论文标题
通过校准的深神经网络和自我训练提取化学蛋白相互作用
Extracting Chemical-Protein Interactions via Calibrated Deep Neural Network and Self-training
论文作者
论文摘要
在生物医学研究的许多领域,例如药物开发和药物副作用的预测,化学物质与蛋白质之间的相互作用从几种生物医学文章中提取。已经应用了几种自然语言处理方法,包括深神经网络(DNN)模型,以解决此问题。但是,这些方法是用硬标记的数据培训的,这些数据往往会过度自信,从而导致模型可靠性降解。为了估计数据不确定性并提高可靠性,“校准”技术已应用于深度学习模型。在这项研究中,为了提取化学 - 蛋白质相互作用,我们提出了一种基于DNN的方法,其中包含不确定性信息和校准技术。我们的模型首先使用预训练的语言理解模型编码输入序列,然后使用两种校准方法对其进行训练:混合训练和增加信心罚款损失。最后,通过使用估计的不确定性提取的增强数据对该模型进行了重新训练。我们的方法在生物抗衡性的VI化学任务方面取得了最先进的表现,同时保留了比以前的方法更高的校准能力。此外,我们的方法还提出了使用不确定性估算以提高性能的可能性。
The extraction of interactions between chemicals and proteins from several biomedical articles is important in many fields of biomedical research such as drug development and prediction of drug side effects. Several natural language processing methods, including deep neural network (DNN) models, have been applied to address this problem. However, these methods were trained with hard-labeled data, which tend to become over-confident, leading to degradation of the model reliability. To estimate the data uncertainty and improve the reliability, "calibration" techniques have been applied to deep learning models. In this study, to extract chemical--protein interactions, we propose a DNN-based approach incorporating uncertainty information and calibration techniques. Our model first encodes the input sequence using a pre-trained language-understanding model, following which it is trained using two calibration methods: mixup training and addition of a confidence penalty loss. Finally, the model is re-trained with augmented data that are extracted using the estimated uncertainties. Our approach has achieved state-of-the-art performance with regard to the Biocreative VI ChemProt task, while preserving higher calibration abilities than those of previous approaches. Furthermore, our approach also presents the possibilities of using uncertainty estimation for performance improvement.