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arXiv 2206.09166cs.LG
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NAS-Bench-Graph:面向图神经网络架构搜索的基准测试

NAS-Bench-Graph: Benchmarking Graph Neural Architecture Search

Tsinghua University(清华大学)

Yijian Qin, Ziwei Zhang, Xin Wang, Zeyang Zhang, Wenwu Zhu

AI总结:

针对图神经网络架构搜索实验设置不统一、计算成本高的问题,提出首个GraphNAS基准NAS-Bench-Graph,含26206种架构的预训练数据与统一评估协议,可通过查表高效获取性能,支持公平可复现的比较且兼容主流开源库。

摘要:

图神经网络架构搜索(GraphNAS)近年来在学术界和工业界均受到广泛关注,但两大关键挑战严重阻碍了GraphNAS的进一步研究。首先,由于实验设置缺乏统一标准,不同研究论文中的实验结果往往不具备可比性,甚至无法复现,导致比较有失公允。其次,GraphNAS通常需要海量计算资源,效率极低,没有大规模计算条件的研究人员难以开展相关研究。\n为解决上述挑战,我们提出NAS-Bench-Graph——一款专门为GraphNAS打造的基准测试工具,支持统一、可复现且高效的评估。具体而言,我们构建了一个统一、表达力强且紧凑的搜索空间,涵盖26206种独特的图神经网络(GNN)架构,并提出了一套标准化的评估协议。为避免不必要的重复训练,我们已在9个代表性图数据集上训练并评估了所有这些架构,记录了详细指标,包括每个epoch的训练、验证和测试性能,以及延迟、参数量等。基于我们提出的基准,GNN架构的性能可直接通过查表获取,无需额外计算,从而实现公平、完全可复现且高效的比较。\n为展示其用途,我们对NAS-Bench-Graph进行了深入分析,揭示了GraphNAS领域若干有趣的发现。我们还展示了该基准如何轻松兼容AutoGL、NNI等GraphNAS开源库。据我们所知,本工作是首个面向图神经网络架构搜索的基准。

英文摘要:

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the experimental setting, the empirical results in different research papers are often not comparable and even not reproducible, leading to unfair comparisons. Secondly, GraphNAS often needs extensive computations, which makes it highly inefficient and inaccessible to researchers without access to large-scale computation. To solve these challenges, we propose NAS-Bench-Graph, a tailored benchmark that supports unified, reproducible, and efficient evaluations for GraphNAS. Specifically, we construct a unified, expressive yet compact search space, covering 26,206 unique graph neural network (GNN) architectures and propose a principled evaluation protocol. To avoid unnecessary repetitive training, we have trained and evaluated all of these architectures on nine representative graph datasets, recording detailed metrics including train, validation, and test performance in each epoch, the latency, the number of parameters, etc. Based on our proposed benchmark, the performance of GNN architectures can be directly obtained by a look-up table without any further computation, which enables fair, fully reproducible, and efficient comparisons. To demonstrate its usage, we make in-depth analyses of our proposed NAS-Bench-Graph, revealing several interesting findings for GraphNAS. We also showcase how the benchmark can be easily compatible with GraphNAS open libraries such as AutoGL and NNI. To the best of our knowledge, our work is the first benchmark for graph neural architecture search.

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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