Ming Xiao

h-index35
2papers
3,534citations

2 Papers

1.2SOC-PHNov 26, 2025
AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions

Stephen G. Dale, Nikita Kazeev, Alastair J. A. Price et al.

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a forward-looking view of AI-enabled science across biology, chemistry, climate science, mathematics, materials science, physics, self-driving laboratories and unconventional computing. Several shared themes emerge: the need for diverse and trustworthy data, transferable electronic-structure and interatomic models, AI systems integrated into end-to-end scientific workflows that connect simulations to experiments and generative systems grounded in synthesisability rather than purely idealised phases. Across domains, we highlight how large foundation models, active learning and self-driving laboratories can close loops between prediction and validation while maintaining reproducibility and physical interpretability. Taken together, these perspectives outline where AI-enabled science stands today, identify bottlenecks in data, methods and infrastructure, and chart concrete directions for building AI systems that are not only more powerful but also more transparent and capable of accelerating discovery in complex real-world environments.

4.6LGJul 18, 2022
Vertical GaN Diode BV Maximization through Rapid TCAD Simulation and ML-enabled Surrogate Model

Albert Lu, Jordan Marshall, Yifan Wang et al.

In this paper, two methodologies are used to speed up the maximization of the breakdown volt-age (BV) of a vertical GaN diode that has a theoretical maximum BV of ~2100V. Firstly, we demonstrated a 5X faster accurate simulation method in Technology Computer-Aided-Design (TCAD). This allows us to find 50% more numbers of high BV (>1400V) designs at a given simulation time. Secondly, a machine learning (ML) model is developed using TCAD-generated data and used as a surrogate model for differential evolution optimization. It can inversely design an out-of-the-training-range structure with BV as high as 1887V (89% of the ideal case) compared to ~1100V designed with human domain expertise.