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Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

Convolutional neural networks (CNNs) are usually used as a backbone to design methods in biomedical image segmentation. However, the limitation of receptive field and large number of parameters limit the performance of these methods. In…

Image and Video Processing · Electrical Eng. & Systems 2022-09-27 Chong Wu , Zhenan Feng , Houwang Zhang , Hong Yan

Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the…

Machine Learning · Computer Science 2026-01-08 Fang Wu , Siyuan Li , Stan Z. Li

Community detection, aiming to group the graph nodes into clusters with dense inner-connection, is a fundamental graph mining task. Recently, it has been studied on the heterogeneous graph, which contains multiple types of nodes and edges,…

Social and Information Networks · Computer Science 2021-09-07 Linhao Luo , Yixiang Fang , Xin Cao , Xiaofeng Zhang , Wenjie Zhang

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

Machine Learning · Computer Science 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Graph Convolutional Networks (GCNs) have emerged as a promising approach to machine learning on Electronic Health Records (EHRs). By constructing a graph representation of patient data and performing convolutions on neighborhoods of nodes,…

Machine Learning · Computer Science 2025-02-17 Garrik Hoyt , Noyonica Chatterjee , Fortunato Battaglia , Paramita Basu

Recently, motivated by real applications, a major research direction in graph neural networks (GNNs) is to explore deeper structures. For instance, the graph connectivity is not always consistent with the label distribution (e.g., the…

Machine Learning · Computer Science 2022-10-26 Lecheng Zheng , Dongqi Fu , Ross Maciejewski , Jingrui He

Link prediction is a fundamental task in dynamic graph learning (DGL), inherently shaped by the topology of the DG. Recent advancements in dynamic graph neural networks (DGNN), primarily by modeling the relationships among nodes via a…

Machine Learning · Computer Science 2025-04-29 Ling Wang , Minglian Han

Graphs can model complicated interactions between entities, which naturally emerge in many important applications. These applications can often be cast into standard graph learning tasks, in which a crucial step is to learn low-dimensional…

Machine Learning · Computer Science 2023-07-04 Xuexin Chen , Ruichu Cai , Yuan Fang , Min Wu , Zijian Li , Zhifeng Hao

The shared topology of human skeletons motivated the recent investigation of graph convolutional network (GCN) solutions for action recognition. However, most of the existing GCNs rely on the binary connection of two neighboring vertices…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Youwei Zhou , Tianyang Xu , Cong Wu , Xiaojun Wu , Josef Kittler

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Although a number of studies have explored deep learning in neuroscience, the application of these algorithms to neural systems on a microscopic scale, i.e. parameters relevant to lower scales of organization, remains relatively novel.…

Machine Learning · Computer Science 2020-10-20 Paul Y. Wang , Sandalika Sapra , Vivek Kurien George , Gabriel A. Silva

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

Recently, Graph Convolutional Networks (GCNs) have proven to be a powerful machine learning tool for Computer-Aided Diagnosis (CADx) and disease prediction. A key component in these models is to build a population graph, where the graph…

Machine Learning · Computer Science 2022-05-16 Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…

Machine Learning · Computer Science 2025-10-10 Yumeng Wang , Zengyi Wo , Wenjun Wang , Xingcheng Fu , Minglai Shao

Recently, the study of graph neural network (GNN) has attracted much attention and achieved promising performance in molecular property prediction. Most GNNs for molecular property prediction are proposed based on the idea of learning the…

Machine Learning · Computer Science 2021-04-15 Yingfang Yuan , Wenjun Wang , Wei Pang

Graph neural networks (GNNs) are becoming increasingly popular for EEG-based depression detection. However, previous GNN-based methods fail to sufficiently consider the characteristics of depression, thus limiting their performance.…

Signal Processing · Electrical Eng. & Systems 2026-05-11 Yiye Wang , Wenming Zheng , Yang Li , Hao Yang

Graph Convolutional Networks (GCNs) have shown very powerful for graph data representation and learning tasks. Existing GCNs usually conduct feature aggregation on a fixed neighborhood graph in which each node computes its representation by…

Computer Vision and Pattern Recognition · Computer Science 2019-11-21 Bo Jiang , Beibei Wang , Jin Tang , Bin Luo

Graph Neural Networks (GNNs) have recently achieved significant success, with a key operation involving the aggregation of information from neighboring nodes. Substantial researchers have focused on defining neighbors for aggregation,…

Machine Learning · Computer Science 2024-09-24 Ziyan Wang , Bin Liu , Ling Xiang

Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and…

Machine Learning · Computer Science 2020-01-22 Shikhar Vashishth , Soumya Sanyal , Vikram Nitin , Partha Talukdar