4 papers
MatterSim-MT: A multi-task foundation model for in silico materials characterization
Han Yang, Xixian Liu, Chenxi Hu +25
Accurate property characterization is a major bottleneck in materials design. While first-principles methods and task-specific machine-learning models have driven important progres…
Generative structure search for efficient and diverse discovery of molecular and crystal structures
Yifang Qin, Yu Shi, Junfu Tan +3
Predicting stable and metastable structures is central to molecular and materials discovery, but remains limited by the cost of searching high-dimensional energy landscapes. Deep g…
KappaFormer: Physics-aware Transformer for lattice thermal conductivity via cross-domain transfer learning
Mengfan Wu, Junfu Tan, Yu Zhu +1
Machine learning has been widely used for predicting material properties. However, efficient prediction of lattice thermal conductivity () remains a long-standing ch…
Unified ROI-based Image Compression Paradigm with Generalized Gaussian Model
Kai Hu, Junfu Tan, Fang Xu +2
Region-of-Interest (ROI)-based image compression allocates bits unevenly according to the semantic importance of different regions. Such differentiated coding typically induces a s…