Inverse Design
Inverse design leverages computational methods, primarily machine learning, to efficiently discover optimal designs for materials and devices with desired properties, bypassing traditional trial-and-error approaches. Current research focuses on applying various deep learning architectures, including variational autoencoders, diffusion models, and neural operators, to diverse applications such as metamaterial design, polymer synthesis, and photonic device engineering. This accelerates the design process, enabling the creation of novel materials and devices with tailored functionalities for various technological applications, ranging from energy harvesting to advanced robotics.
Papers
Guided Diffusion for Fast Inverse Design of Density-based Mechanical Metamaterials
Yanyan Yang, Lili Wang, Xiaoya Zhai, Kai Chen, Wenming Wu, Yunkai Zhao, Ligang Liu, Xiao-Ming Fu
Compositional Generative Inverse Design
Tailin Wu, Takashi Maruyama, Long Wei, Tao Zhang, Yilun Du, Gianluca Iaccarino, Jure Leskovec
AI-guided inverse design and discovery of recyclable vitrimeric polymers
Yiwen Zheng, Prakash Thakolkaran, Agni K. Biswal, Jake A. Smith, Ziheng Lu, Shuxin Zheng, Bichlien H. Nguyen, Siddhant Kumar, Aniruddh Vashisth
Efficient Inverse Design Optimization through Multi-fidelity Simulations, Machine Learning, and Search Space Reduction Strategies
Luka Grbcic, Juliane Müller, Wibe Albert de Jong