorch and TensorFlow, and (3) no automated model selection, making it hard for non-experts. To address these issues, we present PyOD Version 2 (PyOD 2), which integrates 12 state-of-the-art deep learning models into a unified PyTorch framework and introduces a large language model (LLM)-based pipeline for automated OD model selection. These improvements simplify OD workflows, provide access to 45 algorithms, and deliver robust performance on various datasets. In this paper, we demonstrate how PyOD 2 streamlines the deployment and automation of OD models and sets a new standard in both research and industry. PyOD 2 is accessible at [https://github.com/yzhao062/pyod](https://github.com/yzhao062/pyod). This study aligns with the Web Mining and Content Analysis track, addressing topics such as the robustness of Web mining methods and the quality of algorithmically-generated Web data.

Kaixiang Zhao, Lincan Li, Kaize Ding et al.

Machine learning (ML) models have significantly grown in complexity and utility, driving advances across multiple domains. However, substantial computational resources and specialized expertise have historically restricted their wide adoption. Machine-Learning-as-a-Service (MLaaS) platforms have addressed these barriers by providing scalable, convenient, and affordable access to sophisticated ML models through user-friendly APIs. While this accessibility promotes widespread use of advanced ML capabilities, it also introduces vulnerabilities exploited through Model Extraction Attacks (MEAs). Recent studies have demonstrated that adversaries can systematically replicate a target model's functionality by interacting with publicly exposed interfaces, posing threats to intellectual property, privacy, and system security. In this paper, we offer a comprehensive survey of MEAs and corresponding defense strategies. We propose a novel taxonomy that classifies MEAs according to attack mechanisms, defense approaches, and computing environments. Our analysis covers various attack techniques, evaluates their effectiveness, and highlights challenges faced by existing defenses, particularly the critical trade-off between preserving model utility and ensuring security. We further assess MEAs within different computing paradigms and discuss their technical, ethical, legal, and societal implications, along with promising directions for future research. This systematic survey aims to serve as a valuable reference for researchers, practitioners, and policymakers engaged in AI security and privacy. Additionally, we maintain an online repository continuously updated with related literature at https://github.com/kzhao5/ModelExtractionPapers.

Xueqi Cheng, Minxing Zheng, Shixiang Zhu et al.

Model extraction attacks aim to replicate the functionality of a black-box model through query access, threatening the intellectual property (IP) of machine-learning-as-a-service (MLaaS) providers. Defending against such attacks is challenging, as it must balance efficiency, robustness, and utility preservation in the real-world scenario. Despite the recent advances, most existing defenses presume that attacker queries have out-of-distribution (OOD) samples, enabling them to detect and disrupt suspicious inputs. However, this assumption is increasingly unreliable, as modern models are trained on diverse datasets and attackers often operate under limited query budgets. As a result, the effectiveness of these defenses is significantly compromised in realistic deployment scenarios. To address this gap, we propose MISLEADER (enseMbles of dIStiLled modEls Against moDel ExtRaction), a novel defense strategy that does not rely on OOD assumptions. MISLEADER formulates model protection as a bilevel optimization problem that simultaneously preserves predictive fidelity on benign inputs and reduces extractability by potential clone models. Our framework combines data augmentation to simulate attacker queries with an ensemble of heterogeneous distilled models to improve robustness and diversity. We further provide a tractable approximation algorithm and derive theoretical error bounds to characterize defense effectiveness. Extensive experiments across various settings validate the utility-preserving and extraction-resistant properties of our proposed defense strategy. Our code is available at https://github.com/LabRAI/MISLEADER.

Zhenyu Lei, Patrick Soga, Yaochen Zhu et al.

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating structural representations (e.g., SMILES strings, molecular graphs) with rich contextual descriptions (e.g., physicochemical properties). However, MoLMs can encode and propagate inaccuracies due to outdated web-mined training corpora or malicious manipulation, jeopardizing downstream discovery pipelines. While knowledge editing has been explored for general-domain AI, its application to MoLMs remains uncharted, presenting unique challenges due to the multifaceted and interdependent nature of molecular knowledge. In this paper, we take the first step toward MoLM editing for two critical tasks: molecule-to-caption generation and caption-to-molecule generation. To address molecule-specific challenges, we propose MolEdit, a powerful framework that enables targeted modifications while preserving unrelated molecular knowledge. MolEdit combines a Multi-Expert Knowledge Adapter that routes edits to specialized experts for different molecular facets with an Expertise-Aware Editing Switcher that activates the adapters only when input closely matches the stored edits across all expertise, minimizing interference with unrelated knowledge. To systematically evaluate editing performance, we introduce MEBench, a comprehensive benchmark assessing multiple dimensions, including Reliability (accuracy of the editing), Locality (preservation of irrelevant knowledge), and Generality (robustness to reformed queries). Across extensive experiments on two popular MoLM backbones, MolEdit delivers up to 18.8% higher Reliability and 12.0% better Locality than baselines while maintaining efficiency. The code is available at: https://github.com/LzyFischer/MolEdit.

Haoyan Xu, Ruizhi Qian, Jiate Li et al.

Graph machine learning has advanced rapidly in tasks such as link prediction, anomaly detection, and node classification. As models scale up, pretrained graph models have become valuable intellectual assets because they encode extensive computation and domain expertise. Building on these advances, Graph Foundation Models (GFMs) mark a major step forward by jointly pretraining graph and text encoders on massive and diverse data. This unifies structural and semantic understanding, enables zero-shot inference, and supports applications such as fraud detection and biomedical analysis. However, the high pretraining cost and broad cross-domain knowledge in GFMs also make them attractive targets for model extraction attacks (MEAs). Prior work has focused only on small graph neural networks trained on a single graph, leaving the security implications for large-scale and multimodal GFMs largely unexplored. This paper presents the first systematic study of MEAs against GFMs. We formalize a black-box threat model and define six practical attack scenarios covering domain-level and graph-specific extraction goals, architectural mismatch, limited query budgets, partial node access, and training data discrepancies. To instantiate these attacks, we introduce a lightweight extraction method that trains an attacker encoder using supervised regression of graph embeddings. Even without contrastive pretraining data, this method learns an encoder that stays aligned with the victim text encoder and preserves its zero-shot inference ability on unseen graphs. Experiments on seven datasets show that the attacker can approximate the victim model using only a tiny fraction of its original training cost, with almost no loss in accuracy. These findings reveal that GFMs greatly expand the MEA surface and highlight the need for deployment-aware security defenses in large-scale graph learning systems.

Kaixiang Zhao, Joseph Yousry Attalla, Qian Lou et al.

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in various graph-based learning tasks. However, enabling privacy-preserving GNNs in encrypted domains, such as under Fully Homomorphic Encryption (FHE), typically incurs substantial computational overhead, rendering real-time and privacy-preserving inference impractical. In this work, we propose DESIGN (EncrypteD GNN Inference via sErver-Side Input Graph pruNing), a novel framework for efficient encrypted GNN inference. DESIGN tackles the critical efficiency limitations of existing FHE GNN approaches, which often overlook input data redundancy and apply uniform computational strategies. Our framework achieves significant performance gains through a hierarchical optimization strategy executed entirely on the server: first, FHE-compatible node importance scores (based on encrypted degree statistics) are computed from the encrypted graph. These scores then guide a homomorphic partitioning process, generating multi-level importance masks directly under FHE. This dynamically generated mask facilitates both input graph pruning (by logically removing unimportant elements) and a novel adaptive polynomial activation scheme, where activation complexity is tailored to node importance levels. Empirical evaluations demonstrate that DESIGN substantially accelerates FHE GNN inference compared to state-of-the-art methods while maintaining competitive model accuracy, presenting a robust solution for secure graph analytics. Our implementation is publicly available at https://github.com/LabRAI/DESIGN.

Song Wang, Zhenyu Lei, Zhen Tan et al.

Functional Magnetic Resonance Image (fMRI) is commonly employed to study human brain activity, since it offers insight into the relationship between functional fluctuations and human behavior. To enhance analysis and comprehension of brain activity, Graph Neural Networks (GNNs) have been widely applied to the analysis of functional connectivities (FC) derived from fMRI data, due to their ability to capture the synergistic interactions among brain regions. However, in the human brain, performing complex tasks typically involves the activation of certain pathways, which could be represented as paths across graphs. As such, conventional GNNs struggle to learn from these pathways due to the long-range dependencies of multiple pathways. To address these challenges, we introduce a novel framework BrainMAP to learn Multiple Activation Pathways in Brain networks. BrainMAP leverages sequential models to identify long-range correlations among sequentialized brain regions and incorporates an aggregation module based on Mixture of Experts (MoE) to learn from multiple pathways. Our comprehensive experiments highlight BrainMAP's superior performance. Furthermore, our framework enables explanatory analyses of crucial brain regions involved in tasks. Our code is provided at https://github.com/LzyFischer/Graph-Mamba.

Yushun Dong, Ninghao Liu, Brian Jalaian et al.

Graph Neural Networks (GNNs) have shown superior performance in analyzing attributed networks in various web-based applications such as social recommendation and web search. Nevertheless, in high-stake decision-making scenarios such as online fraud detection, there is an increasing societal concern that GNNs could make discriminatory decisions towards certain demographic groups. Despite recent explorations on fair GNNs, these works are tailored for a specific GNN model. However, myriads of GNN variants have been proposed for different applications, and it is costly to fine-tune existing debiasing algorithms for each specific GNN architecture. Different from existing works that debias GNN models, we aim to debias the input attributed network to achieve fairer GNNs through feeding GNNs with less biased data. Specifically, we propose novel definitions and metrics to measure the bias in an attributed network, which leads to the optimization objective to mitigate bias. We then develop a framework EDITS to mitigate the bias in attributed networks while maintaining the performance of GNNs in downstream tasks. EDITS works in a model-agnostic manner, i.e., it is independent of any specific GNN. Experiments demonstrate the validity of the proposed bias metrics and the superiority of EDITS on both bias mitigation and utility maintenance. Open-source implementation: https://github.com/yushundong/EDITS.

Yushun Dong, Kaize Ding, Brian Jalaian et al.

Graph Neural Networks have recently become a prevailing paradigm for various high-impact graph analytical problems. Existing efforts can be mainly categorized as spectral-based and spatial-based methods. The major challenge for the former is to find an appropriate graph filter to distill discriminative information from input signals for learning. Recently, myriads of explorations are made to achieve better graph filters, e.g., Graph Convolutional Network (GCN), which leverages Chebyshev polynomial truncation to seek an approximation of graph filters and bridge these two families of methods. Nevertheless, it has been shown in recent studies that GCN and its variants are essentially employing fixed low-pass filters to perform information denoising. Thus their learning capability is rather limited and may over-smooth node representations at deeper layers. To tackle these problems, we develop a novel graph neural network framework AdaGNN with a well-designed adaptive frequency response filter. At its core, AdaGNN leverages a simple but elegant trainable filter that spans across multiple layers to capture the varying importance of different frequency components for node representation learning. The inherent differences among different feature channels are also well captured by the filter. As such, it empowers AdaGNN with stronger expressiveness and naturally alleviates the over-smoothing problem. We empirically validate the effectiveness of the proposed framework on various benchmark datasets. Theoretical analysis is also provided to show the superiority of the proposed AdaGNN. The open-source implementation of AdaGNN can be found here: https://github.com/yushundong/AdaGNN.

Lincan Li, Jiaqi Li, Catherine Chen et al.

In recent years, large language models (LLMs) have been widely adopted in political science tasks such as election prediction, sentiment analysis, policy impact assessment, and misinformation detection. Meanwhile, the need to systematically understand how LLMs can further revolutionize the field also becomes urgent. In this work, we--a multidisciplinary team of researchers spanning computer science and political science--present the first principled framework termed Political-LLM to advance the comprehensive understanding of integrating LLMs into computational political science. Specifically, we first introduce a fundamental taxonomy classifying the existing explorations into two perspectives: political science and computational methodologies. In particular, from the political science perspective, we highlight the role of LLMs in automating predictive and generative tasks, simulating behavior dynamics, and improving causal inference through tools like counterfactual generation; from a computational perspective, we introduce advancements in data preparation, fine-tuning, and evaluation methods for LLMs that are tailored to political contexts. We identify key challenges and future directions, emphasizing the development of domain-specific datasets, addressing issues of bias and fairness, incorporating human expertise, and redefining evaluation criteria to align with the unique requirements of computational political science. Political-LLM seeks to serve as a guidebook for researchers to foster an informed, ethical, and impactful use of Artificial Intelligence in political science. Our online resource is available at: http://political-llm.org/.

Song Wang, Yushun Dong, Binchi Zhang et al.

Graph Machine Learning (Graph ML) has witnessed substantial advancements in recent years. With their remarkable ability to process graph-structured data, Graph ML techniques have been extensively utilized across diverse applications, including critical domains like finance, healthcare, and transportation. Despite their societal benefits, recent research highlights significant safety concerns associated with the widespread use of Graph ML models. Lacking safety-focused designs, these models can produce unreliable predictions, demonstrate poor generalizability, and compromise data confidentiality. In high-stakes scenarios such as financial fraud detection, these vulnerabilities could jeopardize both individuals and society at large. Therefore, it is imperative to prioritize the development of safety-oriented Graph ML models to mitigate these risks and enhance public confidence in their applications. In this survey paper, we explore three critical aspects vital for enhancing safety in Graph ML: reliability, generalizability, and confidentiality. We categorize and analyze threats to each aspect under three headings: model threats, data threats, and attack threats. This novel taxonomy guides our review of effective strategies to protect against these threats. Our systematic review lays a groundwork for future research aimed at developing practical, safety-centered Graph ML models. Furthermore, we highlight the significance of safe Graph ML practices and suggest promising avenues for further investigation in this crucial area.

Kaixiang Zhao, Lincan Li, Kaize Ding et al.

Model Extraction Attacks (MEAs) threaten modern machine learning systems by enabling adversaries to steal models, exposing intellectual property and training data. With the increasing deployment of machine learning models in distributed computing environments, including cloud, edge, and federated learning settings, each paradigm introduces distinct vulnerabilities and challenges. Without a unified perspective on MEAs across these distributed environments, organizations risk fragmented defenses, inadequate risk assessments, and substantial economic and privacy losses. This survey is motivated by the urgent need to understand how the unique characteristics of cloud, edge, and federated deployments shape attack vectors and defense requirements. We systematically examine the evolution of attack methodologies and defense mechanisms across these environments, demonstrating how environmental factors influence security strategies in critical sectors such as autonomous vehicles, healthcare, and financial services. By synthesizing recent advances in MEAs research and discussing the limitations of current evaluation practices, this survey provides essential insights for developing robust and adaptive defense strategies. Our comprehensive approach highlights the importance of integrating protective measures across the entire distributed computing landscape to ensure the secure deployment of machine learning models.

Xiaopeng Yuan, Xingjian Zhang, Ke Xu et al.

Large language models (LLMs) are increasingly used for tasks that require complex reasoning. Most benchmarks focus on final outcomes but overlook the intermediate reasoning steps - such as planning, revision, and decision making under resource constraints. We argue that measuring these internal processes is essential for understanding model behavior and improving reliability. We propose using strategic games as a natural evaluation environment: closed, rule-based systems with clear states, limited resources, and automatic feedback. We introduce a framework that evaluates LLMs along three core dimensions: planning, revision, and resource-constrained decision making. To operationalize this, we define metrics beyond win rate, including overcorrection risk rate, correction success rate, improvement slope, and over-budget ratio. In 4320 adversarial rounds across 12 leading models, ChatGPT-o3-mini achieves the top composite score, with a win rate of 74.7 percent, a correction success rate of 78.6 percent, and an improvement slope of 0.041. By contrast, Qwen-Plus, despite an overcorrection risk rate of 81.6 percent, wins only 25.6 percent of its matches - primarily due to excessive resource use. We also observe a negative correlation between overcorrection risk rate and correction success rate (Pearson r = -0.51, p = 0.093), suggesting that more frequent edits do not always improve outcomes. Our findings highlight the value of assessing not only what LLMs decide but how they arrive at those decisions

Zhan Cheng, Bolin Shen, Tianming Sha et al.

Graph Neural Networks (GNNs) have gained traction in Graph-based Machine Learning as a Service (GMLaaS) platforms, yet they remain vulnerable to graph-based model extraction attacks (MEAs), where adversaries reconstruct surrogate models by querying the victim model. Existing defense mechanisms, such as watermarking and fingerprinting, suffer from poor real-time performance, susceptibility to evasion, or reliance on post-attack verification, making them inadequate for handling the dynamic characteristics of graph-based MEA variants. To address these limitations, we propose ATOM, a novel real-time MEA detection framework tailored for GNNs. ATOM integrates sequential modeling and reinforcement learning to dynamically detect evolving attack patterns, while leveraging $k$-core embedding to capture the structural properties, enhancing detection precision. Furthermore, we provide theoretical analysis to characterize query behaviors and optimize detection strategies. Extensive experiments on multiple real-world datasets demonstrate that ATOM outperforms existing approaches in detection performance, maintaining stable across different time steps, thereby offering a more effective defense mechanism for GMLaaS environments.

Kaixiang Zhao, Lincan Li, Kaize Ding et al.

Model extraction attacks pose significant security threats to deployed language models, potentially compromising intellectual property and user privacy. This survey provides a comprehensive taxonomy of LLM-specific extraction attacks and defenses, categorizing attacks into functionality extraction, training data extraction, and prompt-targeted attacks. We analyze various attack methodologies including API-based knowledge distillation, direct querying, parameter recovery, and prompt stealing techniques that exploit transformer architectures. We then examine defense mechanisms organized into model protection, data privacy protection, and prompt-targeted strategies, evaluating their effectiveness across different deployment scenarios. We propose specialized metrics for evaluating both attack effectiveness and defense performance, addressing the specific challenges of generative language models. Through our analysis, we identify critical limitations in current approaches and propose promising research directions, including integrated attack methodologies and adaptive defense mechanisms that balance security with model utility. This work serves NLP researchers, ML engineers, and security professionals seeking to protect language models in production environments.

Zhenyu Lei, Yushun Dong, Jundong Li et al.

Spatial-temporal graphs are widely used in a variety of real-world applications. Spatial-Temporal Graph Neural Networks (STGNNs) have emerged as a powerful tool to extract meaningful insights from this data. However, in real-world applications, most nodes may not possess any available temporal data during training. For example, the pandemic dynamics of most cities on a geographical graph may not be available due to the asynchronous nature of outbreaks. Such a phenomenon disagrees with the training requirements of most existing spatial-temporal forecasting methods, which jeopardizes their effectiveness and thus blocks broader deployment. In this paper, we propose to formulate a novel problem of inductive forecasting with limited training data. In particular, given a spatial-temporal graph, we aim to learn a spatial-temporal forecasting model that can be easily generalized onto those nodes without any available temporal training data. To handle this problem, we propose a principled framework named ST-FiT. ST-FiT consists of two key learning components: temporal data augmentation and spatial graph topology learning. With such a design, ST-FiT can be used on top of any existing STGNNs to achieve superior performance on the nodes without training data. Extensive experiments verify the effectiveness of ST-FiT in multiple key perspectives.

Xingbo Fu, Song Wang, Yushun Dong et al.

Federated Graph Learning (FGL) is tasked with training machine learning models, such as Graph Neural Networks (GNNs), for multiple clients, each with its own graph data. Existing methods usually assume that each client has both node features and graph structure of its graph data. In real-world scenarios, however, there exist federated systems where only a part of the clients have such data while other clients (i.e. graphless clients) may only have node features. This naturally leads to a novel problem in FGL: how to jointly train a model over distributed graph data with graphless clients? In this paper, we propose a novel framework FedGLS to tackle the problem in FGL with graphless clients. In FedGLS, we devise a local graph learner on each graphless client which learns the local graph structure with the structure knowledge transferred from other clients. To enable structure knowledge transfer, we design a GNN model and a feature encoder on each client. During local training, the feature encoder retains the local graph structure knowledge together with the GNN model via knowledge distillation, and the structure knowledge is transferred among clients in global update. Our extensive experiments demonstrate the superiority of the proposed FedGLS over five baselines.

Haoyan Xu, Zhengtao Yao, Xuzhi Zhang et al.

Out-of-distribution (OOD) detection is critical for ensuring the safety and reliability of machine learning systems, particularly in dynamic and open-world environments. In the vision and text domains, zero-shot OOD detection - which requires no training on in-distribution (ID) data - has advanced significantly through the use of large-scale pretrained models, such as vision-language models (VLMs) and large language models (LLMs). However, zero-shot OOD detection in graph-structured data remains largely unexplored, primarily due to the challenges posed by complex relational structures and the absence of powerful, large-scale pretrained models for graphs. In this work, we take the first step toward enabling zero-shot graph OOD detection by leveraging a graph foundation model (GFM). Our experiments show that, when provided only with class label names for both ID and OOD categories, the GFM can effectively perform OOD detection - often surpassing existing "supervised" OOD detection methods that rely on extensive labeled node data. We further address the practical scenario in which OOD label names are not available in real-world settings by introducing GLIP-OOD, a framework that uses LLMs to generate semantically informative pseudo-OOD labels from unlabeled data. These generated OOD labels allow the GFM to better separate ID and OOD classes, facilitating more precise OOD detection - all without any labeled nodes (only ID label names). To our knowledge, this is the first approach to achieve node-level graph OOD detection in a fully zero-shot setting, and it attains performance comparable to state-of-the-art supervised methods on four benchmark text-attributed graph datasets.

Lincan Li, Eren Erman Ozguven, Yue Zhao et al.

Accurate typhoon track forecasting is crucial for early system warning and disaster response. While Transformer-based models have demonstrated strong performance in modeling the temporal dynamics of dense trajectories of humans and vehicles in smart cities, they usually lack access to broader contextual knowledge that enhances the forecasting reliability of sparse meteorological trajectories, such as typhoon tracks. To address this challenge, we propose TyphoFormer, a novel framework that incorporates natural language descriptions as auxiliary prompts to improve typhoon trajectory forecasting. For each time step, we use Large Language Model (LLM) to generate concise textual descriptions based on the numerical attributes recorded in the North Atlantic hurricane database. The language descriptions capture high-level meteorological semantics and are embedded as auxiliary special tokens prepended to the numerical time series input. By integrating both textual and sequential information within a unified Transformer encoder, TyphoFormer enables the model to leverage contextual cues that are otherwise inaccessible through numerical features alone. Extensive experiments are conducted on HURDAT2 benchmark, results show that TyphoFormer consistently outperforms other state-of-the-art baseline methods, particularly under challenging scenarios involving nonlinear path shifts and limited historical observations.

Zihan Chen, Xingbo Fu, Yushun Dong et al.

Federated Graph Learning (FGL) empowers clients to collaboratively train Graph neural networks (GNNs) in a distributed manner while preserving data privacy. However, FGL methods usually require that the graph data owned by all clients is homophilic to ensure similar neighbor distribution patterns of nodes. Such an assumption ensures that the learned knowledge is consistent across the local models from all clients. Therefore, these local models can be properly aggregated as a global model without undermining the overall performance. Nevertheless, when the neighbor distribution patterns of nodes vary across different clients (e.g., when clients hold graphs with different levels of heterophily), their local models may gain different and even conflict knowledge from their node-level predictive tasks. Consequently, aggregating these local models usually leads to catastrophic performance deterioration on the global model. To address this challenge, we propose FedHERO, an FGL framework designed to harness and share insights from heterophilic graphs effectively. At the heart of FedHERO is a dual-channel GNN equipped with a structure learner, engineered to discern the structural knowledge encoded in the local graphs. With this specialized component, FedHERO enables the local model for each client to identify and learn patterns that are universally applicable across graphs with different patterns of node neighbor distributions. FedHERO not only enhances the performance of individual client models by leveraging both local and shared structural insights but also sets a new precedent in this field to effectively handle graph data with various node neighbor distribution patterns. We conduct extensive experiments to validate the superior performance of FedHERO against existing alternatives.

Rikuto Kotoge, Ziwei Yang, Zheng Chen et al.

Retrieving targeted pathways in biological knowledge bases, particularly when incorporating wet-lab experimental data, remains a challenging task and often requires downstream analyses and specialized expertise. In this paper, we frame this challenge as a solvable graph learning and explaining task and propose a novel subgraph inference framework, ExPAth, that explicitly integrates experimental data to classify various graphs (bio-networks) in biological databases. The links (representing pathways) that contribute more to classification can be considered as targeted pathways. Our framework can seamlessly integrate biological foundation models to encode the experimental molecular data. We propose ML-oriented biological evaluations and a new metric. The experiments involving 301 bio-networks evaluations demonstrate that pathways inferred by ExPath are biologically meaningful, achieving up to 4.5x higher Fidelity+ (necessity) and 14x lower Fidelity- (sufficiency) than explainer baselines, while preserving signaling chains up to 4x longer.

Haochen Liu, Song Wang, Yaochen Zhu et al.

Large Language Models (LLMs) have shown unprecedented performance in various real-world applications. However, they are known to generate factually inaccurate outputs, a.k.a. the hallucination problem. In recent years, incorporating external knowledge extracted from Knowledge Graphs (KGs) has become a promising strategy to improve the factual accuracy of LLM-generated outputs. Nevertheless, most existing explorations rely on LLMs themselves to perform KG knowledge extraction, which is highly inflexible as LLMs can only provide binary judgment on whether a certain knowledge (e.g., a knowledge path in KG) should be used. In addition, LLMs tend to pick only knowledge with direct semantic relationship with the input text, while potentially useful knowledge with indirect semantics can be ignored. In this work, we propose a principled framework KELP with three stages to handle the above problems. Specifically, KELP is able to achieve finer granularity of flexible knowledge extraction by generating scores for knowledge paths with input texts via latent semantic matching. Meanwhile, knowledge paths with indirect semantic relationships with the input text can also be considered via trained encoding between the selected paths in KG and the input text. Experiments on real-world datasets validate the effectiveness of KELP.

Yushun Dong, Jundong Li, Tobias Schnabel

In recent years, neural models have been repeatedly touted to exhibit state-of-the-art performance in recommendation. Nevertheless, multiple recent studies have revealed that the reported state-of-the-art results of many neural recommendation models cannot be reliably replicated. A primary reason is that existing evaluations are performed under various inconsistent protocols. Correspondingly, these replicability issues make it difficult to understand how much benefit we can actually gain from these neural models. It then becomes clear that a fair and comprehensive performance comparison between traditional and neural models is needed. Motivated by these issues, we perform a large-scale, systematic study to compare recent neural recommendation models against traditional ones in top-n recommendation from implicit data. We propose a set of evaluation strategies for measuring memorization performance, generalization performance, and subgroup-specific performance of recommendation models. We conduct extensive experiments with 13 popular recommendation models (including two neural models and 11 traditional ones as baselines) on nine commonly used datasets. Our experiments demonstrate that even with extensive hyper-parameter searches, neural models do not dominate traditional models in all aspects, e.g., they fare worse in terms of average HitRate. We further find that there are areas where neural models seem to outperform non-neural models, for example, in recommendation diversity and robustness between different subgroups of users and items. Our work illuminates the relative advantages and disadvantages of neural models in recommendation and is therefore an important step towards building better recommender systems.

Xingbo Fu, Chen Chen, Yushun Dong et al.

An antibiogram is a periodic summary of antibiotic resistance results of organisms from infected patients to selected antimicrobial drugs. Antibiograms help clinicians to understand regional resistance rates and select appropriate antibiotics in prescriptions. In practice, significant combinations of antibiotic resistance may appear in different antibiograms, forming antibiogram patterns. Such patterns may imply the prevalence of some infectious diseases in certain regions. Thus it is of crucial importance to monitor antibiotic resistance trends and track the spread of multi-drug resistant organisms. In this paper, we propose a novel problem of antibiogram pattern prediction that aims to predict which patterns will appear in the future. Despite its importance, tackling this problem encounters a series of challenges and has not yet been explored in the literature. First of all, antibiogram patterns are not i.i.d as they may have strong relations with each other due to genomic similarities of the underlying organisms. Second, antibiogram patterns are often temporally dependent on the ones that are previously detected. Furthermore, the spread of antibiotic resistance can be significantly influenced by nearby or similar regions. To address the above challenges, we propose a novel Spatial-Temporal Antibiogram Pattern Prediction framework, STAPP, that can effectively leverage the pattern correlations and exploit the temporal and spatial information. We conduct extensive experiments on a real-world dataset with antibiogram reports of patients from 1999 to 2012 for 203 cities in the United States. The experimental results show the superiority of STAPP against several competitive baselines.

Jing Ma, Yushun Dong, Zheng Huang et al.

To mitigate the spread of COVID-19 pandemic, decision-makers and public authorities have announced various non-pharmaceutical policies. Analyzing the causal impact of these policies in reducing the spread of COVID-19 is important for future policy-making. The main challenge here is the existence of unobserved confounders (e.g., vigilance of residents). Besides, as the confounders may be time-varying during COVID-19 (e.g., vigilance of residents changes in the course of the pandemic), it is even more difficult to capture them. In this paper, we study the problem of assessing the causal effects of different COVID-19 related policies on the outbreak dynamics in different counties at any given time period. To this end, we integrate data about different COVID-19 related policies (treatment) and outbreak dynamics (outcome) for different United States counties over time and analyze them with respect to variables that can infer the confounders, including the covariates of different counties, their relational information and historical information. Based on these data, we develop a neural network based causal effect estimation framework which leverages above information in observational data and learns the representations of time-varying (unobserved) confounders. In this way, it enables us to quantify the causal impact of policies at different granularities, ranging from a category of policies with a certain goal to a specific policy type in this category. Besides, experimental results also indicate the effectiveness of our proposed framework in capturing the confounders for quantifying the causal impact of different policies. More specifically, compared with several baseline methods, our framework captures the outbreak dynamics more accurately, and our assessment of policies is more consistent with existing epidemiological studies of COVID-19.