Bingheng Li

Haitao Mao, Juanhui Li, Harry Shomer et al.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

Bingheng Li, Fushuo Huo

Blind image quality assessment (BIQA) of user generated content (UGC) suffers from the range effect which indicates that on the overall quality range, mean opinion score (MOS) and predicted MOS (pMOS) are well correlated; focusing on a particular range, the correlation is lower. The reason for the range effect is that the predicted deviations both in a wide range and in a narrow range destroy the uniformity between MOS and pMOS. To tackle this problem, a novel method is proposed from coarse-grained metric to fine-grained prediction. Firstly, we design a rank-and-gradient loss for coarse-grained metric. The loss keeps the order and grad consistency between pMOS and MOS, thereby reducing the predicted deviation in a wide range. Secondly, we propose multi-level tolerance loss to make fine-grained prediction. The loss is constrained by a decreasing threshold to limite the predicted deviation in narrower and narrower ranges. Finally, we design a feedback network to conduct the coarse-to-fine assessment. On the one hand, the network adopts feedback blocks to process multi-scale distortion features iteratively and on the other hand, it fuses non-local context feature to the output of each iteration to acquire more quality-aware feature representation. Experimental results demonstrate that the proposed method can alleviate the range effect compared to the state-of-the-art methods effectively.

Xuanting Xie, Zhaochen Guo, Bingheng Li et al.

Chain-of-Thought (CoT) prompting has shown promise in enhancing the reasoning capabilities of large language models (LLMs) on text-attributed graphs (TAGs). This work reframes CoT-based graph learning through the principle of clustering as reasoning, offering a $k$-means interpretation of how iterative reasoning operates over graph-structured data. We observe that existing graph CoT methods rely on disjoint architectures and fixed graph representations, limiting step-by-step semantic-topological interaction and interpretability. To overcome this limitation, we propose a unified framework named KCoT that integrates CoT reasoning with graph representation learning. Our key theoretical result reveals a formal mathematical correspondence between a Transformer block and the $k$-means algorithm, allowing reasoning to be interpreted as iterative assignment and update steps. Based on this insight, we introduce a Semantic Discriminating Prompt that explicitly formulates these steps as structured CoT reasoning, together with a structure-grounded alignment strategy to fuse topological priors with evolving thought-conditioned representations. Experiments on standard benchmarks demonstrate consistent improvements over state-of-the-art methods, validating clustering as a principled mechanism for CoT-based graph learning.

Bingheng Li, Erlin Pan, Zhao Kang

Recently, many carefully crafted graph representation learning methods have achieved impressive performance on either strong heterophilic or homophilic graphs, but not both. Therefore, they are incapable of generalizing well across real-world graphs with different levels of homophily. This is attributed to their neglect of homophily in heterophilic graphs, and vice versa. In this paper, we propose a two-fold filtering mechanism to extract homophily in heterophilic graphs and vice versa. In particular, we extend the graph heat equation to perform heterophilic aggregation of global information from a long distance. The resultant filter can be exactly approximated by the Possion-Charlier (PC) polynomials. To further exploit information at multiple orders, we introduce a powerful graph convolution PC-Conv and its instantiation PCNet for the node classification task. Compared with state-of-the-art GNNs, PCNet shows competitive performance on well-known homophilic and heterophilic graphs. Our implementation is available at https://github.com/uestclbh/PC-Conv.

Xiaowei Qian, Zhimeng Guo, Jialiang Li et al.

Fair graph learning plays a pivotal role in numerous practical applications. Recently, many fair graph learning methods have been proposed; however, their evaluation often relies on poorly constructed semi-synthetic datasets or substandard real-world datasets. In such cases, even a basic Multilayer Perceptron (MLP) can outperform Graph Neural Networks (GNNs) in both utility and fairness. In this work, we illustrate that many datasets fail to provide meaningful information in the edges, which may challenge the necessity of using graph structures in these problems. To address these issues, we develop and introduce a collection of synthetic, semi-synthetic, and real-world datasets that fulfill a broad spectrum of requirements. These datasets are thoughtfully designed to include relevant graph structures and bias information crucial for the fair evaluation of models. The proposed synthetic and semi-synthetic datasets offer the flexibility to create data with controllable bias parameters, thereby enabling the generation of desired datasets with user-defined bias values with ease. Moreover, we conduct systematic evaluations of these proposed datasets and establish a unified evaluation approach for fair graph learning models. Our extensive experimental results with fair graph learning methods across our datasets demonstrate their effectiveness in benchmarking the performance of these methods. Our datasets and the code for reproducing our experiments are available at https://github.com/XweiQ/Benchmark-GraphFairness.

Zhikai Chen, Haitao Mao, Jingzhe Liu et al.

Given the ubiquity of graph data and its applications in diverse domains, building a Graph Foundation Model (GFM) that can work well across different graphs and tasks with a unified backbone has recently garnered significant interests. A major obstacle to achieving this goal stems from the fact that graphs from different domains often exhibit diverse node features. Inspired by multi-modal models that align different modalities with natural language, the text has recently been adopted to provide a unified feature space for diverse graphs. Despite the great potential of these text-space GFMs, current research in this field is hampered by two problems. First, the absence of a comprehensive benchmark with unified problem settings hinders a clear understanding of the comparative effectiveness and practical value of different text-space GFMs. Second, there is a lack of sufficient datasets to thoroughly explore the methods' full potential and verify their effectiveness across diverse settings. To address these issues, we conduct a comprehensive benchmark providing novel text-space datasets and comprehensive evaluation under unified problem settings. Empirical results provide new insights and inspire future research directions. Our code and data are publicly available from \url{https://github.com/CurryTang/TSGFM}.

Haoyu Han, Li Ma, Hanbing Wang et al.

Sequential recommendation has increasingly shifted toward generative recommenders that combine sequential patterns with semantic item information. Yet these methods are often evaluated on a small set of widely used benchmarks, raising a key question: do these benchmarks actually require the advanced modeling capabilities that modern generative recommenders claim to provide? We conduct a benchmark audit with an intentionally simple graph heuristic. Starting from only the last one or two interacted items, it retrieves candidates from a few-hop item-transition graph and ranks them by item-feature similarity. Despite using no sequence encoder, generative objective, or training, this heuristic matches or outperforms many modern baselines, with relative NDCG@10 improvements of 38.10% and 44.18% over the best competing baseline on Amazon Review Sports and CDs. We show that this behavior reflects shortcut solvability rather than an artifact of one heuristic. We identify three shortcut structures that can make next-item prediction easier than expected: low-branching local transitions, feature-smooth transitions, and limited dependence on long user histories. These shortcuts need not appear together; even one or two strong signals can make simple local retrieval highly competitive, while weakening them makes the benefits of more sophisticated models clearer. Across 14 datasets, model rankings vary substantially with dataset properties, yet the heuristic remains competitive on 10 of them. Our findings suggest that strong performance on standard benchmarks does not always demonstrate advanced sequential, semantic, or generative modeling ability. We call for more careful dataset selection and dataset-level diagnostic analysis when using benchmarks to support claims about new recommendation models.

Zhao Kang, Xuanting Xie, Bingheng Li et al.

In today's data-driven digital era, the amount as well as complexity, such as multi-view, non-Euclidean, and multi-relational, of the collected data are growing exponentially or even faster. Clustering, which unsupervisely extracts valid knowledge from data, is extremely useful in practice. However, existing methods are independently developed to handle one particular challenge at the expense of the others. In this work, we propose a simple but effective framework for complex data clustering (CDC) that can efficiently process different types of data with linear complexity. We first utilize graph filtering to fuse geometry structure and attribute information. We then reduce the complexity with high-quality anchors that are adaptively learned via a novel similarity-preserving regularizer. We illustrate the cluster-ability of our proposed method theoretically and experimentally. In particular, we deploy CDC to graph data of size 111M.

Xiaowei Qian, Bingheng Li, Zhao Kang

Multi-relational clustering is a challenging task due to the fact that diverse semantic information conveyed in multi-layer graphs is difficult to extract and fuse. Recent methods integrate topology structure and node attribute information through graph filtering. However, they often use a low-pass filter without fully considering the correlation among multiple graphs. To overcome this drawback, we propose to learn a graph filter motivated by the theoretical analysis of Barlow Twins. We find that input with a negative semi-definite inner product provides a lower bound for Barlow Twins loss, which prevents it from reaching a better solution. We thus learn a filter that yields an upper bound for Barlow Twins. Afterward, we design a simple clustering architecture and demonstrate its state-of-the-art performance on four benchmark datasets.

Shenglai Zeng, Jiankun Zhang, Bingheng Li et al.

Retrieval-Augmented Generation (RAG) systems have shown promise in enhancing the performance of Large Language Models (LLMs). However, these systems face challenges in effectively integrating external knowledge with the LLM's internal knowledge, often leading to issues with misleading or unhelpful information. This work aims to provide a systematic study on knowledge checking in RAG systems. We conduct a comprehensive analysis of LLM representation behaviors and demonstrate the significance of using representations in knowledge checking. Motivated by the findings, we further develop representation-based classifiers for knowledge filtering. We show substantial improvements in RAG performance, even when dealing with noisy knowledge databases. Our study provides new insights into leveraging LLM representations for enhancing the reliability and effectiveness of RAG systems.

Bingheng Li, Xuanting Xie, Haoxiang Lei et al.

Graph Neural Networks (GNNs) have garnered significant attention for their success in learning the representation of homophilic or heterophilic graphs. However, they cannot generalize well to real-world graphs with different levels of homophily. In response, the Possion-Charlier Network (PCNet) \cite{li2024pc}, the previous work, allows graph representation to be learned from heterophily to homophily. Although PCNet alleviates the heterophily issue, there remain some challenges in further improving the efficacy and efficiency. In this paper, we simplify PCNet and enhance its robustness. We first extend the filter order to continuous values and reduce its parameters. Two variants with adaptive neighborhood sizes are implemented. Theoretical analysis shows our model's robustness to graph structure perturbations or adversarial attacks. We validate our approach through semi-supervised learning tasks on various datasets representing both homophilic and heterophilic graphs.

Xuanting Xie, Bingheng Li, Erlin Pan et al.

Most existing graph clustering methods primarily focus on exploiting topological structure, often neglecting the ``missing-half" node feature information, especially how these features can enhance clustering performance. This issue is further compounded by the challenges associated with high-dimensional features. Feature selection in graph clustering is particularly difficult because it requires simultaneously discovering clusters and identifying the relevant features for these clusters. To address this gap, we introduce a novel paradigm called ``one node one model", which builds an exclusive model for each node and defines the node label as a combination of predictions for node groups. Specifically, the proposed ``Feature Personalized Graph Clustering (FPGC)" method identifies cluster-relevant features for each node using a squeeze-and-excitation block, integrating these features into each model to form the final representations. Additionally, the concept of feature cross is developed as a data augmentation technique to learn low-order feature interactions. Extensive experimental results demonstrate that FPGC outperforms state-of-the-art clustering methods. Moreover, the plug-and-play nature of our method provides a versatile solution to enhance GNN-based models from a feature perspective.

Jingzhe Liu, Haitao Mao, Zhikai Chen et al.

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from scratch on each dataset, leading to an expertise-intensive process with difficulty in generalizing across graphs from different domains. Therefore, it can be hard for practitioners to infer which GNN model can generalize well to graphs from their domains. To address this challenge, we propose a novel cross-domain pretraining framework, "one model for one graph," which overcomes the limitations of previous approaches that failed to use a single GNN to capture diverse graph patterns across domains with significant gaps. Specifically, we pretrain a bank of expert models, with each one corresponding to a specific dataset. When inferring to a new graph, gating functions choose a subset of experts to effectively integrate prior model knowledge while avoiding negative transfer. Extensive experiments consistently demonstrate the superiority of our proposed method on both link prediction and node classification tasks.

Linxin Yang, Bingheng Li, Tian Ding et al.

Quadratic programs (QPs) arise in various domains such as machine learning, finance, and control. Recently, learning-enhanced primal-dual hybrid gradient (PDHG) methods have shown great potential in addressing large-scale linear programs; however, this approach has not been extended to QPs. In this work, we focus on unrolling "PDQP", a PDHG algorithm specialized for convex QPs. Specifically, we propose a neural network model called "PDQP-net" to learn optimal QP solutions. Theoretically, we demonstrate that a PDQP-net of polynomial size can align with the PDQP algorithm, returning optimal primal-dual solution pairs. We propose an unsupervised method that incorporates KKT conditions into the loss function. Unlike the standard learning-to-optimize framework that requires optimization solutions generated by solvers, our unsupervised method adjusts the network weights directly from the evaluation of the primal-dual gap. This method has two benefits over supervised learning: first, it helps generate better primal-dual gap since the primal-dual gap is in the objective function; second, it does not require solvers. We show that PDQP-net trained in this unsupervised manner can effectively approximate optimal QP solutions. Extensive numerical experiments confirm our findings, indicating that using PDQP-net predictions to warm-start PDQP can achieve up to 45% acceleration on QP instances. Moreover, it achieves 14% to 31% acceleration on out-of-distribution instances.

Ruiyi Fang, Bingheng Li, Zhao Kang et al.

Graph Domain Adaptation (GDA) addresses a pressing challenge in cross-network learning, particularly pertinent due to the absence of labeled data in real-world graph datasets. Recent studies attempted to learn domain invariant representations by eliminating structural shifts between graphs. In this work, we show that existing methodologies have overlooked the significance of the graph node attribute, a pivotal factor for graph domain alignment. Specifically, we first reveal the impact of node attributes for GDA by theoretically proving that in addition to the graph structural divergence between the domains, the node attribute discrepancy also plays a critical role in GDA. Moreover, we also empirically show that the attribute shift is more substantial than the topology shift, which further underscores the importance of node attribute alignment in GDA. Inspired by this finding, a novel cross-channel module is developed to fuse and align both views between the source and target graphs for GDA. Experimental results on a variety of benchmarks verify the effectiveness of our method.

Xuanting Xie, Erlin Pan, Zhao Kang et al.

Graph clustering, an important unsupervised problem, has been shown to be more resistant to advances in Graph Neural Networks (GNNs). In addition, almost all clustering methods focus on homophilic graphs and ignore heterophily. This significantly limits their applicability in practice, since real-world graphs exhibit a structural disparity and cannot simply be classified as homophily and heterophily. Thus, a principled way to handle practical graphs is urgently needed. To fill this gap, we provide a novel solution with theoretical support. Interestingly, we find that most homophilic and heterophilic edges can be correctly identified on the basis of neighbor information. Motivated by this finding, we construct two graphs that are highly homophilic and heterophilic, respectively. They are used to build low-pass and high-pass filters to capture holistic information. Important features are further enhanced by the squeeze-and-excitation block. We validate our approach through extensive experiments on both homophilic and heterophilic graphs. Empirical results demonstrate the superiority of our method compared to state-of-the-art clustering methods.

Jingzhe Liu, Zhigang Hua, Yan Xie et al.

Temporal Graph Neural Networks (TGNNs) have gained growing attention for modeling and predicting structures in temporal graphs. However, existing TGNNs primarily focus on pairwise interactions while overlooking higher-order structures that are integral to link formation and evolution in real-world temporal graphs. Meanwhile, these models often suffer from efficiency bottlenecks, further limiting their expressive power. To tackle these challenges, we propose a Higher-order structure Temporal Graph Neural Network, which incorporates hypergraph representations into temporal graph learning. In particular, we develop an algorithm to identify the underlying higher-order structures, enhancing the model's ability to capture the group interactions. Furthermore, by aggregating multiple edge features into hyperedge representations, HTGN effectively reduces memory cost during training. We theoretically demonstrate the enhanced expressiveness of our approach and validate its effectiveness and efficiency through extensive experiments on various real-world temporal graphs. Experimental results show that HTGN achieves superior performance on dynamic link prediction while reducing memory costs by up to 50\% compared to existing methods.

Bingheng Li, Zhikai Chen, Haoyu Han et al.

A fundamental challenge in understanding graph neural networks (GNNs) lies in characterizing their optimization dynamics and loss landscape geometry, critical for improving interpretability and robustness. While mode connectivity, a lens for analyzing geometric properties of loss landscapes has proven insightful for other deep learning architectures, its implications for GNNs remain unexplored. This work presents the first investigation of mode connectivity in GNNs. We uncover that GNNs exhibit distinct non-linear mode connectivity, diverging from patterns observed in fully-connected networks or CNNs. Crucially, we demonstrate that graph structure, rather than model architecture, dominates this behavior, with graph properties like homophily correlating with mode connectivity patterns. We further establish a link between mode connectivity and generalization, proposing a generalization bound based on loss barriers and revealing its utility as a diagnostic tool. Our findings further bridge theoretical insights with practical implications: they rationalize domain alignment strategies in graph learning and provide a foundation for refining GNN training paradigms.

Xuanting Xie, Bingheng Li, Erlin Pan et al.

Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains underexplored and underperforming compared to Graph Neural Networks (GNNs), particularly in the graph clustering task. GNN tends to overemphasize neighborhood aggregation, leading to a homogenization of node representations. Conversely, Transformer tends to over globalize, highlighting distant nodes at the expense of meaningful local patterns. This dichotomy raises a key question: Is attention inherently redundant for unsupervised graph learning? To address this, we conduct a comprehensive empirical analysis, uncovering the complementary weaknesses of GNN and Transformer in graph clustering. Motivated by these insights, we propose the Attentive Graph Clustering Network (AGCN) a novel architecture that reinterprets the notion that graph is attention. AGCN directly embeds the attention mechanism into the graph structure, enabling effective global information extraction while maintaining sensitivity to local topological cues. Our framework incorporates theoretical analysis to contrast AGCN behavior with GNN and Transformer and introduces two innovations: (1) a KV cache mechanism to improve computational efficiency, and (2) a pairwise margin contrastive loss to boost the discriminative capacity of the attention space. Extensive experimental results demonstrate that AGCN outperforms state-of-the-art methods.

Xuanting Xie, Bingheng Li, Erlin Pan et al.

Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum without principled reasoning behind the selection. This rigidity, especially in the presence of heterophily, often leads to poor, problem dependent performance. Although some attempts address this by designing more sophisticated aggregation functions, these methods tend to rely heavily on labeled data, which is often scarce in real-world tasks. In this work, we propose a novel unsupervised framework, "Aggregation-aware Multilayer Perceptron" (AMLP), which shifts the paradigm from directly crafting aggregation functions to making MLP adaptive to aggregation. Our lightweight approach consists of two key steps: First, we utilize a graph reconstruction method that facilitates high-order grouping effects, and second, we employ a single-layer network to encode varying degrees of heterophily, thereby improving the capacity and applicability of the model. Extensive experiments on node clustering and classification demonstrate the superior performance of AMLP, highlighting its potential for diverse graph learning scenarios.

Bingheng Li, Linxin Yang, Yupeng Chen et al.

Solving large-scale linear programming (LP) problems is an important task in various areas such as communication networks, power systems, finance and logistics. Recently, two distinct approaches have emerged to expedite LP solving: (i) First-order methods (FOMs); (ii) Learning to optimize (L2O). In this work, we propose an FOM-unrolled neural network (NN) called PDHG-Net, and propose a two-stage L2O method to solve large-scale LP problems. The new architecture PDHG-Net is designed by unrolling the recently emerged PDHG method into a neural network, combined with channel-expansion techniques borrowed from graph neural networks. We prove that the proposed PDHG-Net can recover PDHG algorithm, thus can approximate optimal solutions of LP instances with a polynomial number of neurons. We propose a two-stage inference approach: first use PDHG-Net to generate an approximate solution, and then apply PDHG algorithm to further improve the solution. Experiments show that our approach can significantly accelerate LP solving, achieving up to a 3$\times$ speedup compared to FOMs for large-scale LP problems.