Enabling Fast AI-Driven Inverse Design of a Multifunctional Nanosurface by Parallel Evolution Strategies.

Multifunctional nanosurfaces receive growing attention due to their versatile properties. Capillary force lithography (CFL) has emerged as a simple and economical method for fabricating these surfaces. In recent works, the authors proposed to leverage the evolution strategies (ES) to modify nanosurface characteristics with CFL to achieve specific functionalities such as frictional, optical, and bactericidal properties. For artificial intelligence (AI)-driven inverse design, earlier research integrates basic multiphysics principles such as dynamic viscosity, air diffusivity, surface tension, and electric potential with backward deep learning (DL) on the framework of ES. As a successful alternative to reinforcement learning, ES performed well for the AI-driven inverse design. However, the computational limitations of ES pose a critical technical challenge to achieving fast and efficient design. This paper addresses the challenges by proposing a parallel-computing-based ES (named parallel ES). The parallel ES demonstrated the desired speed and scalability, accelerating the AI-driven inverse design of multifunctional nanopatterned surfaces. Detailed parallel ES algorithms and cost models are presented, showing its potential as a promising tool for advancing AI-driven nanomanufacturing.