Related papers: Attending to Graph Transformers

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions,…

Graph neural networks (GNNs) have exhibited state-of-the-art performance across wide-range of domains such as recommender systems, material design, and drug repurposing. Yet message-passing GNNs suffer from over-squashing -- exponential…

Graph Neural Networks (GNNs) have achieved remarkable success across various domains. However, recent theoretical advances have identified fundamental limitations in their information propagation capabilities, such as over-squashing, where…

Graph neural networks operate on graph-structured data via exchanging messages along edges. One limitation of this message passing paradigm is the over-squashing problem. Over-squashing occurs when messages from a node's expanded receptive…

Classical graph algorithms work well for combinatorial problems that can be thoroughly formalized and abstracted. Once the algorithm is derived, it generalizes to instances of any size. However, developing an algorithm that handles complex…

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Data with geometric structure is ubiquitous in machine learning often arising from fundamental symmetries in a domain, such as permutation-invariance in graphs and translation-invariance in images. Group-convolutional architectures, which…

Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networks on string representations of molecules and fine-tune them…

Message Passing Neural Networks (MPNNs) are widely used for learning on graphs, but their ability to process long-range information is limited by the phenomenon of oversquashing. This limitation has led some researchers to advocate Graph…

Patterns stored within pre-trained deep neural networks compose large and powerful descriptive languages that can be used for many different purposes. Typically, deep network representations are implemented within vector embedding spaces,…

Graph Neural Networks (GNNs) have gained momentum in graph representation learning and boosted the state of the art in a variety of areas, such as data mining (\emph{e.g.,} social network analysis and recommender systems), computer vision…

Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

We introduce an architecture based on deep hierarchical decompositions to learn effective representations of large graphs. Our framework extends classic R-decompositions used in kernel methods, enabling nested part-of-part relations. Unlike…

Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Graph filters are a staple tool for processing signals over graphs in a multitude of downstream tasks. However, they are commonly designed for graphs with a fixed number of nodes, despite real-world networks typically grow over time. This…

Despite the tremendous success of graph-based learning systems in handling structural data, it has been widely investigated that they are fragile to adversarial attacks on homophilic graph data, where adversaries maliciously modify the…