Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks

Fuente: arXiv
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Hauptverfasser: Bechler-Speicher, Maya, Finkelshtein, Ben, Frasca, Fabrizio, Müller, Luis, Tönshoff, Jan, Siraudin, Antoine, Zaverkin, Viktor, Bronstein, Michael M., Niepert, Mathias, Perozzi, Bryan, Galkin, Mikhail, Morris, Christopher
Format: Preprint
Veröffentlicht: 2025
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author Bechler-Speicher, Maya
Finkelshtein, Ben
Frasca, Fabrizio
Müller, Luis
Tönshoff, Jan
Siraudin, Antoine
Zaverkin, Viktor
Bronstein, Michael M.
Niepert, Mathias
Perozzi, Bryan
Galkin, Mikhail
Morris, Christopher
author_facet Bechler-Speicher, Maya
Finkelshtein, Ben
Frasca, Fabrizio
Müller, Luis
Tönshoff, Jan
Siraudin, Antoine
Zaverkin, Viktor
Bronstein, Michael M.
Niepert, Mathias
Perozzi, Bryan
Galkin, Mikhail
Morris, Christopher
contents While machine learning on graphs has demonstrated promise in drug design and molecular property prediction, significant benchmarking challenges hinder its further progress and relevance. Current benchmarking practices often lack focus on transformative, real-world applications, favoring narrow domains like two-dimensional molecular graphs over broader, impactful areas such as combinatorial optimization, relational databases, or chip design. Additionally, many benchmark datasets poorly represent the underlying data, leading to inadequate abstractions and misaligned use cases. Fragmented evaluations and an excessive focus on accuracy further exacerbate these issues, incentivizing overfitting rather than fostering generalizable insights. These limitations have prevented the development of truly useful graph foundation models. This position paper calls for a paradigm shift toward more meaningful benchmarks, rigorous evaluation protocols, and stronger collaboration with domain experts to drive impactful and reliable advances in graph learning research, unlocking the potential of graph learning.
format Preprint
id arxiv_https___arxiv_org_abs_2502_14546
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks
Bechler-Speicher, Maya
Finkelshtein, Ben
Frasca, Fabrizio
Müller, Luis
Tönshoff, Jan
Siraudin, Antoine
Zaverkin, Viktor
Bronstein, Michael M.
Niepert, Mathias
Perozzi, Bryan
Galkin, Mikhail
Morris, Christopher
Machine Learning
Artificial Intelligence
Neural and Evolutionary Computing
While machine learning on graphs has demonstrated promise in drug design and molecular property prediction, significant benchmarking challenges hinder its further progress and relevance. Current benchmarking practices often lack focus on transformative, real-world applications, favoring narrow domains like two-dimensional molecular graphs over broader, impactful areas such as combinatorial optimization, relational databases, or chip design. Additionally, many benchmark datasets poorly represent the underlying data, leading to inadequate abstractions and misaligned use cases. Fragmented evaluations and an excessive focus on accuracy further exacerbate these issues, incentivizing overfitting rather than fostering generalizable insights. These limitations have prevented the development of truly useful graph foundation models. This position paper calls for a paradigm shift toward more meaningful benchmarks, rigorous evaluation protocols, and stronger collaboration with domain experts to drive impactful and reliable advances in graph learning research, unlocking the potential of graph learning.
title Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks
topic Machine Learning
Artificial Intelligence
Neural and Evolutionary Computing
url https://arxiv.org/abs/2502.14546