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arXiv 2512.04475cs.LGcs.AIcs.NEstat.ML
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GraphBench: 图学习下一代基准测试

GraphBench: Next-generation graph learning benchmarking

RWTH Aachen University(亚琛RWTH大学);University of Oxford(牛津大学);Mila – Quebec AI Institute(魁北克AI研究所);Technion - Israel Institute of Technology(技术学院-以色列理工学院);ETAS Research University of Stuttgart(斯图加特大学ETAS研究所);Google Research(谷歌研究);Microsoft Research(微软研究院)
Timo Stoll, Chendi Qian, Ben Finkelshtein, Ali Parviz, Darius Weber, Fabrizio Frasca, Hadar Shavit, Antoine Siraudin, Arman Mielke, Marie Anastacio, Erik Müller… 展开作者

Timo Stoll, Chendi Qian, Ben Finkelshtein, Ali Parviz, Darius Weber, Fabrizio Frasca, Hadar Shavit, Antoine Siraudin, Arman Mielke, Marie Anastacio, Erik Müller, Maya Bechler-Speicher, Michael Bronstein, Mikhail Galkin, Holger Hoos, Mathias Niepert, Bryan Perozzi, Jan Tönshoff, Christopher Morris

AI总结:

GraphBench 提供标准化评估协议和统一超参数调优框架,用于评估图学习任务中的泛化能力,推动图学习领域的发展。

摘要:

图学习在分子性质预测和芯片设计等领域取得了显著进展。然而,基准测试实践仍碎片化,常依赖狭窄的任务特定数据集和不一致的评估协议,阻碍了可重复性和更广泛的发展。随着图基础模型的近期流行,这些弱点变得明显,现有基准测试不足以进行彻底评估。为了解决这些挑战,我们引入了GraphBench,一个涵盖多样现实领域和任务设置的综合基准套件,包括节点级、边级、图级和生成任务。GraphBench 提供标准化评估协议,包括一致的数据集划分和评估跨选定任务的分布外泛化能力的指标,以及统一的超参数调优框架。我们进一步使用最近的消息传递神经网络和图变换器模型评估GraphBench,为未来研究建立原则性基准。请访问www.graphbench.io获取更多详情。

英文摘要:

Machine learning on graphs has made substantial progress across domains such as molecular property prediction and chip design. Yet benchmarking practices remain fragmented, often relying on narrow, task-specific datasets and inconsistent evaluation protocols, hindering reproducibility and broader progress. With the recent popularity of graph foundation models, these weaknesses have become apparent, as existing benchmarks are insufficient for thorough evaluation. To address these challenges, we introduce GraphBench, a comprehensive benchmark suite spanning diverse real-world domains and task settings, including node-level, edge-level, graph-level, and generative tasks. GraphBench provides standardized evaluation protocols, including consistent dataset splits and metrics for assessing out-of-distribution generalization across selected tasks, as well as a unified hyperparameter-tuning framework. We further evaluate GraphBench with recent message-passing neural networks and graph transformer models, establishing principled baselines for future research. See www.graphbench.io for further details.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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