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Graph Neural Networks (GNNs) have become the dominant framework for inductive graph-level learning. Yet most benchmarks focus on the regime $n \gg p$, where the number of graphs $n$ greatly exceeds the number of nodes per graph $p$. This…

Machine Learning · Computer Science 2026-05-18 Louisa Cornelis , Johan Mathe , Louis Van Langendonck , Guillermo Bernárdez , Nina Miolane

This work introduces a novel framework for brain tumor segmentation leveraging pre-trained GANs and Unet architectures. By combining a global anomaly detection module with a refined mask generation network, the proposed model accurately…

Image and Video Processing · Electrical Eng. & Systems 2025-06-27 Qifei Cui , Xinyu Lu

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

Machine Learning · Computer Science 2022-02-15 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Deep learning has emerged as a prominent field in recent literature, showcasing the introduction of models that utilize transfer learning to achieve remarkable accuracies in the classification of brain tumor MRI images. However, the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Raza Imam , Mohammed Talha Alam

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

Biomolecules · Quantitative Biology 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Graph Convolutional Networks (GCNs) are powerful for processing graph-structured data and have achieved state-of-the-art performance in several tasks such as node classification, link prediction, and graph classification. However, it is…

Machine Learning · Computer Science 2021-10-19 Langzhang Liang , Cuiyun Gao , Shiyi Chen , Shishi Duan , Yu pan , Junjin Zheng , Lei Wang , Zenglin Xu

We propose a novel computational framework leveraging hypergraph theory to analyse cancer stem cell markers (CSCMs) across multiple organs. Hypergraphs provide a robust representation of CSCM co-expression patterns, capturing their complex…

Biological Physics · Physics 2025-08-01 David H. Margarit , Gustavo Paccosi , Marcela V. Reale , Lilia M. Romanelli

Graph Neural Networks (GNNs) have emerged as the most powerful weapon for various graph tasks due to the message-passing mechanism's great local information aggregation ability. However, over-smoothing has always hindered GNNs from going…

Machine Learning · Computer Science 2024-03-26 Yundong Sun , Dongjie Zhu , Yansong Wang , Zhaoshuo Tian

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Machine Learning · Computer Science 2021-01-29 Meiqi Zhu , Xiao Wang , Chuan Shi , Houye Ji , Peng Cui

Multimodal brain networks characterize complex connectivities among different brain regions from both structural and functional aspects and provide a new means for mental disease analysis. Recently, Graph Neural Networks (GNNs) have become…

Neurons and Cognition · Quantitative Biology 2022-05-25 Yanqiao Zhu , Hejie Cui , Lifang He , Lichao Sun , Carl Yang

Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to…

Machine Learning · Statistics 2024-11-19 Wenzhuo Zhou , Annie Qu , Keiland W. Cooper , Norbert Fortin , Babak Shahbaba

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

Machine Learning · Computer Science 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

Efficiently capturing consistent and complementary semantic features in a multimodal conversation context is crucial for Multimodal Emotion Recognition in Conversation (MERC). Existing methods mainly use graph structures to model dialogue…

Computation and Language · Computer Science 2024-05-06 Tao Meng , Fuchen Zhang , Yuntao Shou , Wei Ai , Nan Yin , Keqin Li

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

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 (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

Motivation: The size of available omics datasets is steadily increasing with technological advancement in recent years. While this increase in sample size can be used to improve the performance of relevant prediction tasks in healthcare,…

Quantitative Methods · Quantitative Biology 2023-05-04 Jonas C. Ditz , Bernhard Reuter , Nico Pfeifer

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Cancer is a leading cause of death in many countries. An early diagnosis of cancer based on biomedical imaging ensures effective treatment and a better prognosis. However, biomedical imaging presents challenges to both clinical institutions…

Computer Vision and Pattern Recognition · Computer Science 2023-01-24 Hosein Barzekar , Yash Patel , Ling Tong , Zeyun Yu
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