4 papers · 1 filter
BindCLIP: A Unified Contrastive-Generative Representation Learning Framework for Virtual Screening
Anjie Qiao, Zhen Wang, Yaliang Li +2
Virtual screening aims to efficiently identify active ligands from massive chemical libraries for a given target pocket. Recent CLIP-style models such as DrugCLIP enable scalable v…
Spectral Evolution Search: Efficient Inference-Time Scaling for Reward-Aligned Image Generation
Jinyan Ye, Zhongjie Duan, Zhiwen Li +4
Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that opt…
ReDiSC: A Reparameterized Masked Diffusion Model for Scalable Node Classification with Structured Predictions
Yule Li, Yifeng Lu, Zhen Wang +3
In recent years, graph neural networks (GNN) have achieved unprecedented successes in node classification tasks. Although GNNs inherently encode specific inductive biases (e.g., ac…
Transferability Bound Theory: Exploring Relationship between Adversarial Transferability and Flatness
Mingyuan Fan, Xiaodan Li, Cen Chen +2
A prevailing belief in attack and defense community is that the higher flatness of adversarial examples enables their better cross-model transferability, leading to a growing inter…