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最適輸送を用いた推測的一般化とそのグラフノード分類への応用

arXiv cs.LG / 2026/3/11

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要点

  • 本論文は、エンコードされた特徴分布間のワッサースタイン距離を利用した、表現に基づく新しい推測学習の一般化境界を提案している。
  • これらの新たな境界は計算効率が高く、古典的な複雑性測度と比較してグラフノード分類における経験的な一般化とより良く整合している。
  • 研究は、GNNの集約が表現分布に及ぼす影響を明らかにし、ネットワークの深さに応じてクラス内の集中とクラス間の分離のトレードオフが生じることを示している。
  • このアプローチは、実際のグラフノード分類タスクで観察される、GNN深さと一般化誤差の非単調な関係を説明するものである。
  • 著者は理論的発展の再現性と実用化を促進するため、コードを公開している。

Computer Science > Machine Learning

arXiv:2603.09257 (cs)
[Submitted on 10 Mar 2026]

Title:Transductive Generalization via Optimal Transport and Its Application to Graph Node Classification

View a PDF of the paper titled Transductive Generalization via Optimal Transport and Its Application to Graph Node Classification, by MoonJeong Park and 7 other authors
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Abstract:Many existing transductive bounds rely on classical complexity measures that are computationally intractable and often misaligned with empirical behavior. In this work, we establish new representation-based generalization bounds in a distribution-free transductive setting, where learned representations are dependent, and test features are accessible during training. We derive global and class-wise bounds via optimal transport, expressed in terms of Wasserstein distances between encoded feature distributions. We demonstrate that our bounds are efficiently computable and strongly correlate with empirical generalization in graph node classification, improving upon classical complexity measures. Additionally, our analysis reveals how the GNN aggregation process transforms the representation distributions, inducing a trade-off between intra-class concentration and inter-class separation. This yields depth-dependent characterizations that capture the non-monotonic relationship between depth and generalization error observed in practice. The code is available at this https URL.
Subjects: Machine Learning (cs.LG); Machine Learning (stat.ML)
Cite as: arXiv:2603.09257 [cs.LG]
  (or arXiv:2603.09257v1 [cs.LG] for this version)
  https://doi.org/10.48550/arXiv.2603.09257
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arXiv-issued DOI via DataCite

Submission history

From: MoonJeong Park [view email]
[v1] Tue, 10 Mar 2026 06:43:18 UTC (160 KB)
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