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The pretrain-transfer paradigm, which underpins the success of large language models (LLMs), has demonstrated the immense power of creating foundation models that learn generalizable representations from vast datasets. However, extending…

Machine Learning · Computer Science 2025-09-30 Yunhao Liang , Pujun Zhang , Yuan Qu , Shaochong Lin , Zuo-jun Max Shen

We present a framework of Training Free Graph Matching (TFGM) to boost the performance of Graph Neural Networks (GNNs) based graph matching, providing a fast promising solution without training (training-free). TFGM provides four widely…

Machine Learning · Computer Science 2022-02-15 Zhiyuan Liu , Yixin Cao , Fuli Feng , Xiang Wang , Jie Tang , Kenji Kawaguchi , Tat-Seng Chua

Graph neural networks (GNNs) have been widely applied in the recommendation tasks and have obtained very appealing performance. However, most GNN-based recommendation methods suffer from the problem of data sparsity in practice. Meanwhile,…

Information Retrieval · Computer Science 2021-12-15 Yiqi Wang , Chaozhuo Li , Zheng Liu , Mingzheng Li , Jiliang Tang , Xing Xie , Lei Chen , Philip S. Yu

Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable…

Machine Learning · Computer Science 2023-12-13 Xinyi Gao , Wentao Zhang , Junliang Yu , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs…

Machine Learning · Computer Science 2025-10-03 Tobias Kreiman , Yutong Bai , Fadi Atieh , Elizabeth Weaver , Eric Qu , Aditi S. Krishnapriyan

Despite the remarkable success of graph neural networks (GNNs) in modeling graph-structured data, like other machine learning models, GNNs are also susceptible to making biased predictions based on sensitive attributes, such as race and…

Machine Learning · Computer Science 2025-05-23 Cheng Yang , Jixi Liu , Yunhe Yan , Chuan Shi

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

Machine Learning · Computer Science 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya

Graph-structured data exhibit substantial heterogeneity in where their predictive signals originate: in some domains, node-level semantics dominate, while in others, structural patterns play a central role. This structure-semantics…

Computation and Language · Computer Science 2026-04-03 Safal Thapaliya , Zehong Wang , Jiazheng Li , Ziming Li , Yanfang Ye , Chuxu Zhang

Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…

Machine Learning · Computer Science 2025-11-03 Angelica Liguori , Ettore Ritacco , Pietro Sabatino , Annalisa Socievole

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

The advent of the "pre-train, prompt" paradigm has recently extended its generalization ability and data efficiency to graph representation learning, following its achievements in Natural Language Processing (NLP). Initial graph prompt…

Machine Learning · Computer Science 2025-01-20 Jiapeng Zhu , Zichen Ding , Jianxiang Yu , Jiaqi Tan , Xiang Li , Weining Qian

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

The "Graph pre-training and fine-tuning" paradigm has significantly improved Graph Neural Networks(GNNs) by capturing general knowledge without manual annotations for downstream tasks. However, due to the immense gap of data and tasks…

Machine Learning · Computer Science 2024-02-22 Yuchen Yan , Peiyan Zhang , Zheng Fang , Qingqing Long

Recent studies on transfer learning have shown that selectively fine-tuning a subset of layers or customizing different learning rates for each layer can greatly improve robustness to out-of-distribution (OOD) data and retain generalization…

Computer Vision and Pattern Recognition · Computer Science 2023-03-29 Junjiao Tian , Xiaoliang Dai , Chih-Yao Ma , Zecheng He , Yen-Cheng Liu , Zsolt Kira

Fairness-aware GANs (FairGANs) exploit the mechanisms of Generative Adversarial Networks (GANs) to impose fairness on the generated data, freeing them from both disparate impact and disparate treatment. Given the model's advantages and…

Machine Learning · Computer Science 2022-03-14 Beatrice Nobile , Gabriele Santin , Bruno Lepri , Pierpaolo Brutti

Graph In-Context Learning, with the ability to adapt pre-trained graph models to novel and diverse downstream graphs without updating any parameters, has gained much attention in the community. The key to graph in-context learning is to…

Machine Learning · Computer Science 2025-05-06 Rui Lv , Zaixi Zhang , Kai Zhang , Qi Liu , Weibo Gao , Jiawei Liu , Jiaxia Yan , Linan Yue , Fangzhou Yao

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Despite the tremendous success of graph-based learning systems in handling structural data, it has been widely investigated that they are fragile to adversarial attacks on homophilic graph data, where adversaries maliciously modify the…

Machine Learning · Computer Science 2025-09-05 Yulin Zhu , Yuni Lai , Xing Ai , Wai Lun LO , Gaolei Li , Jianhua Li , Di Tang , Xingxing Zhang , Mengpei Yang , Kai Zhou

Machine learning over graphs has recently attracted growing attention due to its ability to analyze and learn complex relations within critical interconnected systems. However, the disparate impact that is amplified by the use of biased…

Machine Learning · Computer Science 2024-02-08 O. Deniz Kose , Yanning Shen