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Tetsuji Kuboyama

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Preprint Sep 2026

Weisfeiler-Lehman subtree encoding for Bayesian optimization of atomic configurations

The Weisfeiler-Lehman (WL) subtree kernel, which views configurations as element-labeled graphs and measures their similarity by how many local structural patterns they share, is introduced into Bayesian-optimization-based configuration search.

Akira Kusaba, Tatoshi Yonemori, Tetsuji Kuboyama et al. · 0 citations
#machine learning Preprint Sep 2026

How Many Labels Does Model Choice Need? Certificates and Budgets for Selective Prediction

Classifiers can make identical predictions yet require labels to compare their selective performance: confidence ranks weight the same errors differently. We quantify this requirement for the area under the generalized risk-coverage curve (AUGRC). A prelabel lower bound rules out insufficient budgets. With all labels k...

Tetsuji Kuboyama · 0 citations

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