基于模型融合的强化学习药物-靶标相互作用预测方法

A MODEL FUSION BASED REINFORCEMENT LEARNING METHOD FOR DRUG-TARGET INTERACTION PREDICTION

  • 摘要: 针对不同机器学习模型之间的性能差异,导致在不同数据集上对DTI预测精度不准确的问题,提出一种基于模型融合的强化学习药物-靶标相互作用预测方法(MF-RLDTI)。将三个模型CMF、WNN-GIP和NetLapRLS进行训练并分别提取出预测分数矩阵;通过Sarsa算法连续优化三个矩阵的权重;进行线性加权以输出最终预测结果。对不同的预测模型进行对比,实验结果显示了MF-RLDTI方法在预测DTI的精度方面取得了较好的结果。

     

    Abstract: In order to address the issue that the performance differences between the machine learning models lead to inaccurate prediction of DTI on different datasets, a model fusion based reinforcement learning method for DTI is proposed(MF-RLDTI). We trained the three models, CMF, WNN-GIP, and NetLapRLS, and extracted the prediction score matrices separately. The Sarsa algorithm was used to continuously optimize the weights of the three matrices. The linear weighting was performed to output the final prediction result. Compared with different prediction models, the experimental results show that MF-RLDTI has high accuracy in DTI prediction.

     

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