Sun Yibo, Ni Jun
State Key Laboratory of Low-Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084, China.
Frontier Science Center for Quantum Information, Beijing 100084, China.
Entropy (Basel). 2024 Dec 20;26(12):1119. doi: 10.3390/e26121119.
The efficacy of machine learning has increased exponentially over the past decade. The utilization of machine learning to predict and design materials has become a pivotal tool for accelerating materials development. High-entropy alloys are particularly intriguing candidates for exemplifying the potency of machine learning due to their superior mechanical properties, vast compositional space, and intricate chemical interactions. This review examines the general process of developing machine learning models. The advances and new algorithms of machine learning in the field of high-entropy alloys are presented in each part of the process. These advances are based on both improvements in computer algorithms and physical representations that focus on the unique ordering properties of high-entropy alloys. We also show the results of generative models, data augmentation, and transfer learning in high-entropy alloys and conclude with a summary of the challenges still faced in machine learning high-entropy alloys today.
在过去十年中,机器学习的功效呈指数级增长。利用机器学习来预测和设计材料已成为加速材料开发的关键工具。由于其优异的机械性能、广阔的成分空间和复杂的化学相互作用,高熵合金是体现机器学习效力的特别引人关注的候选材料。本综述考察了开发机器学习模型的一般过程。在该过程的每个部分都介绍了机器学习在高熵合金领域的进展和新算法。这些进展既基于计算机算法的改进,也基于关注高熵合金独特有序特性的物理表示。我们还展示了高熵合金中生成模型、数据增强和迁移学习的结果,并总结了当今机器学习高熵合金仍面临的挑战。