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Hypergraphs are characterized by complex topological structure, representing higher-order interactions among multiple entities through hyperedges. Lately, hypergraph-based deep learning methods to learn informative data representations for…

Machine Learning · Computer Science 2024-09-30 Adrián Bazaga , Pietro Liò , Gos Micklem

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the…

Machine Learning · Computer Science 2026-05-06 Rishi Raj Sahoo , Subhankar Mishra

We present a graph neural network model for solving graph-to-graph learning problems. Most deep learning on graphs considers ``simple'' problems such as graph classification or regressing real-valued graph properties. For such tasks, the…

Machine Learning · Computer Science 2021-06-08 Guan Wang , Francois Bernard Lauze , Aasa Feragen

Graph representation learning (GRL) methods, such as graph neural networks and graph transformer models, have been successfully used to analyze graph-structured data, mainly focusing on node classification and link prediction tasks.…

Machine Learning · Computer Science 2023-08-21 Van Thuy Hoang , O-Joun Lee

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Graph Transformers (GTs) have demonstrated significant advantages in graph representation learning through their global attention mechanisms. However, the self-attention mechanism in GTs tends to neglect the inductive biases inherent in…

Machine Learning · Computer Science 2024-12-04 Lei Yu , Hongyang Chen , Jingsong Lv , Linyao Yang

Prior highly-tuned human parsing models tend to fit towards each dataset in a specific domain or with discrepant label granularity, and can hardly be adapted to other human parsing tasks without extensive re-training. In this paper, we aim…

Computer Vision and Pattern Recognition · Computer Science 2019-04-10 Ke Gong , Yiming Gao , Xiaodan Liang , Xiaohui Shen , Meng Wang , Liang Lin

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Retrosynthesis prediction is one of the fundamental challenges in organic chemistry and related fields. The goal is to find reactants molecules that can synthesize product molecules. To solve this task, we propose a new graph-to-graph…

Quantitative Methods · Quantitative Biology 2022-04-20 Zaiyun Lin , Shiqiu Yin , Lei Shi , Wenbiao Zhou , YingSheng Zhang

Graph Attention Networks (GATs) have emerged as powerful models for learning expressive representations from such data by adaptively weighting neighboring nodes through attention mechanisms. However, most existing approaches primarily rely…

Machine Learning · Computer Science 2026-02-05 Farshad Noravesh , Reza Haffari , Layki Soon , Arghya Pal

Unsupervised graph domain adaptation (UGDA) focuses on transferring knowledge from labeled source graph to unlabeled target graph under domain discrepancies. Most existing UGDA methods are designed to adapt information from a single source…

Machine Learning · Computer Science 2025-02-06 Zhen Zhang , Bingsheng He

Graph learning has become essential in various domains, including recommendation systems and social network analysis. Graph Neural Networks (GNNs) have emerged as promising techniques for encoding structural information and improving…

Machine Learning · Computer Science 2024-10-10 Lianghao Xia , Ben Kao , Chao Huang

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not…

Machine Learning · Computer Science 2021-10-28 Eli Chien , Jianhao Peng , Pan Li , Olgica Milenkovic

Conversations have become a critical data format on social media platforms. Understanding conversation from emotion, content and other aspects also attracts increasing attention from researchers due to its widespread application in…

Machine Learning · Computer Science 2023-01-05 Zheng Lian , Lan Chen , Licai Sun , Bin Liu , Jianhua Tao

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models…

Machine Learning · Computer Science 2022-06-20 Siqi Miao , Miaoyuan Liu , Pan Li

Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for…

Computer Vision and Pattern Recognition · Computer Science 2025-10-30 Xinjian Zhao , Wei Pang , Zhongkai Xue , Xiangru Jian , Lei Zhang , Yaoyao Xu , Xiaozhuang Song , Shu Wu , Tianshu Yu

Graphs are a central representation in biomedical research, capturing molecular interaction networks, gene regulatory circuits, cell--cell communication maps, and knowledge graphs. Despite their importance, currently there is not a broadly…

Machine Learning · Computer Science 2026-04-09 Sakib Mostafa , Lei Xing , Md. Tauhidul Islam

Graph foundation models (GFM) aim to acquire transferable knowledge by pre-training on diverse graphs, which can be adapted to various downstream tasks. However, domain shift in graphs is inherently two-dimensional: graphs differ not only…

Computation and Language · Computer Science 2026-03-12 Xingtong Yu , Shenghua Ye , Ruijuan Liang , Chang Zhou , Hong Cheng , Xinming Zhang , Yuan Fang