Guoren Wang

Hanjie Li, Changsheng Li, Kaituo Feng et al.

Graph structured data often possess dynamic characters in nature. Recent years have witnessed the increasing attentions paid to dynamic graph neural networks for modelling graph data. However, almost all existing approaches operate under the assumption that, upon the establishment of a new link, the embeddings of the neighboring nodes should undergo updates to learn temporal dynamics. Nevertheless, these approaches face the following limitation: If the node introduced by a new connection contains noisy information, propagating its knowledge to other nodes becomes unreliable and may even lead to the collapse of the model. In this paper, we propose Ada-DyGNN: a robust knowledge Adaptation framework via reinforcement learning for Dynamic Graph Neural Networks. In contrast to previous approaches, which update the embeddings of the neighbor nodes immediately after adding a new link, Ada-DyGNN adaptively determines which nodes should be updated. Considering that the decision to update the embedding of one neighbor node can significantly impact other neighbor nodes, we conceptualize the node update selection as a sequence decision problem and employ reinforcement learning to address it effectively. By this means, we can adaptively propagate knowledge to other nodes for learning robust node embedding representations. To the best of our knowledge, our approach constitutes the first attempt to explore robust knowledge adaptation via reinforcement learning specifically tailored for dynamic graph neural networks. Extensive experiments on three benchmark datasets demonstrate that Ada-DyGNN achieves the state-of-the-art performance. In addition, we conduct experiments by introducing different degrees of noise into the dataset, quantitatively and qualitatively illustrating the robustness of Ada-DyGNN.

Kaituo Feng, Yikun Miao, Changsheng Li et al.

Knowledge distillation (KD) has shown to be effective to boost the performance of graph neural networks (GNNs), where the typical objective is to distill knowledge from a deeper teacher GNN into a shallower student GNN. However, it is often quite challenging to train a satisfactory deeper GNN due to the well-known over-parametrized and over-smoothing issues, leading to invalid knowledge transfer in practical applications. In this paper, we propose the first Free-direction Knowledge Distillation framework via reinforcement learning for GNNs, called FreeKD, which is no longer required to provide a deeper well-optimized teacher GNN. Our core idea is to collaboratively learn two shallower GNNs to exchange knowledge between them. As we observe that one typical GNN model often exhibits better and worse performances at different nodes during training, we devise a dynamic and free-direction knowledge transfer strategy that involves two levels of actions: 1) node-level action determines the directions of knowledge transfer between the corresponding nodes of two networks; and then 2) structure-level action determines which of the local structures generated by the node-level actions to be propagated. Additionally, considering that different augmented graphs can potentially capture distinct perspectives of the graph data, we propose FreeKD-Prompt that learns undistorted and diverse augmentations based on prompt learning for exchanging varied knowledge. Furthermore, instead of confining knowledge exchange within two GNNs, we develop FreeKD++ to enable free-direction knowledge transfer among multiple GNNs. Extensive experiments on five benchmark datasets demonstrate our approaches outperform the base GNNs in a large margin. More surprisingly, our FreeKD has comparable or even better performance than traditional KD algorithms that distill knowledge from a deeper and stronger teacher GNN.

Yuhan Guo, Lizhong Ding, Ye Yuan et al.

Random feature attention (RFA) adopts random fourier feature (RFF) methods to approximate the softmax function, resulting in a linear time and space attention mechanism that enables the construction of an efficient Transformer. Inspired by RFA, we propose Macformer, a Transformer architecture that employs random Maclaurin features (RMF) to approximate various dot-product kernels, thereby accelerating attention computations for long sequence. Macformer consists of Random Maclaurin Feature Attention (RMFA) and pre-post Scaling Batch Normalization (ppSBN), the former is an unbiased approximation for dot-product kernelized attention and the later is a two-stage regularization mechanism guaranteeing the error of RMFA. We conducted toy experiments to demonstrate the efficiency of RMFA and ppSBN, and experiments on long range arena (LRA) benchmark to validate the acceleration and accuracy of Macformer with different dot-product kernels. Experiment results of Macformer are consistent with our theoretical analysis.

Xunkai Li, Zhengyu Wu, Jiayi Wu et al.

With the increasing prevalence of cross-domain Text-Attributed Graph (TAG) Data (e.g., citation networks, recommendation systems, social networks, and ai4science), the integration of Graph Neural Networks (GNNs) and Large Language Models (LLMs) into a unified Model architecture (e.g., LLM as enhancer, LLM as collaborators, LLM as predictor) has emerged as a promising technological paradigm. The core of this new graph learning paradigm lies in the synergistic combination of GNNs' ability to capture complex structural relationships and LLMs' proficiency in understanding informative contexts from the rich textual descriptions of graphs. Therefore, we can leverage graph description texts with rich semantic context to fundamentally enhance Data quality, thereby improving the representational capacity of model-centric approaches in line with data-centric machine learning principles. By leveraging the strengths of these distinct neural network architectures, this integrated approach addresses a wide range of TAG-based Task (e.g., graph learning, graph reasoning, and graph question answering), particularly in complex industrial scenarios (e.g., supervised, few-shot, and zero-shot settings). In other words, we can treat text as a medium to enable cross-domain generalization of graph learning Model, allowing a single graph model to effectively handle the diversity of downstream graph-based Task across different data domains. This work serves as a foundational reference for researchers and practitioners looking to advance graph learning methodologies in the rapidly evolving landscape of LLM. We consistently maintain the related open-source materials at \url{https://github.com/xkLi-Allen/Awesome-GNN-in-LLMs-Papers}.

Xunkai Li, Zhengyu Wu, Wentao Zhang et al.

Federated Graph Learning (FGL) is a distributed machine learning paradigm that enables collaborative training on large-scale subgraphs across multiple local systems. Existing FGL studies fall into two categories: (i) FGL Optimization, which improves multi-client training in existing machine learning models; (ii) FGL Model, which enhances performance with complex local models and multi-client interactions. However, most FGL optimization strategies are designed specifically for the computer vision domain and ignore graph structure, presenting dissatisfied performance and slow convergence. Meanwhile, complex local model architectures in FGL Models studies lack scalability for handling large-scale subgraphs and have deployment limitations. To address these issues, we propose Federated Graph Topology-aware Aggregation (FedGTA), a personalized optimization strategy that optimizes through topology-aware local smoothing confidence and mixed neighbor features. During experiments, we deploy FedGTA in 12 multi-scale real-world datasets with the Louvain and Metis split. This allows us to evaluate the performance and robustness of FedGTA across a range of scenarios. Extensive experiments demonstrate that FedGTA achieves state-of-the-art performance while exhibiting high scalability and efficiency. The experiment includes ogbn-papers100M, the most representative large-scale graph database so that we can verify the applicability of our method to large-scale graph learning. To the best of our knowledge, our study is the first to bridge large-scale graph learning with FGL using this optimization strategy, contributing to the development of efficient and scalable FGL methods.

Xunkai Li, Yulin Zhao, Zhengyu Wu et al.

With the rapid advancement of AI applications, the growing needs for data privacy and model robustness have highlighted the importance of machine unlearning, especially in thriving graph-based scenarios. However, most existing graph unlearning strategies primarily rely on well-designed architectures or manual process, rendering them less user-friendly and posing challenges in terms of deployment efficiency. Furthermore, striking a balance between unlearning performance and framework generalization is also a pivotal concern. To address the above issues, we propose \underline{\textbf{M}}utual \underline{\textbf{E}}volution \underline{\textbf{G}}raph \underline{\textbf{U}}nlearning (MEGU), a new mutual evolution paradigm that simultaneously evolves the predictive and unlearning capacities of graph unlearning. By incorporating aforementioned two components, MEGU ensures complementary optimization in a unified training framework that aligns with the prediction and unlearning requirements. Extensive experiments on 9 graph benchmark datasets demonstrate the superior performance of MEGU in addressing unlearning requirements at the feature, node, and edge levels. Specifically, MEGU achieves average performance improvements of 2.7\%, 2.5\%, and 3.2\% across these three levels of unlearning tasks when compared to state-of-the-art baselines. Furthermore, MEGU exhibits satisfactory training efficiency, reducing time and space overhead by an average of 159.8x and 9.6x, respectively, in comparison to retraining GNN from scratch.

Henan Sun, Xunkai Li, Zhengyu Wu et al.

Recently, graph neural networks (GNNs) have shown prominent performance in semi-supervised node classification by leveraging knowledge from the graph database. However, most existing GNNs follow the homophily assumption, where connected nodes are more likely to exhibit similar feature distributions and the same labels, and such an assumption has proven to be vulnerable in a growing number of practical applications. As a supplement, heterophily reflects dissimilarity in connected nodes, which has gained significant attention in graph learning. To this end, data engineers aim to develop a powerful GNN model that can ensure performance under both homophily and heterophily. Despite numerous attempts, most existing GNNs struggle to achieve optimal node representations due to the constraints of undirected graphs. The neglect of directed edges results in sub-optimal graph representations, thereby hindering the capacity of GNNs. To address this issue, we introduce AMUD, which quantifies the relationship between node profiles and topology from a statistical perspective, offering valuable insights for Adaptively Modeling the natural directed graphs as the Undirected or Directed graph to maximize the benefits from subsequent graph learning. Furthermore, we propose Adaptive Directed Pattern Aggregation (ADPA) as a new directed graph learning paradigm for AMUD. Empirical studies have demonstrated that AMUD guides efficient graph learning. Meanwhile, extensive experiments on 16 benchmark datasets substantiate the impressive performance of ADPA, outperforming baselines by significant margins of 3.96.

Xunkai Li, Jingyuan Ma, Zhengyu Wu et al.

Scalable graph neural networks (GNNs) have emerged as a promising technique, which exhibits superior predictive performance and high running efficiency across numerous large-scale graph-based web applications. However, (i) Most scalable GNNs tend to treat all nodes in graphs with the same propagation rules, neglecting their topological uniqueness; (ii) Existing node-wise propagation optimization strategies are insufficient on web-scale graphs with intricate topology, where a full portrayal of nodes' local properties is required. Intuitively, different nodes in web-scale graphs possess distinct topological roles, and therefore propagating them indiscriminately or neglect local contexts may compromise the quality of node representations. This intricate topology in web-scale graphs cannot be matched by small-scale scenarios. To address the above issues, we propose \textbf{A}daptive \textbf{T}opology-aware \textbf{P}ropagation (ATP), which reduces potential high-bias propagation and extracts structural patterns of each node in a scalable manner to improve running efficiency and predictive performance. Remarkably, ATP is crafted to be a plug-and-play node-wise propagation optimization strategy, allowing for offline execution independent of the graph learning process in a new perspective. Therefore, this approach can be seamlessly integrated into most scalable GNNs while remain orthogonal to existing node-wise propagation optimization strategies. Extensive experiments on 12 datasets, including the most representative large-scale ogbn-papers100M, have demonstrated the effectiveness of ATP. Specifically, ATP has proven to be efficient in improving the performance of prevalent scalable GNNs for semi-supervised node classification while addressing redundant computational costs.

Xunkai Li, Meihao Liao, Zhengyu Wu et al.

Most existing graph neural networks (GNNs) are limited to undirected graphs, whose restricted scope of the captured relational information hinders their expressive capabilities and deployments in real-world scenarios. Compared with undirected graphs, directed graphs (digraphs) fit the demand for modeling more complex topological systems by capturing more intricate relationships between nodes, such as formulating transportation and financial networks. While some directed GNNs have been introduced, their inspiration mainly comes from deep learning architectures, which lead to redundant complexity and computation, making them inapplicable to large-scale databases. To address these issues, we propose LightDiC, a scalable variant of the digraph convolution based on the magnetic Laplacian. Since topology-related computations are conducted solely during offline pre-processing, LightDiC achieves exceptional scalability, enabling downstream predictions to be trained separately without incurring recursive computational costs. Theoretical analysis shows that LightDiC utilizes directed information to achieve message passing based on the complex field, which corresponds to the proximal gradient descent process of the Dirichlet energy optimization function from the perspective of digraph signal denoising, ensuring its expressiveness. Experimental results demonstrate that LightDiC performs comparably well or even outperforms other SOTA methods in various downstream tasks, with fewer learnable parameters and higher training efficiency. Notably, LightDiC is the first DiGNN to provide satisfactory results in the most representative large-scale database (ogbn-papers100M).

Bowen Fan, Yuming Ai, Xunkai Li et al.

Graph Machine Learning is essential for understanding and analyzing relational data. However, privacy-sensitive applications demand the ability to efficiently remove sensitive information from trained graph neural networks (GNNs), avoiding the unnecessary time and space overhead caused by retraining models from scratch. To address this issue, Graph Unlearning (GU) has emerged as a critical solution, with the potential to support dynamic graph updates in data management systems and enable scalable unlearning in distributed data systems while ensuring privacy compliance. Unlike machine unlearning in computer vision or other fields, GU faces unique difficulties due to the non-Euclidean nature of graph data and the recursive message-passing mechanism of GNNs. Additionally, the diversity of downstream tasks and the complexity of unlearning requests further amplify these challenges. Despite the proliferation of diverse GU strategies, the absence of a benchmark providing fair comparisons for GU, and the limited flexibility in combining downstream tasks and unlearning requests, have yielded inconsistencies in evaluations, hindering the development of this domain. To fill this gap, we present OpenGU, the first GU benchmark, where 16 SOTA GU algorithms and 37 multi-domain datasets are integrated, enabling various downstream tasks with 13 GNN backbones when responding to flexible unlearning requests. Based on this unified benchmark framework, we are able to provide a comprehensive and fair evaluation for GU. Through extensive experimentation, we have drawn $8$ crucial conclusions about existing GU methods, while also gaining valuable insights into their limitations, shedding light on potential avenues for future research.

Henan Sun, Xunkai Li, Daohan Su et al.

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

Henan Sun, Xunkai Li, Lei Zhu et al.

Out-Of-Distribution (OOD) generalization has gained increasing attentions for machine learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation under distribution shifts. Existing graph OOD methods tend to follow the basic ideas of invariant risk minimization and structural causal models, interpreting the invariant knowledge across datasets under various distribution shifts as graph topology or graph spectrum. However, these interpretations may be inconsistent with real-world scenarios, as neither invariant topology nor spectrum is assured. In this paper, we advocate the learnable random walk (LRW) perspective as the instantiation of invariant knowledge, and propose LRW-OOD to realize graph OOD generalization learning. Instead of employing fixed probability transition matrix (i.e., degree-normalized adjacency matrix), we parameterize the transition matrix with an LRW-sampler and a path encoder. Furthermore, we propose the kernel density estimation (KDE)-based mutual information (MI) loss to generate random walk sequences that adhere to OOD principles. Extensive experiment demonstrates that our model can effectively enhance graph OOD generalization under various types of distribution shifts and yield a significant accuracy improvement of 3.87% over state-of-the-art graph OOD generalization baselines.

Xunkai Li, Zhengyu Wu, Kaichi Yu et al.

The directed graph (digraph), as a generalization of undirected graphs, exhibits superior representation capability in modeling complex topology systems and has garnered considerable attention in recent years. Despite the notable efforts made by existing DiGraph Neural Networks (DiGNNs) to leverage directed edges, they still fail to comprehensively delve into the abundant data knowledge concealed in the digraphs. This data-level limitation results in model-level sub-optimal predictive performance and underscores the necessity of further exploring the potential correlations between the directed edges (topology) and node profiles (feature and labels) from a data-centric perspective, thereby empowering model-centric neural networks with stronger encoding capabilities. In this paper, we propose \textbf{E}ntropy-driven \textbf{D}igraph knowl\textbf{E}dge distillatio\textbf{N} (EDEN), which can serve as a data-centric digraph learning paradigm or a model-agnostic hot-and-plug data-centric Knowledge Distillation (KD) module. The core idea is to achieve data-centric ML, guided by our proposed hierarchical encoding theory for structured data. Specifically, EDEN first utilizes directed structural measurements from a topology perspective to construct a coarse-grained Hierarchical Knowledge Tree (HKT). Subsequently, EDEN quantifies the mutual information of node profiles to refine knowledge flow in the HKT, enabling data-centric KD supervision within model training. As a general framework, EDEN can also naturally extend to undirected scenarios and demonstrate satisfactory performance. In our experiments, EDEN has been widely evaluated on 14 (di)graph datasets (homophily and heterophily) and across 4 downstream tasks. The results demonstrate that EDEN attains SOTA performance and exhibits strong improvement for prevalent (Di)GNNs.

Xunkai Li, Daohan Su, Zhengyu Wu et al.

The $q$-parameterized magnetic Laplacian serves as the foundation of directed graph (digraph) convolution, enabling this kind of digraph neural network (MagDG) to encode node features and structural insights by complex-domain message passing. As a generalization of undirected methods, MagDG shows superior capability in modeling intricate web-scale topology. Despite the great success achieved by existing MagDGs, limitations still exist: (1) Hand-crafted $q$: The performance of MagDGs depends on selecting an appropriate $q$-parameter to construct suitable graph propagation equations in the complex domain. This parameter tuning, driven by downstream tasks, limits model flexibility and significantly increases manual effort. (2) Coarse Message Passing: Most approaches treat all nodes with the same complex-domain propagation and aggregation rules, neglecting their unique digraph contexts. This oversight results in sub-optimal performance. To address the above issues, we propose two key techniques: (1) MAP is crafted to be a plug-and-play complex-domain propagation optimization strategy in the context of digraph learning, enabling seamless integration into any MagDG to improve predictions while enjoying high running efficiency. (2) MAP++ is a new digraph learning framework, further incorporating a learnable mechanism to achieve adaptively edge-wise propagation and node-wise aggregation in the complex domain for better performance. Extensive experiments on 12 datasets demonstrate that MAP enjoys flexibility for it can be incorporated with any MagDG, and scalability as it can deal with web-scale digraphs. MAP++ achieves SOTA predictive performance on 4 different downstream tasks.

Xunkai Li, Daohan Su, Sicheng Liu et al.

Inspired by the success of LLMs, GFMs are designed to learn the optimal embedding functions from multi-domain text-attributed graphs for the downstream cross-task generalization capability. Among the diverse architectures, graph VQ-MAE stands out among the increasingly diverse landscape of GFM. This is attributed to its ability to jointly encode topology and textual attributes from multiple domains into discrete embedding spaces with clear semantic boundaries. Despite its potential, domain generalization conflicts cause imperceptible pitfalls. In this paper, we instantiate two of them, and they are just like two sides of the same GFM optimization coin - Side 1 Model Degradation: The encoder and codebook fail to capture the diversity of inputs; Side 2 Representation Collapse: The hidden embedding and codebook vector fail to preserve semantic separability due to constraints from narrow representation subspaces. These two pitfalls (sides) collectively impair the decoder and generate the low-quality reconstructed supervision, causing the GFM optimization dilemma during pre-training (coin). Through empirical investigation, we attribute the above challenges to Information Bottleneck and Regularization Deficit. To address them, we propose MoT - (1) Information Tinker for Two Pitfalls, which utilizes an edge-wise semantic fusion strategy and a mixture-of-codebooks with domain-aware routing to improve information capacity. (2) Regularization Tinker for Optimization Coin, which utilizes two additional regularizations to further improve gradient supervision in our proposed Information Tinker. Notably, as a flexible architecture, MoT adheres to the scaling laws of GFM, offering a controllable model scale. Compared to SOTA baselines, experiments on 22 datasets across 6 domains demonstrate that MoT achieves significant improvements in supervised, few-shot, and zero-shot scenarios.

Meihao Liao, Yueyang Pan, Rong-Hua Li et al.

Resistance distance computation is a fundamental problem in graph analysis, yet existing random walk-based methods are limited to approximate solutions and suffer from poor efficiency on small-treewidth graphs (e.g., road networks). In contrast, shortest-path distance computation achieves remarkable efficiency on such graphs by leveraging cut properties and tree decompositions. Motivated by this disparity, we first analyze the cut property of resistance distance. While a direct generalization proves impractical due to costly matrix operations, we overcome this limitation by integrating tree decompositions, revealing that the resistance distance $r(s,t)$ depends only on labels along the paths from $s$ and $t$ to the root of the decomposition. This insight enables compact labelling structures. Based on this, we propose \treeindex, a novel index method that constructs a resistance distance labelling of size $O(n \cdot h_{\mathcal{G}})$ in $O(n \cdot h_{\mathcal{G}}^2 \cdot d_{\max})$ time, where $h_{\mathcal{G}}$ (tree height) and $d_{\max}$ (maximum degree) behave as small constants in many real-world small-treewidth graphs (e.g., road networks). Our labelling supports exact single-pair queries in $O(h_{\mathcal{G}})$ time and single-source queries in $O(n \cdot h_{\mathcal{G}})$ time. Extensive experiments show that TreeIndex substantially outperforms state-of-the-art approaches. For instance, on the full USA road network, it constructs a $405$ GB labelling in $7$ hours (single-threaded) and answers exact single-pair queries in $10^{-3}$ seconds and single-source queries in $190$ seconds--the first exact method scalable to such large graphs.

Zhengyu Wu, Boyang Pang, Xunkai Li et al.

Federated Graph Learning (FGL) enables privacy-preserving, distributed training of graph neural networks without sharing raw data. Among its approaches, subgraph-FL has become the dominant paradigm, with most work focused on improving overall node classification accuracy. However, these methods often overlook fairness due to the complexity of node features, labels, and graph structures. In particular, they perform poorly on nodes with disadvantaged properties, such as being in the minority class within subgraphs or having heterophilous connections (neighbors with dissimilar labels or misleading features). This reveals a critical issue: high accuracy can mask degraded performance on structurally or semantically marginalized nodes. To address this, we advocate for two fairness goals: (1) improving representation of minority class nodes for class-wise fairness and (2) mitigating topological bias from heterophilous connections for topology-aware fairness. We propose FairFGL, a novel framework that enhances fairness through fine-grained graph mining and collaborative learning. On the client side, the History-Preserving Module prevents overfitting to dominant local classes, while the Majority Alignment Module refines representations of heterophilous majority-class nodes. The Gradient Modification Module transfers minority-class knowledge from structurally favorable clients to improve fairness. On the server side, FairFGL uploads only the most influenced subset of parameters to reduce communication costs and better reflect local distributions. A cluster-based aggregation strategy reconciles conflicting updates and curbs global majority dominance . Extensive evaluations on eight benchmarks show FairFGL significantly improves minority-group performance , achieving up to a 22.62 percent Macro-F1 gain while enhancing convergence over state-of-the-art baselines.