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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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,…