人工神经网络法鉴别红外光谱

Artificial Neural Network for the Identification of Infrared Spectra

本文将反向传播人工神经网络 (BP ANN)用于FTIR ,鉴别未知化合物。结果表明 ,当训练集样本不含噪声时 ,纯光谱的预测结果很好。而当训练集样本有少量噪声干扰时 ,预测结果随预测集样本的不同 ,而得到了不同的改善。

An Artificial Neural Network(ANN) was used to identify unknown infrared spectra.The Neural Network consisted of three layers was trained by a back propagation algorithm.In the first step of the experiment,the training set was pure spectra information,the neural network can only identify correctly the spectra without noise or with relatively low noise,in the second step,the training set was spectra information with relatively low noise,the identification results of the test sets was better than that of the first step.The results showed that artificial neural network can be used as a powerful tool in solving classification and identification problems.