arXiv:2412.14801cs.LG2024-12

用图结构预判KGE模型最佳超参数,无需试错

Extending TWIG: Zero-Shot Predictive Hyperparameter Selection for KGEs based on Graph Structure

  • 基于图结构特征构建通用性能预测模型
  • 在未见知识图谱上实现零样本超参数表现预测
  • 适合需快速部署KGE模型的科研与工程人员

知识图谱在生物医学、语言学及通用知识建模等领域广泛应用。为辅助知识图谱分析,知识图谱嵌入(KGE)可自动学习图中信息并进行链接预测。已有研究表明,知识图谱结构、KGE模型组件及超参数对性能影响显著。近期提出的拓扑加权智能生成(TWIG)模型能建模这些要素间的关系。本文扩展了TWIG研究,评估其在跨知识图谱设置下对ComplEx模型输出的模拟能力。结果表明:一、TWIG能在多种超参数设置和知识图谱上准确总结KGE性能,体现其对图结构与性能关系的通用认知;二、在零样本设定下,TWIG可成功预测未见知识图谱上的超参数表现。该发现提示未来或可通过类似TWIG的方法预先确定最优超参数,避免耗时的全量搜索。

原文摘要 · Abstract (English)

Knowledge Graphs (KGs) have seen increasing use across various domains -- from biomedicine and linguistics to general knowledge modelling. In order to facilitate the analysis of knowledge graphs, Knowledge Graph Embeddings (KGEs) have been developed to automatically analyse KGs and predict new facts based on the information in a KG, a task called "link prediction". Many existing studies have documented that the structure of a KG, KGE model components, and KGE hyperparameters can significantly change how well KGEs perform and what relationships they are able to learn. Recently, the Topologically-Weighted Intelligence Generation (TWIG) model has been proposed as a solution to modelling how each of these elements relate. In this work, we extend the previous research on TWIG and evaluate its ability to simulate the output of the KGE model ComplEx in the cross-KG setting. Our results are twofold. First, TWIG is able to summarise KGE performance on a wide range of hyperparameter settings and KGs being learned, suggesting that it represents a general knowledge of how to predict KGE performance from KG structure. Second, we show that TWIG can successfully predict hyperparameter performance on unseen KGs in the zero-shot setting. This second observation leads us to propose that, with additional research, optimal hyperparameter selection for KGE models could be determined in a pre-hoc manner using TWIG-like methods, rather than by using a full hyperparameter search.

知识图谱超参数优化零样本学习

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