3 papers
cond-mat.mtrl-sci2024
Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification
Ziduo Yang, Yi-Ming Zhao, Xian Wang +6
In computational molecular and materials science, determining equilibrium structures is the crucial first step for accurate subsequent property calculations. However, the recent di…
cs.CE2023
Lightweight equivariant model for efficient machine learning interatomic potentials
Ziduo Yang, Xian Wang, Yifan Li +3
In modern computational materials science, deep learning has shown the capability to predict interatomic potentials, thereby supporting and accelerating conventional simulations. H…
eess.IV2023
MedAugment: Universal Automatic Data Augmentation Plug-in for Medical Image Analysis
Zhaoshan Liu, Qiujie Lv, Yifan Li +2
Data augmentation (DA) has been widely leveraged in computer vision to alleviate data shortage, while its application in medical imaging faces multiple challenges. The prevalent DA…