A deep autoencoder for electric double layer capacitance prediction in electrochemical sensors

Abstract

This study explores the application of a deep autoencoder neural network to accurately predict the electric double layer capacitance from real-world parameters in binary, asymmetric electrolytes under low concentration conditions. By utilizing a modest simulation-based dataset of just 250 samples, the deep autoencoder neural network model developed in this study effectively predicted the capacitance by learning the critical features and relationships of the electric double layer model and encoding this learned representation into a low-dimensional latent space. From the latent variables, the decoder block of the neural network learned to effectively recreate the high-dimensional input. To enhance the model's robustness, prevent overfitting, and better simulate real-world conditions, noise was incorporated into the training and test data. The model demonstrated strong performance across various conditions, such as ionic size, ionic charge, and surface potential, yielding satisfactory results on both clean and noisy test datasets. A key feature of this approach was the mapping of real-world electric double layer parameters to the latent variables of the model, allowing for direct input of physical parameters to predict the electric double layer capacitance. This research highlights the potential of machine learning techniques to expedite the design and analysis of complex multi-physics systems such as electrochemical sensors by reducing the dependence on extensive domain expertise throughout the design process.