Machine-Learning-Based Characterization and Inverse Design of Metamaterials

Abstract

Metamaterials, characterized by unique structures, exhibit exceptional properties applicable across various domains. Traditional methods like experiments and finite-element methods (FEM) have been extensively utilized to characterize these properties. However, exploring an extensive range of structures using these methods for designing desired structures with excellent properties can be time-intensive. This paper formulates a machine-learning-based approach to expedite predicting effective metamaterial properties, leading to the discovery of microstructures with diverse and outstanding characteristics. The process involves constructing 2D and 3D microstructures, encompassing porous materials, solid–solid-based materials, and fluid–solid-based materials. Finite-element methods are then employed to determine the effective properties of metamaterials. Subsequently, the Random Forest (RF) algorithm is applied for training and predicting effective properties. Additionally, the Aquila Optimizer (AO) method is employed for a multiple optimization task in inverse design. The regression model generates accurate estimation with a coefficient of determination higher than 0.98, a mean absolute percentage error lower than 0.088, and a root mean square error lower than 0.03, indicating that the machine-learning-based method can accurately characterize the metamaterial properties. An optimized structure with a high Young’s modulus and low thermal conductivity is designed by AO within the first 30 iterations. This approach accelerates simulating the effective properties of metamaterials and can design microstructures with multiple excellent performances. The work offers guidance to design microstructures in various practical applications such as vibration energy absorbers.