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…
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…
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…