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arXiv 2109.09202cs.AI
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基于深度学习的自动化和可解释的本体扩展:化学领域的案例研究

Automated and Explainable Ontology Extension Based on Deep Learning: A Case Study in the Chemical Domain

Otto von Guericke University Magdeburg(马格德堡奥托·冯·格里克大学);Free University of Bozen-Bolzano(博尔扎诺自由大学);University College London(伦敦大学学院)

Adel Memariani, Martin Glauer, Fabian Neuhaus, Till Mossakowski, Janna Hastings

摘要:

参考本体提供了一个共享的词汇和知识资源,为他们的领域。手工建造使它们能够保持高质量,使它们能够在社区中被广泛接受。但是,手动开发过程不能扩展到大型域。我们提出了一种新的方法,自动本体扩展,并将其应用到ChEBI本体,一个突出的参考生命科学化学本体。我们在ChEBI本体的叶节点结构及其所属的类上训练了一个基于Transformer的深度学习模型。然后,该模型能够自动分类以前看不见的化学结构。该模型的总体F1得分为0.80,比我们之前在同一数据集上的结果提高了6个百分点。此外,我们还展示了可视化模型的注意力权重如何通过提供模型如何做出决策的洞察来帮助解释结果。

英文摘要:

Reference ontologies provide a shared vocabulary and knowledge resource for their domain. Manual construction enables them to maintain a high quality, allowing them to be widely accepted across their community. However, the manual development process does not scale for large domains. We present a new methodology for automatic ontology extension and apply it to the ChEBI ontology, a prominent reference ontology for life sciences chemistry. We trained a Transformer-based deep learning model on the leaf node structures from the ChEBI ontology and the classes to which they belong. The model is then capable of automatically classifying previously unseen chemical structures. The proposed model achieved an overall F1 score of 0.80, an improvement of 6 percentage points over our previous results on the same dataset. Additionally, we demonstrate how visualizing the model's attention weights can help to explain the results by providing insight into how the model made its decisions.

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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