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 …

Finding global homophily in graph neural networks when meeting heterophily

X Li, R Zhu, Y Cheng, C Shan, S Luo… - International …, 2022 - proceedings.mlr.press
We investigate graph neural networks on graphs with heterophily. Some existing methods
amplify a node's neighborhood with multi-hop neighbors to include more nodes with …

Combinatorial optimization and reasoning with graph neural networks

Q Cappart, D Chételat, EB Khalil, A Lodi… - Journal of Machine …, 2023 - jmlr.org
Combinatorial optimization is a well-established area in operations research and computer
science. Until recently, its methods have focused on solving problem instances in isolation …

Self-supervised learning with chemistry-aware fragmentation for effective molecular property prediction

A Xie, Z Zhang, J Guan, S Zhou - Briefings in Bioinformatics, 2023 - academic.oup.com
Molecular property prediction (MPP) is a crucial and fundamental task for AI-aided drug
discovery (AIDD). Recent studies have shown great promise of applying self-supervised …

Convolutional neural networks on graphs with chebyshev approximation, revisited

M He, Z Wei, JR Wen - Advances in neural information …, 2022 - proceedings.neurips.cc
Designing spectral convolutional networks is a challenging problem in graph learning.
ChebNet, one of the early attempts, approximates the spectral graph convolutions using …

Difformer: Scalable (graph) transformers induced by energy constrained diffusion

Q Wu, C Yang, W Zhao, Y He, D Wipf, J Yan - arXiv preprint arXiv …, 2023 - arxiv.org
Real-world data generation often involves complex inter-dependencies among instances,
violating the IID-data hypothesis of standard learning paradigms and posing a challenge for …

Evennet: Ignoring odd-hop neighbors improves robustness of graph neural networks

R Lei, Z Wang, Y Li, B Ding… - Advances in Neural …, 2022 - proceedings.neurips.cc
Abstract Graph Neural Networks (GNNs) have received extensive research attention for their
promising performance in graph machine learning. Despite their extraordinary predictive …

Optimization-induced graph implicit nonlinear diffusion

Q Chen, Y Wang, Y Wang, J Yang… - … on Machine Learning, 2022 - proceedings.mlr.press
Due to the over-smoothing issue, most existing graph neural networks can only capture
limited dependencies with their inherently finite aggregation layers. To overcome this …

Equivariant hypergraph diffusion neural operators

P Wang, S Yang, Y Liu, Z Wang, P Li - arXiv preprint arXiv:2207.06680, 2022 - arxiv.org
Hypergraph neural networks (HNNs) using neural networks to encode hypergraphs provide
a promising way to model higher-order relations in data and further solve relevant prediction …

Bag of tricks for node classification with graph neural networks

Y Wang, J Jin, W Zhang, Y Yu, Z Zhang… - arXiv preprint arXiv …, 2021 - arxiv.org
Over the past few years, graph neural networks (GNN) and label propagation-based
methods have made significant progress in addressing node classification tasks on graphs …