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Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

The empirical studies of Graph Neural Networks (GNNs) broadly take the original node feature and adjacency relationship as singleview input, ignoring the rich information of multiple graph views. To circumvent this issue, the multiview…

Machine Learning · Computer Science 2022-10-13 Xiaolong Fan , Maoguo Gong , Yue Wu , Mingyang Zhang , Hao Li , Xiangming Jiang

Graph representation learning has shown superior performance in numerous real-world applications, such as finance and social networks. Nevertheless, most existing works might make discriminatory predictions due to insufficient attention to…

Machine Learning · Computer Science 2024-09-05 Ziyi Zhang , Mingxuan Ouyang , Wanyu Lin , Hao Lan , Lei Yang

This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations…

Machine Learning · Computer Science 2023-04-25 Wei Ju , Xiao Luo , Meng Qu , Yifan Wang , Chong Chen , Minghua Deng , Xian-Sheng Hua , Ming Zhang

Developing interpretable models for neurodevelopmental disorders (NDDs) diagnosis presents significant challenges in effectively encoding, decoding, and integrating multimodal neuroimaging data. While many existing machine learning…

Computer Vision and Pattern Recognition · Computer Science 2026-04-24 Yueyang Li , Lei Chen , Wenhao Dong , Shengyu Gong , Zijian Kang , Boyang Wei , Weiming Zeng , Hongjie Yan , Lingbin Bian , Zhiguo Zhang , Wai Ting Siok , Nizhuan Wang

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

Node representation learning, such as Graph Neural Networks (GNNs), has emerged as a pivotal method in machine learning. The demand for reliable explanation generation surges, yet unsupervised models remain underexplored. To bridge this…

Machine Learning · Computer Science 2026-05-19 Hyunju Kang , Geonhee Han , Hogun Park

Deep representation learning on non-Euclidean data types, such as graphs, has gained significant attention in recent years. Invent of graph neural networks has improved the state-of-the-art for both node and the entire graph representation…

Machine Learning · Computer Science 2020-06-09 Sambaran Bandyopadhyay , Manasvi Aggarwal , M. Narasimha Murty

This paper studies learning the representations of whole graphs in both unsupervised and semi-supervised scenarios. Graph-level representations are critical in a variety of real-world applications such as predicting the properties of…

Machine Learning · Computer Science 2020-01-20 Fan-Yun Sun , Jordan Hoffmann , Vikas Verma , Jian Tang

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

The Information Bottleneck (IB) principle offers an information-theoretic framework for analyzing the training process of deep neural networks (DNNs). Its essence lies in tracking the dynamics of two mutual information (MI) values: between…

Machine Learning · Computer Science 2024-05-10 Ivan Butakov , Alexander Tolmachev , Sofia Malanchuk , Anna Neopryatnaya , Alexey Frolov , Kirill Andreev

Graph neural networks~(GNNs) apply deep learning techniques to graph-structured data and have achieved promising performance in graph representation learning. However, existing GNNs rely heavily on enough labels or well-designed negative…

Machine Learning · Computer Science 2020-11-13 Feihu Che , Guohua Yang , Dawei Zhang , Jianhua Tao , Pengpeng Shao , Tong Liu

Graph out-of-distribution (OOD) generalization remains a major challenge in graph learning since graph neural networks (GNNs) often suffer from severe performance degradation under distribution shifts. Invariant learning, aiming to extract…

Machine Learning · Computer Science 2025-02-14 Wenyu Mao , Jiancan Wu , Haoyang Liu , Yongduo Sui , Xiang Wang

Enhancing the interpretability of graph neural networks (GNNs) is crucial to ensure their safe and fair deployment. Recent work has introduced self-explainable GNNs that generate explanations as part of training, improving both faithfulness…

Machine Learning · Computer Science 2025-08-18 Fanzhen Liu , Xiaoxiao Ma , Jian Yang , Alsharif Abuadbba , Kristen Moore , Surya Nepal , Cecile Paris , Quan Z. Sheng , Jia Wu

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

The success of Graph Neural Networks (GNN) in learning on non-Euclidean data arouses many subtopics, such as Label-inputted GNN (LGNN) and Implicit GNN (IGNN). LGNN, explicitly inputting supervising information (a.k.a. labels) in GNN,…

Machine Learning · Computer Science 2023-06-01 Yi Luo , Guiduo Duan , Guangchun Luo , Aiguo Chen

The Information Bottleneck (IB) method is an information theoretical framework to design a parsimonious and tunable feature-extraction mechanism, such that the extracted features are maximally relevant to a specific learning or inference…

Signal Processing · Electrical Eng. & Systems 2024-04-17 Francesco Binucci , Paolo Banelli , Paolo Di Lorenzo , Sergio Barbarossa

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Deep neural networks suffer from poor generalization to unseen environments when the underlying data distribution is different from that in the training set. By learning minimum sufficient representations from training data, the information…

Machine Learning · Computer Science 2021-10-13 Francesco Alesiani , Shujian Yu , Xi Yu

We introduce a novel approach to graph-level representation learning, which is to embed an entire graph into a vector space where the embeddings of two graphs preserve their graph-graph proximity. Our approach, UGRAPHEMB, is a general…

Machine Learning · Computer Science 2019-06-04 Yunsheng Bai , Hao Ding , Yang Qiao , Agustin Marinovic , Ken Gu , Ting Chen , Yizhou Sun , Wei Wang