Check the preview of 2nd version of this platform
being developed by the open MLCommons taskforce on automation and reproducibility
as a free, open-source and technology-agnostic on-prem platform.
Wasserstein Weisfeiler-Lehman Graph Kernels
lib:b77b5ac26c433dad (v1.0.0)
Authors: Matteo Togninalli,Elisabetta Ghisu,Felipe Llinares-López,Bastian Rieck,Karsten Borgwardt
Where published: NeurIPS 2019 12
ArXiv: 1906.01277
Document: PDF DOI
Artifact development version: GitHub
Abstract URL: https://arxiv.org/abs/1906.01277v2
Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of the final set of substructures, usually a sum or average, thereby potentially discarding valuable information about the distribution of individual components. Furthermore, only a limited instance of these approaches can be extended to continuously attributed graphs. We propose a novel method that relies on the Wasserstein distance between the node feature vector distributions of two graphs, which allows to find subtler differences in data sets by considering graphs as high-dimensional objects, rather than simple means. We further propose a Weisfeiler-Lehman inspired embedding scheme for graphs with continuous node attributes and weighted edges, enhance it with the computed Wasserstein distance, and thus improve the state-of-the-art prediction performance on several graph classification tasks.
Where published: NeurIPS 2019 12
ArXiv: 1906.01277
Document: PDF DOI
Artifact development version: GitHub
Abstract URL: https://arxiv.org/abs/1906.01277v2
Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of the final set of substructures, usually a sum or average, thereby potentially discarding valuable information about the distribution of individual components. Furthermore, only a limited instance of these approaches can be extended to continuously attributed graphs. We propose a novel method that relies on the Wasserstein distance between the node feature vector distributions of two graphs, which allows to find subtler differences in data sets by considering graphs as high-dimensional objects, rather than simple means. We further propose a Weisfeiler-Lehman inspired embedding scheme for graphs with continuous node attributes and weighted edges, enhance it with the computed Wasserstein distance, and thus improve the state-of-the-art prediction performance on several graph classification tasks.
Relevant initiatives
Related knowledge about this paper
Reproduced results (crowd-benchmarking and competitions)
Artifact and reproducibility checklists
- ACM/cTuning artifact appendix and reproducibility checklist
- NeurIPS reproducibility checklist
- SIGPLAN's checklist for empirical evaluation
- Collective Knowledge (organizing research projects based on FAIR principles)