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Aiming at two molecular graph datasets and one protein association subgraph dataset in OGB graph classification task, we design a graph neural network framework for graph classification task by introducing PAS(Pooling Architecture Search).…

Machine Learning · Computer Science 2022-07-14 Xu Wang , Huan Zhao , Lanning Wei , Quanming Yao

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly…

Machine Learning · Computer Science 2019-12-30 Zhen Zhang , Jiajun Bu , Martin Ester , Jianfeng Zhang , Chengwei Yao , Zhi Yu , Can Wang

Real-world multimodal data usually exhibit complex structural relationships beyond traditional one-to-one mappings like image-caption pairs. Entities across modalities interact in intricate ways, with images and text forming diverse…

Machine Learning · Computer Science 2025-10-21 Xuying Ning , Dongqi Fu , Tianxin Wei , Wujiang Xu , Jingrui He

This paper proposes a structure-aware driven scheduling graph modeling method to improve the accuracy and representation capability of anomaly identification in scheduling behaviors of complex systems. The method first designs a…

Machine Learning · Computer Science 2025-12-23 Ning Lyu , Junjie Jiang , Lu Chang , Chihui Shao , Feng Chen , Chong Zhang

We address a largely open problem of multilabel classification over graphs. Unlike traditional vector input, a graph has rich variable-size substructures which are related to the labels in some ways. We believe that uncovering these…

Machine Learning · Computer Science 2018-04-12 Kien Do , Truyen Tran , Thin Nguyen , Svetha Venkatesh

This study presents a novel Multi-Modal Graph Neural Network (MM-GNN) framework for socially aware music recommendation, designed to enhance personalization and foster community-based engagement. The proposed model introduces a fusion-free…

Information Retrieval · Computer Science 2025-11-11 Kajwan Ziaoddini

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data but often struggle on heterophilous graphs, where connected nodes differ in features or class labels. This limitation arises from…

Machine Learning · Computer Science 2025-09-30 Zhongtian Sun , Anoushka Harit , Alexandra Cristea , Christl A. Donnelly , Pietro Liò

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Graph convolutional networks (GCNs) have gained popularity due to high performance achievable on several downstream tasks including node classification. Several architectural variants of these networks have been proposed and investigated…

Machine Learning · Computer Science 2020-04-09 Rahul Ragesh , Sundararajan Sellamanickam , Vijay Lingam , Arun Iyer

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

We present a detailed comparison of two types of sequence to sequence models trained to conduct a compositional task. The models are architecturally identical at inference time, but differ in the way that they are trained: our baseline…

Computation and Language · Computer Science 2019-06-07 Joris Baan , Jana Leible , Mitja Nikolaus , David Rau , Dennis Ulmer , Tim Baumgärtner , Dieuwke Hupkes , Elia Bruni

We aim to better understand attention over nodes in graph neural networks (GNNs) and identify factors influencing its effectiveness. We particularly focus on the ability of attention GNNs to generalize to larger, more complex or noisy…

Machine Learning · Computer Science 2019-10-29 Boris Knyazev , Graham W. Taylor , Mohamed R. Amer

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

Graph convolutional networks (GCNs) have shown the powerful ability in text structure representation and effectively facilitate the task of text classification. However, challenges still exist in adapting GCN on learning discriminative…

Machine Learning · Computer Science 2019-12-02 Xueya Zhang , Tong Zhang , Wenting Zhao , Zhen Cui , Jian Yang

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 learning methods have recently been receiving increasing interest as means to infer structure in datasets. Most of the recent approaches focus on different relationships between a graph and data sample distributions, mostly in…

Machine Learning · Computer Science 2020-03-23 Hermina Petric Maretic , Pascal Frossard

Recently, Graph Convolutional Networks (GCNs) have been widely studied for graph-structured data representation and learning. However, in many real applications, data are coming with multiple graphs, and it is non-trivial to adapt GCNs to…

Computer Vision and Pattern Recognition · Computer Science 2019-01-23 Bo Jiang , Ziyan Zhang , Jin Tang , Bin Luo

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). However, most existing GNNs are based on message passing to perform feature aggregation and transformation, where the structural…

Machine Learning · Computer Science 2024-09-10 Lirong Wu , Haitao Lin , Guojiang Zhao , Cheng Tan , Stan Z. Li

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo