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Graphs are ubiquitous for modeling complex relationships between objects across various fields. Graph neural networks (GNNs) have become a mainstream technique for graph-based applications, but their performance heavily relies on abundant…

机器学习 · 计算机科学 2025-02-27 Xingtong Yu , Jie Zhang , Yuan Fang , Renhe Jiang

Learning representations of algorithms is an emerging area of machine learning, seeking to bridge concepts from neural networks with classical algorithms. Several important works have investigated whether neural networks can effectively…

Graph self-supervised learning (SSL) holds considerable promise for mining and learning with graph-structured data. Yet, a significant challenge in graph SSL lies in the feature discrepancy among graphs across different domains. In this…

机器学习 · 计算机科学 2024-06-06 Zhenyu Hou , Haozhan Li , Yukuo Cen , Jie Tang , Yuxiao Dong

Graph neural networks have become very popular for machine learning on molecules due to the expressive power of their learnt representations. However, molecular machine learning is a classically low-data regime and it isn't clear that graph…

机器学习 · 计算机科学 2020-11-25 Aneesh Pappu , Brooks Paige

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

机器学习 · 计算机科学 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

机器学习 · 计算机科学 2021-09-29 Yaoman Li , Irwin King

To develop a preliminary understanding towards Graph Foundation Models, we study the extent to which pretrained Graph Neural Networks can be applied across datasets, an effort requiring to be agnostic to dataset-specific features and their…

Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

机器学习 · 计算机科学 2025-09-10 Katherine Berry , Liang Cheng

Graphs have emerged as a natural choice to represent and analyze the intricate patterns and rich information of the Web, enabling applications such as online page classification and social recommendation. The prevailing "pre-train,…

机器学习 · 计算机科学 2025-02-06 Yihong Ma , Ning Yan , Jiayu Li , Masood Mortazavi , Nitesh V. Chawla

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

机器学习 · 计算机科学 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Graph Neural Networks (GNNs) are popular for graph machine learning and have shown great results on wide node classification tasks. Yet, they are less popular for practical deployments in the industry owing to their scalability challenges…

机器学习 · 计算机科学 2022-03-24 Shichang Zhang , Yozen Liu , Yizhou Sun , Neil Shah

Graph Neural Networks have emerged as an effective machine learning tool for multi-disciplinary tasks such as pharmaceutical molecule classification and chemical reaction prediction, because they can model non-euclidean relationships…

机器学习 · 计算机科学 2023-07-27 Tongya Zheng , Tianli Zhang , Qingzheng Guan , Wenjie Huang , Zunlei Feng , Mingli Song , Chun Chen

In recent years, graph neural networks (GNNs) have facilitated the development of graph data mining. However, training GNNs requires sufficient labeled task-specific data, which is expensive and sometimes unavailable. To be less dependent…

机器学习 · 计算机科学 2025-10-15 Shengyin Sun , Chen Ma , Jiehao Chen

Cross features play an important role in click-through rate (CTR) prediction. Most of the existing methods adopt a DNN-based model to capture the cross features in an implicit manner. These implicit methods may lead to a sub-optimized…

人工智能 · 计算机科学 2021-05-18 Feng Li , Bencheng Yan , Qingqing Long , Pengjie Wang , Wei Lin , Jian Xu , Bo Zheng

Large-scale "pre-train and prompt learning" paradigms have demonstrated remarkable adaptability, enabling broad applications across diverse domains such as question answering, image recognition, and multimodal retrieval. This approach fully…

Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate…

机器学习 · 计算机科学 2025-06-26 Yuyang Zhang , Xu Shen , Yu Xie , Ka-Chun Wong , Weidun Xie , Chengbin Peng

Graph neural networks (GNNs) are powerful tools for learning from graph-structured data but often produce biased predictions with respect to sensitive attributes. Fairness-aware GNNs have been actively studied for mitigating biased…

机器学习 · 计算机科学 2025-10-22 Yuya Sasaki

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

机器学习 · 计算机科学 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

分布式、并行与集群计算 · 计算机科学 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

机器学习 · 计算机科学 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu