相关论文: Gumbel-MPNN: Graph Rewiring with Gumbel-Softmax

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Generative Adversarial Networks (GAN) have limitations when the goal is to generate sequences of discrete elements. The reason for this is that samples from a distribution on discrete objects such as the multinomial are not differentiable…

While heterophily has been widely studied in node-level tasks, its impact on graph-level tasks remains unclear. We present the first analysis of heterophily in graph-level learning, combining theoretical insights with empirical validation.…

Spatial Message Passing Graph Neural Networks (MPGNNs) are widely used for learning on graph-structured data. However, key limitations of l-step MPGNNs are that their "receptive field" is typically limited to the l-hop neighborhood of a…

The task of graph node classification is often approached by utilizing a local Graph Neural Network (GNN), that learns only local information from the node input features and their adjacency. In this paper, we propose to improve the…

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive…

Flow matching in the continuous simplex has emerged as a promising strategy for DNA sequence design, but struggles to scale to higher simplex dimensions required for peptide and protein generation. We introduce Gumbel-Softmax Flow and Score…

Distributed training of graph neural networks (GNNs) has become a crucial technique for processing large graphs. Prevalent GNN frameworks are model-centric, necessitating the transfer of massive graph vertex features to GNN models, which…

Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density…

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…

Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum…

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Since the Message Passing (Graph) Neural Networks (MPNNs) have a linear complexity with respect to the number of nodes when applied to sparse graphs, they have been widely implemented and still raise a lot of interest even though their…

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Graph Neural Networks (GNNs) have become widely-used models for semi-supervised learning. However, the robustness of GNNs in the presence of label noise remains a largely under-explored problem. In this paper, we consider an important yet…

Graph Neural Networks (GNNs) have demonstrated impressive performance in learning representations from graph-structured data. However, their message-passing mechanism inherently relies on the assumption of label consistency among connected…

Many widely used datasets for graph machine learning tasks have generally been homophilous, where nodes with similar labels connect to each other. Recently, new Graph Neural Networks (GNNs) have been developed that move beyond the homophily…