How Powerful are Graph Neural Networks?

Authors: Keyulu Xu*, Weihua Hu*, Jure Leskovec, Stefanie Jegelka

ICLR 2019 | Conference PDF | Archive PDF | Plain Text | LLM Run Details

Reproducibility Variable Result LLM Response
Research Type Experimental We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.
Researcher Affiliation Academia Keyulu Xu MIT keyulu@mit.edu Weihua Hu Stanford University weihuahu@stanford.edu Jure Leskovec Stanford University jure@cs.stanford.edu Stefanie Jegelka MIT stefje@mit.edu
Pseudocode No The paper uses mathematical equations to describe the model updates (e.g., Eq 2.1, 4.1) but does not include explicit pseudocode blocks or algorithms.
Open Source Code Yes 1The code is available at https://github.com/weihua916/powerful-gnns.
Open Datasets Yes We use 9 graph classification benchmarks: 4 bioinformatics datasets (MUTAG, PTC, NCI1, PROTEINS) and 5 social network datasets (COLLAB, IMDB-BINARY, IMDB-MULTI, REDDITBINARY and REDDIT-MULTI5K) (Yanardag & Vishwanathan, 2015).
Dataset Splits Yes Following (Yanardag & Vishwanathan, 2015; Niepert et al., 2016), we perform 10-fold crossvalidation with LIB-SVM (Chang & Lin, 2011).
Hardware Specification No The paper does not provide specific hardware details such as GPU/CPU models, processor types, or memory amounts used for running experiments.
Software Dependencies No The paper mentions software components like 'LIB-SVM', 'Adam optimizer', and 'Batch normalization' but does not provide specific version numbers for any of them.
Experiment Setup Yes For all configurations, 5 GNN layers (including the input layer) are applied, and all MLPs have 2 layers. Batch normalization (Ioffe & Szegedy, 2015) is applied on every hidden layer. We use the Adam optimizer (Kingma & Ba, 2015) with initial learning rate 0.01 and decay the learning rate by 0.5 every 50 epochs. The hyper-parameters we tune for each dataset are: (1) the number of hidden units {16, 32} for bioinformatics graphs and 64 for social graphs; (2) the batch size {32, 128}; (3) the dropout ratio {0, 0.5} after the dense layer (Srivastava et al., 2014); (4) the number of epochs, i.e., a single epoch with the best cross-validation accuracy averaged over the 10 folds was selected.