HyperAIHyperAI

Command Palette

Search for a command to run...

5 months ago

Where Did the Gap Go? Reassessing the Long-Range Graph Benchmark

Jan Tönshoff; Martin Ritzert; Eran Rosenbluth; Martin Grohe

Where Did the Gap Go? Reassessing the Long-Range Graph Benchmark

Abstract

The recent Long-Range Graph Benchmark (LRGB, Dwivedi et al. 2022) introduced a set of graph learning tasks strongly dependent on long-range interaction between vertices. Empirical evidence suggests that on these tasks Graph Transformers significantly outperform Message Passing GNNs (MPGNNs). In this paper, we carefully reevaluate multiple MPGNN baselines as well as the Graph Transformer GPS (Rampášek et al. 2022) on LRGB. Through a rigorous empirical analysis, we demonstrate that the reported performance gap is overestimated due to suboptimal hyperparameter choices. It is noteworthy that across multiple datasets the performance gap completely vanishes after basic hyperparameter optimization. In addition, we discuss the impact of lacking feature normalization for LRGB's vision datasets and highlight a spurious implementation of LRGB's link prediction metric. The principal aim of our paper is to establish a higher standard of empirical rigor within the graph machine learning community.

Code Repositories

Fedzbar/laser-release
pytorch
Mentioned in GitHub
toenshoff/lrgb
Official
pytorch

Benchmarks

BenchmarkMethodologyMetrics
graph-classification-on-peptides-funcGatedGCN-tuned
AP: 0.6765±0.0047
graph-classification-on-peptides-funcGCN-tuned
AP: 0.6860±0.0050
graph-classification-on-peptides-funcGINE-tuned
AP: 0.6621±0.0067
graph-classification-on-peptides-funcGPS-tuned
AP: 0.6534±0.0091
graph-regression-on-peptides-structGatedGCN-tuned
MAE: 0.2477±0.0009
graph-regression-on-peptides-structGCN-tuned
MAE: 0.2460±0.0007
graph-regression-on-peptides-structGINE-tuned
MAE: 0.2473±0.0017
graph-regression-on-peptides-structGPS-tuned
MAE: 0.2509±0.0014
link-prediction-on-pcqm-contactGPS-tuned
MRR: 0.3498±0.0005
MRR-ext-filtered: 0.4703±0.0014
link-prediction-on-pcqm-contactGINE-tuned
MRR: 0.3509±0.0006
MRR-ext-filtered: 0.4617±0.0005
link-prediction-on-pcqm-contactGatedGCN-tuned
MRR: 0.3495±0.0010
MRR-ext-filtered: 0.4670±0.0004
link-prediction-on-pcqm-contactGCN-tuned
MRR: 0.3424±0.0007
MRR-ext-filtered: 0.4526±0.0006
node-classification-on-coco-spGatedGCN-tuned
macro F1: 0.2922±0.0018
node-classification-on-coco-spGINE-tuned
macro F1: 0.2125±0.0009
node-classification-on-coco-spGPS-tuned
macro F1: 0.3884±0.0055
node-classification-on-coco-spGCN-tuned
macro F1: 0.1338±0.0007
node-classification-on-pascalvoc-sp-1GINE-tuned
macro F1: 0.2718±0.0054
node-classification-on-pascalvoc-sp-1GCN-tuned
macro F1: 0.2078±0.0031
node-classification-on-pascalvoc-sp-1GPS-tuned
macro F1: 0.4440±0.0065
node-classification-on-pascalvoc-sp-1GatedGCN-tuned
macro F1: 0.3880±0.0040

Build AI with AI

From idea to launch — accelerate your AI development with free AI co-coding, out-of-the-box environment and best price of GPUs.

AI Co-coding
Ready-to-use GPUs
Best Pricing
Get Started

Hyper Newsletters

Subscribe to our latest updates
We will deliver the latest updates of the week to your inbox at nine o'clock every Monday morning
Powered by MailChimp
Where Did the Gap Go? Reassessing the Long-Range Graph Benchmark | Papers | HyperAI