Large language models (LLMs), such as GPT4 and LLaMA, are creating significant
advancements in natural language processing, due to their strong text encoding/decoding …

Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Abstract Graph Neural Networks (GNNs) that are based on the message passing (MP)
paradigm generally exchange information between 1-hop neighbors to build node …

Abstract We present the Temporal Graph Benchmark (TGB), a collection of challenging and
diverse benchmark datasets for realistic, reproducible, and robust evaluation of machine …

Abstract Message Passing Neural Networks (MPNNs) are instances of Graph Neural
Networks that leverage the graph to send messages over the edges. This inductive bias …

Transformers for graph data are increasingly widely studied and successful in numerous
learning tasks. Graph inductive biases are crucial for Graph Transformers, and previous …

Message passing neural networks (MPNNs) have been shown to suffer from the
phenomenon of over-squashing that causes poor performance for tasks relying on long …

Graph transformers have emerged as a promising architecture for a variety of graph learning
and representation tasks. Despite their successes, though, it remains challenging to scale …

Graph Neural Networks (GNNs) have shown promising potential in graph representation
learning. The majority of GNNs define a local message-passing mechanism, propagating …

Abstract Graph Neural Networks (GNNs) have shown great potential in the field of graph
representation learning. Standard GNNs define a local message-passing mechanism which …