Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks
원문 초록
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.
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CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions
Delving into Instance-Dependent Label Noise in Graph Data: A Comprehensive Study and Benchmark
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning
GDGB: A Benchmark for Generative Dynamic Text-Attributed Graph Learning
SemanticST: Spatially Informed Semantic Graph Learning for Clustering, Integration, and Scalable Analysis of Spatial Transcriptomics
SenseShift6D: Multimodal RGB-D Benchmarking for Robust 6D Pose Estimation across Environment and Sensor Variations
토론
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