Ziqian Xie — accepted AI-conference papers

2025

Towards precision protein-ligand affinity prediction benchmark: A Complete and Modification-Aware DAVIS Dataset

Ming Hsiu Wu, Ziqian Xie, Shuiwang Ji, Degui Zhi

NeurIPS 2025poster

Advancements in AI for science unlocks capabilities for critical drug discovery tasks such as protein-ligand binding affinity prediction. However, current models overfit to existing oversimplified datasets that does not represent naturally occurring and biologically relevant proteins with modificati…

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2024

Dissecting Query-Key Interaction in Vision Transformers

Xu Pan, Aaron Philip, Ziqian Xie, Odelia Schwartz

NeurIPS 2024spotlight

Self-attention in vision transformers is often thought to perform perceptual grouping where tokens attend to other tokens with similar embeddings, which could correspond to semantically similar features of an object. However, attending to dissimilar tokens can be beneficial by providing contextual i…

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