4 papers
PeroMAS: A Multi-agent System of Perovskite Material Discovery
Yishu Wang, Wei Liu, Yifan Li +8
As a pioneer of the third-generation photovoltaic revolution, Perovskite Solar Cells (PSCs) are renowned for their superior optoelectronic performance and cost potential. The devel…
UniMatch: Universal Matching from Atom to Task for Few-Shot Drug Discovery
Ruifeng Li, Mingqian Li, Wei Liu +5
Drug discovery is crucial for identifying candidate drugs for various diseases.However, its low success rate often results in a scarcity of annotations, posing a few-shot learning…
GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs
Ruifeng Li, Mingqian Li, Wei Liu +1
Effective molecular representation learning is crucial for advancing molecular property prediction and drug design. Mainstream molecular representation learning approaches are base…
Contextual Representation Anchor Network to Alleviate Selection Bias in Few-Shot Drug Discovery
Ruifeng Li, Wei Liu, Xiangxin Zhou +4
In the drug discovery process, the low success rate of drug candidate screening often leads to insufficient labeled data, causing the few-shot learning problem in molecular propert…