9 accepted papers
3D molecular linker design is a critical task in structure-based drug discovery, which requires the precise synthesis of chemical bridges to connect fragments within the constrained environment of a protein binding pocket. Existing methods often suffer from environmental blindness, treating the inte
Drug combinations are widely used in modern medicine but may cause severe adverse drug reactions. Therefore, making effective drug-drug interactions (DDI) prediction is crucial for pharmacovigilance. Existing DDI prediction models are typically built from a structural perspective, assuming that drug
Whole-slide images (WSIs) provide gigapixel-scale visual evidence for cancer diagnosis, yet diagnostically relevant regions are typically sparse and embedded within large amounts of weakly informative tissue. Existing multiple instance learning methods often aggregate all patches by using attention
Vision foundation models (e.g., SAM2, CLIP) show strong generalization in natural image analysis but degrade significantly in specialized domains like medical imaging. This is critical for tasks such as brain tumor segmentation, where errors directly affect surgical planning and patient outcomes. In
Molecular representation plays a central role in computational drug discovery. Pharmacophores, functional groups responsible for molecular bioactivity, have been widely studied in cheminformatics. However, their incorporation into molecular representation learning, particularly in a context reasonin
In natural scenarios, vision models often encounter the challenge of complex degradation scenarios(e.g., rain, snow, fog, or motion blur). These degradations severely corrupt image features, causing existing models to treat rarely seen or unseen degraded images as “unfamiliar”, thereby losing their
Accurately modeling the target-drug complex at atom level presents a significant challenge in the computer-aided drug design. Traditional methods that rely solely on rigid transformations often fail to capture the adaptive interactions between targets and drugs, particularly during substantial confo…
In recent years, significant progress has been made in prototype-based learning methods for few-shot semantic segmentation. However, prototype features originating from the support images are interfered with by intra-class diversity and thus cannot be aligned with the query foreground, resulting in…
Accurate segmentation of lesions is crucial for disease diagnosis and treatment planning. However, blurring and low contrast in the imaging process can affect segmentation results. We have observed that noninvasive medical imaging shares considerable similarities with natural images under low light