Two Revised Deep Neural Networks and Their Applications in Quantitative Analysis Based on Near-Infrared Spectroscopy

Small data sets make developing calibration models using deep neural networks difficult because it is easy to overfit the system. We developed two deep neural network architectures by revising two existing network architectures: the U-Net and the attention mechanism. The major changes were to use 1D...

Full description

Bibliographic Details
Main Authors: Hong-Hua Huang, Jian-Fei Luo, Feng Gan, Philip K. Hopke
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Applied Sciences
Subjects:
Online Access:https://www.mdpi.com/2076-3417/13/14/8494
Description
Summary:Small data sets make developing calibration models using deep neural networks difficult because it is easy to overfit the system. We developed two deep neural network architectures by revising two existing network architectures: the U-Net and the attention mechanism. The major changes were to use 1D convolutional layers to replace the fully connected layers. We also designed and combined average pooling and maximum pooling in our revised networks, respectively. We applied these revised network architectures to three publicly available data sets and the resulting calibration models can generate acceptable results for general quantitative analysis. It also generated rather good results for data sets that concern calibration transfer. It demonstrates that constructing network architectures by properly revising existing successful network architectures may provide additional choices in the exploration of the application of deep neural network in analytical chemistry.
ISSN:2076-3417