3 citations · 6 across the 18 of their papers we have counts for
6 papers · 1 filter
Architecture-Aware Explanation Auditing for Industrial Visual Inspection
Sibo Jia, Zihang Zhao, Kunrong Li
Industrial visual inspection systems increasingly rely on deep classifiers whose heatmap explanations may appear visually plausible while failing to identify the image regions that…
UniField: RBF-Guided Electron Density Fusion for Enhanced Molecular Representations
Wei Zhang, Kun Li, Jiameng Chen +4
Current 3D geometric molecular representations predominantly focus on discrete atomic skeletons, inherently overlooking the continuous electron density (ED) field that fundamentall…
When Molecular Similarity Works: Property Cliffs Reveal Hidden Errors
Di Hu, Kun Li, Haojie Rao +6
Accurate prediction of molecular properties underpins drug discovery and material design, yet even state-of-the-art models remain vulnerable to localized failure modes that aggrega…
Learning to Select Source Domains: Proxy-Rewarded Policy Optimization for Molecular OOD Generalization
Zhuohao Lin, Kun Li, Jiameng Chen +4
Molecular property prediction under severe out-of-distribution (OOD) shifts remains challenging because conventional scaffold splits can retain local structural similarity between…
From Single-Step Edit Response to Multi-Step Molecular Optimization
Haojie Rao, Kun Li, Yida Xiong +5
Conditional molecular optimization aims to edit a molecule to realize a specified property shift. In practice, structurally similar molecule data is scarce, while decisions are inh…
PCEvo: Path-Consistent Molecular Representation via Virtual Evolutionary
Kun Li, Longtao Hu, Yida Xiong +6
Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific appl…