4 papers
PETA:Parameter-Efficient Test-Time Adaptation for Virtual Screening
Jia-Qi Lin, Yinghua Yao, Chang-Dong Wang +2
Accurately ranking active ligands for a target protein pocket from massive chemical libraries remains a central challenge in virtual screening. DrugCLIP and its recent extensions s…
Reliable Neural Collapse Approximation for Open-World Test-Time Adaptation
Jia-Qi Lin, Yuangang Pan, Chang-Dong Wang +3
Test-Time Adaptation (TTA) methods aim to bridge the domain gap between the source and target domains. However, traditional TTA methods become ineffective when the label distributi…
Generative Co-Design of Antibody Sequences and Structures via Black-Box Guidance in a Shared Latent Space
Yinghua Yao, Yuangang Pan, Xixian Chen
Advancements in deep generative models have enabled the joint modeling of antibody sequence and structure, given the antigen-antibody complex as context. However, existing approach…
Alpha and Prejudice: Improving -sized Worst-case Fairness via Intrinsic Reweighting
Jing Li, Yinghua Yao, Yuangang Pan +3
Worst-case fairness with off-the-shelf demographics achieves group parity by maximizing the model utility of the worst-off group. Nevertheless, demographic information is often una…