2 papers
cond-mat.mtrl-sci2026
An Efficient High-Degree, High-Order Equivariant Graph Neural Network for Direct Crystal Structure Optimization
Ziduo Yang, Wei Zhuo, Huiqiang Xie +2
Crystal structure optimization is fundamental to materials modeling but remains computationally expensive when performed with density-functional theory (DFT). Machine-learning (ML)…
cs.CV2023
Distance Guided Generative Adversarial Network for Explainable Binary Classifications
Xiangyu Xiong, Yue Sun, Xiaohong Liu +10
Despite the potential benefits of data augmentation for mitigating the data insufficiency, traditional augmentation methods primarily rely on the prior intra-domain knowledge. On t…