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Quantifying predictive uncertainty of neural networks has recently attracted increasing attention. In this work, we focus on measuring uncertainty of graph neural networks (GNNs) for the task of node classification. Most existing GNNs model…

机器学习 · 计算机科学 2023-04-04 Zhao Xu , Carolin Lawrence , Ammar Shaker , Raman Siarheyeu

Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability to effectively capture the fundamental principles of…

机器学习 · 计算机科学 2025-03-12 Junyi An , Chao Qu , Yun-Fei Shi , XinHao Liu , Qianwei Tang , Fenglei Cao , Yuan Qi

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

机器学习 · 计算机科学 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

We show that a modification of the first layer of a Graph Convolutional Network (GCN) can be used to effectively propagate label information across neighbor nodes, for binary and multi-class classification problems. This is done by…

机器学习 · 计算机科学 2021-04-07 Claudio Bellei , Hussain Alattas , Nesrine Kaaniche

Prompt tuning methods for Graph Neural Networks (GNNs) have become popular to address the semantic gap between pre-training and fine-tuning steps. However, existing GNN prompting methods rely on labeled data and involve lightweight…

机器学习 · 计算机科学 2025-05-23 Peyman Baghershahi , Sourav Medya

While Graph Neural Networks (GNNs) have achieved remarkable success, their design largely relies on empirical intuition rather than theoretical understanding. In this paper, we present a comprehensive analysis of GNN behavior through three…

机器学习 · 计算机科学 2025-02-04 Qin Jiang , Chengjia Wang , Michael Lones , Wei Pang

Semi-supervised learning (SSL) addresses the critical challenge of training accurate models when labeled data is scarce but unlabeled data is abundant. Graph-based SSL (GSSL) has emerged as a popular framework that captures data structure…

机器学习 · 统计学 2026-02-10 Nadav Katz , Ariel Jaffe

The emergence of graph neural networks (GNNs) has offered a powerful tool for semi-supervised node classification tasks. Subsequent studies have achieved further improvements through refining the message passing schemes in GNN models or…

机器学习 · 计算机科学 2025-11-26 Songbo Wang , Renchi Yang , Yurui Lai , Xiaoyang Lin , Tsz Nam Chan

For the problem of binary linear classification and feature selection, we propose algorithmic approaches to classifier design based on the generalized approximate message passing (GAMP) algorithm, recently proposed in the context of…

信息论 · 计算机科学 2015-06-18 Justin Ziniel , Philip Schniter , Per Sederberg

In semantic segmentation, the creation of pixel-level labels for training data incurs significant costs. To address this problem, semi-supervised learning, which utilizes a small number of labeled images alongside unlabeled images to…

计算机视觉与模式识别 · 计算机科学 2026-04-09 Takahiro Mano , Reiji Saito , Kazuhiro Hotta

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

机器学习 · 计算机科学 2025-11-05 Lisi Qarkaxhija , Anatol E. Wegner , Ingo Scholtes

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

机器学习 · 计算机科学 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

机器学习 · 计算机科学 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses…

机器学习 · 计算机科学 2021-10-19 Yao Ma , Xiaorui Liu , Tong Zhao , Yozen Liu , Jiliang Tang , Neil Shah

Label information plays an important role in supervised hyperspectral image classification problem. However, current classification methods all ignore an important and inevitable problem---labels may be corrupted and collecting clean labels…

计算机视觉与模式识别 · 计算机科学 2019-04-03 Junjun Jiang , Jiayi Ma , Zheng Wang , Chen Chen , Xianming Liu

Graph Neural Networks (GNNs) have demonstrated strong performance in graph mining tasks due to their message-passing mechanism, which is aligned with the homophily assumption that adjacent nodes exhibit similar behaviors. However, in many…

机器学习 · 计算机科学 2024-05-29 Zhuonan Zheng , Yuanchen Bei , Sheng Zhou , Yao Ma , Ming Gu , HongJia XU , Chengyu Lai , Jiawei Chen , Jiajun Bu

Message passing mechanism contributes to the success of GNNs in various applications, but also brings the oversquashing problem. Recent works combat oversquashing by improving the graph spectrums with rewiring techniques, disrupting the…

机器学习 · 计算机科学 2024-03-19 Haiquan Qiu , Yatao Bian , Quanming Yao

Subgraph federated learning (SFL) is a research methodology that has gained significant attention for its potential to handle distributed graph-structured data. In SFL, the local model comprises graph neural networks (GNNs) with a partial…

机器学习 · 计算机科学 2024-06-19 Bisheng Tang , Xiaojun Chen , Shaopu Wang , Yuexin Xuan , Zhendong Zhao

Graph-based and sequential methods are two popular recommendation paradigms, each excelling in its domain but lacking the ability to leverage signals from the other. To address this, we propose a novel method that integrates both approaches…

信息检索 · 计算机科学 2025-01-30 Yuwei Cao , Liangwei Yang , Zhiwei Liu , Yuqing Liu , Chen Wang , Yueqing Liang , Hao Peng , Philip S. Yu

Deep learning models often struggle to maintain generalizability in medical imaging, particularly under domain-fracture scenarios where distribution shifts arise from varying imaging techniques, acquisition protocols, patient populations,…

机器学习 · 计算机科学 2025-08-15 Furkan Pala , Islem Rekik