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Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general…

Machine Learning · Computer Science 2023-05-11 Mingqi Yang , Wenjie Feng , Yanming Shen , Bryan Hooi

The identification of homologous gene families across multiple genomes is a central task in bacterial pangenomics traditionally requiring computationally demanding all-against-all comparisons. PanDelos addresses this challenge with an…

Genomics · Quantitative Biology 2025-10-29 Simone Colli , Emiliano Maresi , Vincenzo Bonnici

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

Machine Learning · Computer Science 2025-09-26 Rahul Khorana

Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it…

Machine Learning · Computer Science 2019-10-18 Tony Duan , Juho Lee

While network science has become an indispensable tool for studying complex systems, the conventional use of pairwise links often shows limitations in describing high-order interactions properly. Hypergraphs, where each edge can connect…

Physics and Society · Physics 2024-12-20 Zhao Li , Jing Zhang , Jiqiang Zhang , Guozhong Zheng , Weiran Cai , Li Chen

Heterogeneous graph neural network has unleashed great potential on graph representation learning and shown superior performance on downstream tasks such as node classification and clustering. Existing heterogeneous graph learning networks…

Machine Learning · Computer Science 2022-11-01 Tiehua Zhang , Yuze Liu , Yao Yao , Youhua Xia , Xin Chen , Xiaowei Huang , Jiong Jin

Designing effective graph neural networks (GNNs) with message passing has two fundamental challenges, i.e., determining optimal message-passing pathways and designing local aggregators. Previous methods of designing optimal pathways are…

Machine Learning · Computer Science 2024-11-01 Junshu Sun , Shuhui Wang , Chenxue Yang , Qingming Huang

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Machine Learning · Computer Science 2021-04-19 Jianxin Li , Hao Peng , Yuwei Cao , Yingtong Dou , Hekai Zhang , Philip S. Yu , Lifang He

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Graph Masked Autoencoders (GMAEs) have emerged as a notable self-supervised learning approach for graph-structured data. Existing GMAE models primarily focus on reconstructing node-level information, categorizing them as single-scale GMAEs.…

Machine Learning · Computer Science 2026-03-19 Chuang Liu , Zelin Yao , Xueqi Ma , Mukun Chen , Luzhi Wang , Jia Wu , Wenbin Hu

Graph neural networks (GNNs) extends the functionality of traditional neural networks to graph-structured data. Similar to CNNs, an optimized design of graph convolution and pooling is key to success. Borrowing ideas from physics, we…

Machine Learning · Computer Science 2022-01-12 Zheng Ma , Junyu Xuan , Yu Guang Wang , Ming Li , Pietro Lio

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism,…

Social and Information Networks · Computer Science 2019-06-11 Fenyu Hu , Yanqiao Zhu , Shu Wu , Liang Wang , Tieniu Tan

Generative self-supervised learning (SSL), especially masked autoencoders, has become one of the most exciting learning paradigms and has shown great potential in handling graph data. However, real-world graphs are always heterogeneous,…

Machine Learning · Computer Science 2023-02-13 Yijun Tian , Kaiwen Dong , Chunhui Zhang , Chuxu Zhang , Nitesh V. Chawla

It plays a fundamental role to compactly represent the visual information towards the optimization of the ultimate utility in myriad visual data centered applications. With numerous approaches proposed to efficiently compress the texture…

Computer Vision and Pattern Recognition · Computer Science 2021-04-20 Shurun Wang , Shiqi Wang , Wenhan Yang , Xinfeng Zhang , Shanshe Wang , Siwei Ma , Wen Gao

Accurate prediction of cancer progression remains a challenge due to the high heterogeneity of molecular omics data across patients. While biologically informed models have improved the interpretability of these predictions, a persistent…

Machine Learning · Computer Science 2026-04-21 Koushik Howlader , Md Tauhidul Islam , Wei Le

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to…

Social and Information Networks · Computer Science 2019-12-19 Kaixiong Zhou , Qingquan Song , Xiao Huang , Daochen Zha , Na Zou , Xia Hu

Graph clustering, an important unsupervised problem, has been shown to be more resistant to advances in Graph Neural Networks (GNNs). In addition, almost all clustering methods focus on homophilic graphs and ignore heterophily. This…

Machine Learning · Computer Science 2026-03-11 Xuanting Xie , Erlin Pan , Zhao Kang , Wenyu Chen , Bingheng Li

The success of Transformer in computer vision has attracted increasing attention in the medical imaging community. Especially for medical image segmentation, many excellent hybrid architectures based on convolutional neural networks (CNNs)…

Image and Video Processing · Electrical Eng. & Systems 2022-07-26 Wentao Liu , Tong Tian , Weijin Xu , Huihua Yang , Xipeng Pan , Songlin Yan , Lemeng Wang

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Recently cloud-based graph convolutional network (GCN) has demonstrated great success and potential in many privacy-sensitive applications such as personal healthcare and financial systems. Despite its high inference accuracy and…

Cryptography and Security · Computer Science 2022-10-27 Ran Ran , Nuo Xu , Wei Wang , Gang Quan , Jieming Yin , Wujie Wen