Yu Songlin, Chai Haiyang, Xiong Yuqi, Kang Ming, Geng Chengzhen, Liu Yu, Chen Yanqiu, Zhang Yaling, Zhang Qian, Li Changlin, Wei Hao, Zhao Yuhang, Yu Fengmei, Lu Ai
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, Sichuan, 621900, P. R. China.
State Key Laboratory of Environment-Friendly Energy Materials, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang, Sichuan, 621010, P. R. China.
Adv Mater. 2022 Jul;34(26):e2200908. doi: 10.1002/adma.202200908. Epub 2022 May 24.
Deep-learning (DL) methods, in consideration of their excellence in dealing with highly complex structure-performance relationships for materials, are expected to become a new design paradigm for breakthroughs in material performance. However, in most cases, it is impractical to collect massive-scale experimental data or open-source theoretical databases to support training DL models with sufficient prediction accuracy. In a dataset consisting of 483 porous silicone rubber observations generated via ink-writing additive manufacturing, this work demonstrates that constructing low-dimensional, accurate descriptors is the prerequisite for obtaining high-precision DL models based on small experimental datasets. On this basis, a unique convolutional bidirectional long short-term memory model with spatiotemporal features extraction capability is designed, whose hierarchical learning mechanism further reduces the requirement for the amount of data by taking full advantage of data information. The proposed approach can be expected as a powerful tool for innovative material design on small experimental datasets, which can also be used to explore the evolutionary mechanisms of the structures and properties of materials under complex working conditions.
深度学习(DL)方法,鉴于其在处理材料高度复杂的结构-性能关系方面的卓越表现,有望成为实现材料性能突破的新设计范式。然而,在大多数情况下,收集大规模实验数据或开源理论数据库以支持训练具有足够预测精度的DL模型是不切实际的。在一个由通过喷墨书写增材制造生成的483个多孔硅橡胶观测数据组成的数据集上,这项工作表明构建低维、准确的描述符是基于小实验数据集获得高精度DL模型的先决条件。在此基础上,设计了一种具有时空特征提取能力的独特卷积双向长短期记忆模型,其分层学习机制通过充分利用数据信息进一步降低了对数据量的要求。所提出的方法有望成为小实验数据集上创新材料设计的有力工具,还可用于探索复杂工作条件下材料结构和性能的演化机制。