Graph neural networks

G Corso, H Stark, S Jegelka, T Jaakkola… - Nature Reviews …, 2024 - nature.com
Graphs are flexible mathematical objects that can represent many entities and knowledge
from different domains, including in the life sciences. Graph neural networks (GNNs) are …

Graph neural networks for materials science and chemistry

P Reiser, M Neubert, A Eberhard, L Torresi… - Communications …, 2022 - nature.com
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …

Exploring the potential of large language models (llms) in learning on graphs

Z Chen, H Mao, H Li, W **, H Wen, X Wei… - ACM SIGKDD …, 2024 - dl.acm.org
Learning on Graphs has attracted immense attention due to its wide real-world applications.
The most popular pipeline for learning on graphs with textual node attributes primarily relies …

Low-latency automotive vision with event cameras

D Gehrig, D Scaramuzza - Nature, 2024 - nature.com
The computer vision algorithms used currently in advanced driver assistance systems rely
on image-based RGB cameras, leading to a critical bandwidth–latency trade-off for …

SE (3) diffusion model with application to protein backbone generation

J Yim, BL Trippe, V De Bortoli, E Mathieu… - arxiv preprint arxiv …, 2023 - arxiv.org
The design of novel protein structures remains a challenge in protein engineering for
applications across biomedicine and chemistry. In this line of work, a diffusion model over …

Recipe for a general, powerful, scalable graph transformer

L Rampášek, M Galkin, VP Dwivedi… - Advances in …, 2022 - proceedings.neurips.cc
We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer
with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph …

Revisiting heterophily for graph neural networks

S Luan, C Hua, Q Lu, J Zhu, M Zhao… - Advances in neural …, 2022 - proceedings.neurips.cc
Abstract Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using
graph structures based on the relational inductive bias (homophily assumption). While …

Geometry-informed neural operator for large-scale 3d pdes

Z Li, N Kovachki, C Choy, B Li… - Advances in …, 2023 - proceedings.neurips.cc
We propose the geometry-informed neural operator (GINO), a highly efficient approach for
learning the solution operator of large-scale partial differential equations with varying …

Long range graph benchmark

VP Dwivedi, L Rampášek, M Galkin… - Advances in …, 2022 - proceedings.neurips.cc
Abstract Graph Neural Networks (GNNs) that are based on the message passing (MP)
paradigm generally exchange information between 1-hop neighbors to build node …

Graph neural networks: foundation, frontiers and applications

L Wu, P Cui, J Pei, L Zhao, X Guo - … of the 28th ACM SIGKDD conference …, 2022 - dl.acm.org
The field of graph neural networks (GNNs) has seen rapid and incredible strides over the
recent years. Graph neural networks, also known as deep learning on graphs, graph …