1 citations · 1 across the 4 of their papers we have counts for
4 papers
CliffRank: A Dual-Branch Framework for Activity-Cliff Ranking Prediction
Kewei Li, Rongying Zhang, Peiyu Yang +4
Activity-cliff ranking remains difficult because local structural changes can cause large activity differences, while high-quality data that resolve the underlying mechanisms remai…
FLaG: Frequency-Domain Latent-attention Gated Pooling for Token Aggregation
Kewei Li, Rongying Zhang, Xueli Wang +6
Token aggregation converts token-level representations into fixed-dimensional sample representations, but most pooling methods operate only in the original token space. We introduc…
Frequency-Domain Latent Attention Gating for Cross-Domain Token Aggregation
Kewei Li, Rongying Zhang, Xueli Wang +5
Token aggregation is a common bottleneck in models that map token representations to sample-level predictions, yet most pooling methods operate only in the original token domain. W…
PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry
Rong Zhang, Rongqing Yuan, Boxue Tian
Predicting quantum chemical properties is a fundamental challenge for computational chemistry. While the development of graph neural networks has advanced molecular representation…