相关论文: Towards Dynamic Message Passing on Graphs

Graph neural networks (GNNs) have become pivotal tools for processing graph-structured data, leveraging the message passing scheme as their core mechanism. However, traditional GNNs often grapple with issues such as instability,…

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…

The growing complexity of wireless systems has accelerated the move from traditional methods to learning-based solutions. Graph Neural Networks (GNNs) are especially well-suited here, since wireless networks can be naturally represented as…

In this study, we introduce a domain-decomposition-based distributed training and inference approach for message-passing neural networks (MPNN). Our objective is to address the challenge of scaling edge-based graph neural networks as the…

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

Graph neural networks (GNNs) have gained significant attention in recent years for their ability to process data that may be represented as graphs. This has prompted several studies to explore their representational capability based on the…

In the realm of collaborative filtering recommendation systems, Graph Neural Networks (GNNs) have demonstrated remarkable performance but face significant challenges in deployment on resource-constrained edge devices due to their high…

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

There has been tremendous success in the field of graph neural networks (GNNs) as a result of the development of the message-passing (MP) layer, which updates the representation of a node by combining it with its neighbors to address…

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Graph embedding, aiming to learn low-dimensional representations (aka. embeddings) of nodes, has received significant attention recently. Recent years have witnessed a surge of efforts made on static graphs, among which Graph Convolutional…

Graph Convolutional Networks (GCNs) are state-of-the-art deep learning models for representation learning on graphs. However, the efficient training of GCNs is hampered by constraints in memory capacity and bandwidth, compounded by the…

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

In graph neural networks (GNNs), message passing iteratively aggregates nodes' information from their direct neighbors while neglecting the sequential nature of multi-hop node connections. Such sequential node connections e.g., metapaths,…

Graphs are the most ubiquitous data structures for representing relational datasets and performing inferences in them. They model, however, only pairwise relations between nodes and are not designed for encoding the higher-order relations.…

Graph neural networks (GNNs) have been shown promising in improving the efficiency of learning communication policies by leveraging their permutation properties. Nonetheless, existing works design GNNs only for specific wireless policies,…

Many complex processes can be viewed as dynamical systems of interacting agents. In many cases, only the state sequences of individual agents are observed, while the interacting relations and the dynamical rules are unknown. The neural…

Graph neural networks compute node representations by performing multiple message-passing steps that consist in local aggregations of node features. Having deep models that can leverage longer-range interactions between nodes is hindered by…

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…