Evolutionary computing, particularly genetic algorithm (GA), is a combinatorial optimization method inspired by natural selection and the transmission of genetic information, which is widely used to identify optimal solutions to complex problems through simulated programming and iteration. Due to its strong adaptability, flexibility, and robustness, GA has shown significant performance and potentiality on perturbed substructure optimization (PSSO), an important graph mining problem that achieves its goals by modifying network structures. However, the efficiency and practicality of GA-based PSSO face enormous challenges due to the complexity and diversity of application scenarios. While some research has explored acceleration frameworks in evolutionary computing, their performance on PSSO remains limited due to a lack of scenario generalizability. Based on these, this paper is the first to present the GA-based PSSO Acceleration framework (GAPA), which simplifies the GA development process and supports distributed acceleration. Specifically, it reconstructs the genetic operation and designs a development framework for efficient parallel acceleration. Meanwhile, GAPA includes an extensible library that optimizes and accelerates 10 PSSO algorithms, covering 4 crucial tasks for graph mining. Comprehensive experiments on 18 datasets across 4 tasks and 10 algorithms effectively demonstrate the superiority of GAPA, achieving an average of 4x the acceleration of Evox. The repository is in https://github.com/NetAlsGroup/GAPA.
Multi-label node classification is an important yet under-explored domain in graph mining as many real-world nodes belong to multiple categories rather than just a single one. Although a few efforts have been made by utilizing Graph Convolution Networks (GCNs) to learn node representations and model correlations between multiple labels in the embedding space, they still suffer from the ambiguous feature and ambiguous topology induced by multiple labels, which reduces the credibility of the messages delivered in graphs and overlooks the label correlations on graph data. Therefore, it is crucial to reduce the ambiguity and empower the GCNs for accurate classification. However, this is quite challenging due to the requirement of retaining the distinctiveness of each label while fully harnessing the correlation between labels simultaneously. To address these issues, in this paper, we propose a Correlation-aware Graph Convolutional Network (CorGCN) for multi-label node classification. By introducing a novel Correlation-Aware Graph Decomposition module, CorGCN can learn a graph that contains rich label-correlated information for each label. It then employs a Correlation-Enhanced Graph Convolution to model the relationships between labels during message passing to further bolster the classification process. Extensive experiments on five datasets demonstrate the effectiveness of our proposed CorGCN.
Graph Neural Networks (GNNs) have shown great promise in modeling relationships between nodes in a graph, but capturing higher-order relationships remains a challenge for large-scale networks. Previous studies have primarily attempted to utilize the information from higher-order neighbors in the graph, involving the incorporation of powers of the shift operator, such as the graph Laplacian or adjacency matrix. This approach comes with a trade-off in terms of increased computational and memory demands. Relying on graph spectral theory, we make a fundamental observation: the regular and the Hadamard power of the Laplacian matrix behave similarly in the spectrum. This observation has significant implications for capturing higher-order information in GNNs for various tasks such as node classification and semi-supervised learning. Consequently, we propose a novel graph convolutional operator based on the sparse Sobolev norm of graph signals. Our approach, known as Sparse Sobolev GNN (S2-GNN), employs Hadamard products between matrices to maintain the sparsity level in graph representations. S2-GNN utilizes a cascade of filters with increasing Hadamard powers to generate a diverse set of functions. We theoretically analyze the stability of S2-GNN to show the robustness of the model against possible graph perturbations. We also conduct a comprehensive evaluation of S2-GNN across various graph mining, semi-supervised node classification, and computer vision tasks. In particular use cases, our algorithm demonstrates competitive performance compared to state-of-the-art GNNs in terms of performance and running time.
Counting the number of small subgraphs, called motifs, is a fundamental problem in social network analysis and graph mining. Many real-world networks are directed and temporal, where edges have timestamps. Motif counting in directed, temporal graphs is especially challenging because there are a plethora of different kinds of patterns. Temporal motif counts reveal much richer information and there is a need for scalable algorithms for motif counting. A major challenge in counting is that there can be trillions of temporal motif matches even with a graph with only millions of vertices. Both the motifs and the input graphs can have multiple edges between two vertices, leading to a combinatorial explosion problem. Counting temporal motifs involving just four vertices is not feasible with current state-of-the-art algorithms. We design an algorithm, TEACUPS, that addresses this problem using a novel technique of temporal path sampling. We combine a path sampling method with carefully designed temporal data structures, to propose an efficient approximate algorithm for temporal motif counting. TEACUPS is an unbiased estimator with provable concentration behavior, which can be used to bound the estimation error. For a Bitcoin graph with hundreds of millions of edges, TEACUPS runs in less than 1 minute, while the exact counting algorithm takes more than a day. We empirically demonstrate the accuracy of TEACUPS on large datasets, showing an average of 30$\times$ speedup (up to 2000$\times$ speedup) compared to existing GPU-based exact counting methods while preserving high count estimation accuracy.
Due to its collaborative nature, Wikidata is known to have a complex taxonomy, with recurrent issues like the ambiguity between instances and classes, the inaccuracy of some taxonomic paths, the presence of cycles, and the high level of redundancy across classes. Manual efforts to clean up this taxonomy are time-consuming and prone to errors or subjective decisions. We present WiKC, a new version of Wikidata taxonomy cleaned automatically using a combination of Large Language Models (LLMs) and graph mining techniques. Operations on the taxonomy, such as cutting links or merging classes, are performed with the help of zero-shot prompting on an open-source LLM. The quality of the refined taxonomy is evaluated from both intrinsic and extrinsic perspectives, on a task of entity typing for the latter, showing the practical interest of WiKC.
Attributed networks containing entity-specific information in node attributes are ubiquitous in modeling social networks, e-commerce, bioinformatics, etc. Their inherent network topology ranges from simple graphs to hypergraphs with high-order interactions and multiplex graphs with separate layers. An important graph mining task is node clustering, aiming to partition the nodes of an attributed network into k disjoint clusters such that intra-cluster nodes are closely connected and share similar attributes, while inter-cluster nodes are far apart and dissimilar. It is highly challenging to capture multi-hop connections via nodes or attributes for effective clustering on multiple types of attributed networks. In this paper, we first present AHCKA as an efficient approach to attributed hypergraph clustering (AHC). AHCKA includes a carefully-crafted K-nearest neighbor augmentation strategy for the optimized exploitation of attribute information on hypergraphs, a joint hypergraph random walk model to devise an effective AHC objective, and an efficient solver with speedup techniques for the objective optimization. The proposed techniques are extensible to various types of attributed networks, and thus, we develop ANCKA as a versatile attributed network clustering framework, capable of attributed graph clustering (AGC), attributed multiplex graph clustering (AMGC), and AHC. Moreover, we devise ANCKA with algorithmic designs tailored for GPU acceleration to boost efficiency. We have conducted extensive experiments to compare our methods with 19 competitors on 8 attributed hypergraphs, 16 competitors on 6 attributed graphs, and 16 competitors on 3 attributed multiplex graphs, all demonstrating the superb clustering quality and efficiency of our methods.
Graphs are a fundamental data structure used to represent relationships in domains as diverse as the social sciences, bioinformatics, cybersecurity, the Internet, and more. One of the central observations in network science is that real-world graphs are globally sparse, yet contains numerous "pockets" of high edge density. A fundamental task in graph mining is to discover these dense subgraphs. Most common formulations of the problem involve finding a single (or a few) "optimally" dense subsets. But in most real applications, one does not care for the optimality. Instead, we want to find a large collection of dense subsets that covers a significant fraction of the input graph. We give a mathematical formulation of this problem, using a new definition of regularly triangle-rich (RTR) families. These families capture the notion of dense subgraphs that contain many triangles and have degrees comparable to the subgraph size. We design a provable algorithm, RTRExtractor, that can discover RTR families that approximately cover any RTR set. The algorithm is efficient and is inspired by recent results that use triangle counts for community testing and clustering. We show that RTRExtractor has excellent behavior on a large variety of real-world datasets. It is able to process graphs with hundreds of millions of edges within minutes. Across many datasets, RTRExtractor achieves high coverage using high edge density datasets. For example, the output covers a quarter of the vertices with subgraphs of edge density more than (say) $0.5$, for datasets with 10M+ edges. We show an example of how the output of RTRExtractor correlates with meaningful sets of similar vertices in a citation network, demonstrating the utility of RTRExtractor for unsupervised graph discovery tasks.
Graph mining has become crucial in fields such as social science, finance, and cybersecurity. Many large-scale real-world networks exhibit both heterogeneity, where multiple node and edge types exist in the graph, and heterophily, where connected nodes may have dissimilar labels and attributes. However, existing benchmarks primarily focus on either heterophilic homogeneous graphs or homophilic heterogeneous graphs, leaving a significant gap in understanding how models perform on graphs with both heterogeneity and heterophily. To bridge this gap, we introduce H2GB, a large-scale node-classification graph benchmark that brings together the complexities of both the heterophily and heterogeneity properties of real-world graphs. H2GB encompasses 9 real-world datasets spanning 5 diverse domains, 28 baseline models, and a unified benchmarking library with a standardized data loader, evaluator, unified modeling framework, and an extensible framework for reproducibility. We establish a standardized workflow supporting both model selection and development, enabling researchers to easily benchmark graph learning methods. Extensive experiments across 28 baselines reveal that current methods struggle with heterophilic and heterogeneous graphs, underscoring the need for improved approaches. Finally, we present a new variant of the model, H2G-former, developed following our standardized workflow, that excels at this challenging benchmark. Both the benchmark and the framework are publicly available at Github and PyPI, with documentation hosted at https://junhongmit.github.io/H2GB.
Recent work shows that large language models (LLMs) can answer multiple-choice questions using only the choices, but does this mean that MCQA leaderboard rankings of LLMs are largely influenced by abilities in choices-only settings? To answer this, we use a contrast set that probes if LLMs over-rely on choices-only shortcuts in MCQA. While previous works build contrast sets via expensive human annotations or model-generated data which can be biased, we employ graph mining to extract contrast sets from existing MCQA datasets. We use our method on UnifiedQA, a group of six commonsense reasoning datasets with high choices-only accuracy, to build an 820-question contrast set. After validating our contrast set, we test 12 LLMs, finding that these models do not exhibit reliance on choice-only shortcuts when given both the question and choices. Thus, despite the susceptibility~of MCQA to high choices-only accuracy, we argue that LLMs are not obtaining high ranks on MCQA leaderboards just due to their ability to exploit choices-only shortcuts.
Graph Neural Networks (GNNs) have emerged as a prominent framework for graph mining, leading to significant advances across various domains. Stemmed from the node-wise representations of GNNs, existing explanation studies have embraced the subgraph-specific viewpoint that attributes the decision results to the salient features and local structures of nodes. However, graph-level tasks necessitate long-range dependencies and global interactions for advanced GNNs, deviating significantly from subgraph-specific explanations. To bridge this gap, this paper proposes a novel intrinsically interpretable scheme for graph classification, termed as Global Interactive Pattern (GIP) learning, which introduces learnable global interactive patterns to explicitly interpret decisions. GIP first tackles the complexity of interpretation by clustering numerous nodes using a constrained graph clustering module. Then, it matches the coarsened global interactive instance with a batch of self-interpretable graph prototypes, thereby facilitating a transparent graph-level reasoning process. Extensive experiments conducted on both synthetic and real-world benchmarks demonstrate that the proposed GIP yields significantly superior interpretability and competitive performance to~the state-of-the-art counterparts. Our code will be made publicly available.
Recent studies successfully learned static graph embeddings that are structurally fair by preventing the effectiveness disparity of high- and low-degree vertex groups in downstream graph mining tasks. However, achieving structure fairness in dynamic graph embedding remains an open problem. Neglecting degree changes in dynamic graphs will significantly impair embedding effectiveness without notably improving structure fairness. This is because the embedding performance of high-degree and low-to-high-degree vertices will significantly drop close to the generally poorer embedding performance of most slightly changed vertices in the long-tail part of the power-law distribution. We first identify biased structural evolutions in a dynamic graph based on the evolving trend of vertex degree and then propose FairDGE, the first structurally Fair Dynamic Graph Embedding algorithm. FairDGE learns biased structural evolutions by jointly embedding the connection changes among vertices and the long-short-term evolutionary trend of vertex degrees. Furthermore, a novel dual debiasing approach is devised to encode fair embeddings contrastively, customizing debiasing strategies for different biased structural evolutions. This innovative debiasing strategy breaks the effectiveness bottleneck of embeddings without notable fairness loss. Extensive experiments demonstrate that FairDGE achieves simultaneous improvement in the effectiveness and fairness of embeddings.
Graph clustering, a fundamental and challenging task in graph mining, aims to classify nodes in a graph into several disjoint clusters. In recent years, graph contrastive learning (GCL) has emerged as a dominant line of research in graph clustering and advances the new state-of-the-art. However, GCL-based methods heavily rely on graph augmentations and contrastive schemes, which may potentially introduce challenges such as semantic drift and scalability issues. Another promising line of research involves the adoption of modularity maximization, a popular and effective measure for community detection, as the guiding principle for clustering tasks. Despite the recent progress, the underlying mechanism of modularity maximization is still not well understood. In this work, we dig into the hidden success of modularity maximization for graph clustering. Our analysis reveals the strong connections between modularity maximization and graph contrastive learning, where positive and negative examples are naturally defined by modularity. In light of our results, we propose a community-aware graph clustering framework, coined MAGI, which leverages modularity maximization as a contrastive pretext task to effectively uncover the underlying information of communities in graphs, while avoiding the problem of semantic drift. Extensive experiments on multiple graph datasets verify the effectiveness of MAGI in terms of scalability and clustering performance compared to state-of-the-art graph clustering methods. Notably, MAGI easily scales a sufficiently large graph with 100M nodes while outperforming strong baselines.
Graph Neural Networks (GNNs) have demonstrated strong performance in graph mining tasks due to their message-passing mechanism, which is aligned with the homophily assumption that adjacent nodes exhibit similar behaviors. However, in many real-world graphs, connected nodes may display contrasting behaviors, termed as heterophilous patterns, which has attracted increased interest in heterophilous GNNs (HTGNNs). Although the message-passing mechanism seems unsuitable for heterophilous graphs due to the propagation of class-irrelevant information, it is still widely used in many existing HTGNNs and consistently achieves notable success. This raises the question: why does message passing remain effective on heterophilous graphs? To answer this question, in this paper, we revisit the message-passing mechanisms in heterophilous graph neural networks and reformulate them into a unified heterophilious message-passing (HTMP) mechanism. Based on HTMP and empirical analysis, we reveal that the success of message passing in existing HTGNNs is attributed to implicitly enhancing the compatibility matrix among classes. Moreover, we argue that the full potential of the compatibility matrix is not completely achieved due to the existence of incomplete and noisy semantic neighborhoods in real-world heterophilous graphs. To bridge this gap, we introduce a new approach named CMGNN, which operates within the HTMP mechanism to explicitly leverage and improve the compatibility matrix. A thorough evaluation involving 10 benchmark datasets and comparative analysis against 13 well-established baselines highlights the superior performance of the HTMP mechanism and CMGNN method.
With the rapid proliferation of scientific literature, versatile academic knowledge services increasingly rely on comprehensive academic graph mining. Despite the availability of public academic graphs, benchmarks, and datasets, these resources often fall short in multi-aspect and fine-grained annotations, are constrained to specific task types and domains, or lack underlying real academic graphs. In this paper, we present OAG-Bench, a comprehensive, multi-aspect, and fine-grained human-curated benchmark based on the Open Academic Graph (OAG). OAG-Bench covers 10 tasks, 20 datasets, 70+ baselines, and 120+ experimental results to date. We propose new data annotation strategies for certain tasks and offer a suite of data pre-processing codes, algorithm implementations, and standardized evaluation protocols to facilitate academic graph mining. Extensive experiments reveal that even advanced algorithms like large language models (LLMs) encounter difficulties in addressing key challenges in certain tasks, such as paper source tracing and scholar profiling. We also introduce the Open Academic Graph Challenge (OAG-Challenge) to encourage community input and sharing. We envisage that OAG-Bench can serve as a common ground for the community to evaluate and compare algorithms in academic graph mining, thereby accelerating algorithm development and advancement in this field. OAG-Bench is accessible at https://www.aminer.cn/data/.
Due to the ubiquity of graph data on the web, web graph mining has become a hot research spot. Nonetheless, the prevalence of large-scale web graphs in real applications poses significant challenges to storage, computational capacity and graph model design. Despite numerous studies to enhance the scalability of graph models, a noticeable gap remains between academic research and practical web graph mining applications. One major cause is that in most industrial scenarios, only a small part of nodes in a web graph are actually required to be analyzed, where we term these nodes as target nodes, while others as background nodes. In this paper, we argue that properly fetching and condensing the background nodes from massive web graph data might be a more economical shortcut to tackle the obstacles fundamentally. To this end, we make the first attempt to study the problem of massive background nodes compression for target nodes classification. Through extensive experiments, we reveal two critical roles played by the background nodes in target node classification: enhancing structural connectivity between target nodes, and feature correlation with target nodes. Followingthis, we propose a novel Graph-Skeleton1 model, which properly fetches the background nodes, and further condenses the semantic and topological information of background nodes within similar target-background local structures. Extensive experiments on various web graph datasets demonstrate the effectiveness and efficiency of the proposed method. In particular, for MAG240M dataset with 0.24 billion nodes, our generated skeleton graph achieves highly comparable performance while only containing 1.8% nodes of the original graph.
Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between pre-training and downstream datasets, which, however, does not hold in many real-world scenarios. Existing works have shown that the structural divergence between pre-training and downstream graphs significantly limits the transferability when using the vanilla fine-tuning strategy. This divergence leads to model overfitting on pre-training graphs and causes difficulties in capturing the structural properties of the downstream graphs. In this paper, we identify the fundamental cause of structural divergence as the discrepancy of generative patterns between the pre-training and downstream graphs. Furthermore, we propose G-Tuning to preserve the generative patterns of downstream graphs. Given a downstream graph G, the core idea is to tune the pre-trained GNN so that it can reconstruct the generative patterns of G, the graphon W. However, the exact reconstruction of a graphon is known to be computationally expensive. To overcome this challenge, we provide a theoretical analysis that establishes the existence of a set of alternative graphons called graphon bases for any given graphon. By utilizing a linear combination of these graphon bases, we can efficiently approximate W. This theoretical finding forms the basis of our proposed model, as it enables effective learning of the graphon bases and their associated coefficients. Compared with existing algorithms, G-Tuning demonstrates an average improvement of 0.5% and 2.6% on in-domain and out-of-domain transfer learning experiments, respectively.
Graph clustering is a fundamental and challenging task in the field of graph mining where the objective is to group the nodes into clusters taking into consideration the topology of the graph. It has several applications in diverse domains spanning social network analysis, recommender systems, computer vision, and bioinformatics. In this work, we propose a novel method, DGCluster, which primarily optimizes the modularity objective using graph neural networks and scales linearly with the graph size. Our method does not require the number of clusters to be specified as a part of the input and can also leverage the availability of auxiliary node level information. We extensively test DGCluster on several real-world datasets of varying sizes, across multiple popular cluster quality metrics. Our approach consistently outperforms the state-of-the-art methods, demonstrating significant performance gains in almost all settings.
Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised serious concerns regarding their trustworthiness, including susceptibility to distribution shift, biases towards certain populations, and lack of explainability. Recently, integrating causal learning techniques into GNNs has sparked numerous ground-breaking studies since many GNN trustworthiness issues can be alleviated by capturing the underlying data causality rather than superficial correlations. In this survey, we comprehensively review recent research efforts on Causality-Inspired GNNs (CIGNNs). Specifically, we first employ causal tools to analyze the primary trustworthiness risks of existing GNNs, underscoring the necessity for GNNs to comprehend the causal mechanisms within graph data. Moreover, we introduce a taxonomy of CIGNNs based on the type of causal learning capability they are equipped with, i.e., causal reasoning and causal representation learning. Besides, we systematically introduce typical methods within each category and discuss how they mitigate trustworthiness risks. Finally, we summarize useful resources and discuss several future directions, hoping to shed light on new research opportunities in this emerging field. The representative papers, along with open-source data and codes, are available in https://github.com/usail-hkust/Causality-Inspired-GNNs.
User modeling (UM) aims to discover patterns or learn representations from user data about the characteristics of a specific user, such as profile, preference, and personality. The user models enable personalization and suspiciousness detection in many online applications such as recommendation, education, and healthcare. Two common types of user data are text and graph, as the data usually contain a large amount of user-generated content (UGC) and online interactions. The research of text and graph mining is developing rapidly, contributing many notable solutions in the past two decades. Recently, large language models (LLMs) have shown superior performance on generating, understanding, and even reasoning over text data. The approaches of user modeling have been equipped with LLMs and soon become outstanding. This article summarizes existing research about how and why LLMs are great tools of modeling and understanding UGC. Then it reviews a few categories of large language models for user modeling (LLM-UM) approaches that integrate the LLMs with text and graph-based methods in different ways. Then it introduces specific LLM-UM techniques for a variety of UM applications. Finally, it presents remaining challenges and future directions in the LLM-UM research. We maintain the reading list at: https://github.com/TamSiuhin/LLM-UM-Reading
The rapid development of Internet technology has given rise to a vast amount of graph-structured data. Graph Neural Networks (GNNs), as an effective method for various graph mining tasks, incurs substantial computational resource costs when dealing with large-scale graph data. A data-centric manner solution is proposed to condense the large graph dataset into a smaller one without sacrificing the predictive performance of GNNs. However, existing efforts condense graph-structured data through a computational intensive bi-level optimization architecture also suffer from massive computation costs. In this paper, we propose reforming the graph condensation problem as a Kernel Ridge Regression (KRR) task instead of iteratively training GNNs in the inner loop of bi-level optimization. More specifically, We propose a novel dataset condensation framework (GC-SNTK) for graph-structured data, where a Structure-based Neural Tangent Kernel (SNTK) is developed to capture the topology of graph and serves as the kernel function in KRR paradigm. Comprehensive experiments demonstrate the effectiveness of our proposed model in accelerating graph condensation while maintaining high prediction performance. The source code is available on https://github.com/WANGLin0126/GCSNTK.