相关论文: Simple GNN Regularisation for 3D Molecular Propert…

The denoising process of diffusion models can be interpreted as an approximate projection of noisy samples onto the data manifold. Moreover, the noise level in these samples approximates their distance to the underlying manifold. Building…

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Graph Neural Networks (GNNs) learn node representations through iterative network-based message-passing. While powerful, deep GNNs suffer from oversmoothing, where node features converge to a homogeneous, non-informative state. We re-frame…

Neural autoregressive sequence models smear the probability among many possible sequences including degenerate ones, such as empty or repetitive sequences. In this work, we tackle one specific case where the model assigns a high probability…

The gradient noise of SGD is considered to play a central role in the observed strong generalization abilities of deep learning. While past studies confirm that the magnitude and the covariance structure of gradient noise are critical for…

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

How can we solve semi-supervised node classification in various graphs possibly with noisy features and structures? Graph neural networks (GNNs) have succeeded in many graph mining tasks, but their generalizability to various graph…

Graph neural networks (GNNs) have achieved state-of-the-art performance for node classification on graphs. The vast majority of existing works assume that genuine node labels are always provided for training. However, there has been very…

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and…

Graph Convolutional Neural Network (GCN), a widely adopted method for analyzing relational data, enhances node discriminability through the aggregation of neighboring information. Usually, stacking multiple layers can improve the…

Augmented graphs play a vital role in regularizing Graph Neural Networks (GNNs), which leverage information exchange along edges in graphs, in the form of message passing, for learning. Due to their effectiveness, simple edge and node…

Studies continually find that message-passing graph convolutional networks suffer from the over-smoothing issue. Basically, the issue of over-smoothing refers to the phenomenon that the learned embeddings for all nodes can become very…

Graph neural networks (GNNs) are a powerful solution for various structure learning applications due to their strong representation capabilities for graph data. However, traditional GNNs, relying on message-passing mechanisms that gather…

Transformers have achieved remarkable success in a wide range of natural language processing and computer vision applications. However, the representation capacity of a deep transformer model is degraded due to the over-smoothing issue in…

Graph neural networks (GNNs) learn node representations by passing and aggregating messages between neighboring nodes. GNNs have been applied successfully in several application domains and achieved promising performance. However, GNNs…

Quantum noise fundamentally limits the utility of near-term quantum devices, making error mitigation essential for practical quantum computation. While traditional quantum error correction codes require substantial qubit overhead and…

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data across various domains. Despite their great successful, one critical challenge is often overlooked by existing works, i.e., the…

Current Graph Neural Networks (GNNs) suffer from the over-smoothing problem, which results in indistinguishable node representations and low model performance with more GNN layers. Many methods have been put forward to tackle this problem…

Graph Neural Networks (GNNs) have attracted much attention due to their ability in learning representations from graph-structured data. Despite the successful applications of GNNs in many domains, the optimization of GNNs is less well…

For the past few years, Deep Neural Network (DNN) robustness has become a question of paramount importance. As a matter of fact, in sensitive settings misclassification can lead to dramatic consequences. Such misclassifications are likely…