The semiconductor industry has prioritized automating repetitive tasks by closed-loop, autonomous experimentation which enables accelerated optimization of complex multi-step processes. The emergence of machine learning (ML) has ushered in automated process with minimal human intervention. In this work, we develop SemiEpi, a self-driving automation platform capable of executing molecular beam epitaxy (MBE) growth with multi-steps, continuous in-situ monitoring, and on-the-fly feedback control. By integrating standard hardware, homemade software, curve fitting, and multiple ML models, SemiEpi operates autonomously, eliminating the need for extensive expertise in MBE processes to achieve optimal outcomes. The platform actively learns from previous experimental results, identifying favorable conditions and proposing new experiments to achieve the desired results. We standardize and optimize growth for InAs/GaAs quantum dots (QDs) heterostructures to showcase the power of ML-guided multi-step growth. A temperature calibration was implemented to get the initial growth condition, and fine control of the process was executed using ML. Leveraging RHEED movies acquired during the growth, SemiEpi successfully identified and optimized a novel route for multi-step heterostructure growth. This work demonstrates the capabilities of closed-loop, ML-guided systems in addressing challenges in multi-step growth for any device. Our method is critical to achieve repeatable materials growth using commercially scalable tools. Our strategy facilitates the development of a hardware-independent process and enhancing process repeatability and stability, even without exhaustive knowledge of growth parameters.

Thin film deposition is an essential step in the semiconductor process. During preparation or loading, the substrate is exposed to the air unavoidably, which has motivated studies of the process control to remove the surface oxide before thin film deposition. Optimizing the deoxidation process in molecular beam epitaxy (MBE) for a random substrate is a multidimensional challenge and sometimes controversial. Due to variations in semiconductor materials and growth processes, the determination of substrate deoxidation temperature is highly dependent on the grower's expertise; the same substrate may yield inconsistent results when evaluated by different growers. Here, we employ a machine learning (ML) hybrid convolution and vision transformer (CNN-ViT) model. This model utilizes reflection high-energy electron diffraction (RHEED) video as input to determine the deoxidation status of the substrate as output, enabling automated substrate deoxidation under a controlled architecture. This also extends to the successful application of deoxidation processes on other substrates. Furthermore, we showcase the potential of models trained on data from a single MBE equipment to achieve high-accuracy deployment on other equipment. In contrast to traditional methods, our approach holds exceptional practical value. It standardizes deoxidation temperatures across various equipment and substrate materials, advancing the standardization research process in semiconductor preparation, a significant milestone in thin film growth technology. The concepts and methods demonstrated in this work are anticipated to revolutionize semiconductor manufacturing in optoelectronics and microelectronics industries by applying them to diverse material growth processes.