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Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

Machine Learning · Computer Science 2024-11-08 Shuangjie Li , Jiangqing Song , Baoming Zhang , Gaoli Ruan , Junyuan Xie , Chongjun Wang

Representation learning of graph-structured data is challenging because both graph structure and node features carry important information. Graph Neural Networks (GNNs) provide an expressive way to fuse information from network structure…

Machine Learning · Computer Science 2020-10-27 Tailin Wu , Hongyu Ren , Pan Li , Jure Leskovec

Temporal graph learning is crucial for dynamic networks where nodes and edges evolve over time and new nodes continuously join the system. Inductive representation learning in such settings faces two major challenges: effectively…

Machine Learning · Computer Science 2025-08-21 Jiafeng Xiong , Rizos Sakellariou

Subgraph recognition aims at discovering a compressed substructure of a graph that is most informative to the graph property. It can be formulated by optimizing Graph Information Bottleneck (GIB) with a mutual information estimator.…

Machine Learning · Computer Science 2022-04-05 Junchi Yu , Jie Cao , Ran He

Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attributed to the fundamental problem of recognizing a subgraph of…

Machine Learning · Computer Science 2020-10-13 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

To improve the robustness of graph neural networks (GNN), graph structure learning (GSL) has attracted great interest due to the pervasiveness of noise in graph data. Many approaches have been proposed for GSL to jointly learn a clean graph…

Machine Learning · Computer Science 2023-07-06 Shaogao Lv , Gang Wen , Shiyu Liu , Linsen Wei , Ming Li

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

Machine Learning · Computer Science 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

Molecular dynamics simulations offer detailed insights into atomic motions but face timescale limitations. Enhanced sampling methods have addressed these challenges but even with machine learning, they often rely on pre-selected…

Machine Learning · Computer Science 2024-09-19 Ziyue Zou , Dedi Wang , Pratyush Tiwary

The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and…

Machine Learning · Computer Science 2026-05-19 Shen Han , Zhiyao Zhou , Jiawei Chen , Sheng Zhou , Canghong Jin , Hai Lin , Da Zhong Li , Bingde Hu , Can Wang

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc…

Machine Learning · Computer Science 2024-02-08 Jiahua Rao , Jiancong Xie , Hanjing Lin , Shuangjia Zheng , Zhen Wang , Yuedong Yang

The Information Bottleneck (IB) principle offers a compelling theoretical framework to understand how neural networks (NNs) learn. However, its practical utility has been constrained by unresolved theoretical ambiguities and significant…

Machine Learning · Computer Science 2026-02-02 Charles Westphal , Stephen Hailes , Mirco Musolesi

Dynamic Graphs widely exist in the real world, which carry complicated spatial and temporal feature patterns, challenging their representation learning. Dynamic Graph Neural Networks (DGNNs) have shown impressive predictive abilities by…

Machine Learning · Computer Science 2024-04-09 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Cheng Ji , Jianxin Li

In this work, we propose Cell Variational Information Bottleneck Network (cellVIB), a convolutional neural network using information bottleneck mechanism, which can be combined with the latest feedforward network architecture in an…

Computer Vision and Pattern Recognition · Computer Science 2024-04-01 Zhonghua Zhai , Chen Ju , Jinsong Lan , Shuai Xiao

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent…

Machine Learning · Computer Science 2024-02-21 Sangwoo Seo , Sungwon Kim , Chanyoung Park

The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack of interpretation for prediction results, impede further…

Machine Learning · Computer Science 2021-03-23 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

Graph Neural Networks (GNNs) have become a prominent approach for learning from graph-structured data. However, their effectiveness can be significantly compromised when the graph structure is suboptimal. To address this issue, Graph…

Machine Learning · Computer Science 2025-02-20 Shen Han , Zhiyao Zhou , Jiawei Chen , Zhezheng Hao , Sheng Zhou , Gang Wang , Yan Feng , Chun Chen , Can Wang

Due to the superior performance of Graph Neural Networks (GNNs) in various domains, there is an increasing interest in the GNN explanation problem "\emph{which fraction of the input graph is the most crucial to decide the model's…

Machine Learning · Computer Science 2022-07-04 Qinghua Zheng , Jihong Wang , Minnan Luo , Yaoliang Yu , Jundong Li , Lina Yao , Xiaojun Chang

With the rapid emergence of multi-behavior learning in recommender systems, leveraging auxiliary user behaviors has proven effective for mitigating target-behavior data sparsity. Yet auxiliary behavior graphs frequently contain noisy or…

Information Retrieval · Computer Science 2026-05-26 Likang Wu , Zihao Chen , Jianxin Zhang , Sangqi Zhu , Yuanyuan Ge , Haipeng Yang , Lei Zhang

Graph pooling is an essential ingredient of Graph Neural Networks (GNNs) in graph classification and regression tasks. For these tasks, different pooling strategies have been proposed to generate a graph-level representation by downsampling…

Machine Learning · Computer Science 2021-04-28 Kashob Kumar Roy , Amit Roy , A K M Mahbubur Rahman , M Ashraful Amin , Amin Ahsan Ali
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