36.4AIJun 1
Structure-Guided Adaptive Propagation for Protein-Protein Interaction Site PredictionEnqiang Zhu, Yizi Liu, Yilong Luo et al.
Accurate prediction of protein-protein interaction sites (PPIS) is essential for understanding cellular processes, disease mechanisms, and therapeutic target discovery. Graph-based deep learning has advanced PPIS prediction by incorporating residue-level structural context. However, most graph-based models still rely on fixed propagation schemes that treat all residues similarly, despite the structural and functional heterogeneity of protein interfaces. Such propagation may limit the ability to adapt information diffusion to local geometric environments, making it difficult to distinguish true interaction sites from structurally similar non-interacting neighbors. We present SGAP-PPIS, a structure-guided adaptive propagation model for PPIS prediction. Rather than using a fixed propagation mechanism, SGAP-PPIS leverages multi-scale geometric states from an equivariant graph neural network to generate residue-wise propagation coefficients. This design allows each residue to adaptively balance local feature preservation and neighborhood diffusion according to its geometric microenvironment. Experimental results show that SGAP-PPIS achieves competitive performance among the state-of-the-art methods on Test\_60. Ablation studies show that geometry-conditioned adaptive propagation, scale-aligned geometric guidance, and multi-step propagation-state representation jointly drive these improvements.
SIAug 6, 2025
Quasi-Clique Discovery via Energy DiffusionYu Zhang, Yilong Luo, Mingyuan Ma et al.
Discovering quasi-cliques -- subgraphs whose edge density exceeds a given threshold -- is a fundamental task in graph mining with applications to web spam detection, fraud screening, and e-commerce recommendation. However, existing methods for quasi-clique discovery on large-scale web graphs are often sensitive to random seeds or lack of explicit edge-density guarantees, making the task challenging in practice. This paper presents EDQC, an energy diffusion-based method for quasi-clique discovery. EDQC first employs an adaptive energy diffusion process to generate an energy ranking that highlights structurally cohesive regions. Guided by this energy ranking, the algorithm identifies a high-quality subgraph by minimizing conductance, a standard measure from community detection. This subgraph is then refined to meet the specified density threshold. Extensive experiments on 75 real-world graphs show that EDQC finds larger quasi-cliques on most datasets, with consistently lower variance across runs and competitive runtime. To the best of our knowledge, EDQC is the first method to incorporate energy diffusion into quasi-clique discovery.
IVJun 13, 2024
Enhancing Diagnostic Accuracy in Rare and Common Fundus Diseases with a Knowledge-Rich Vision-Language ModelMeng Wang, Tian Lin, Aidi Lin et al.
Previous foundation models for fundus images were pre-trained with limited disease categories and knowledge base. Here we introduce a knowledge-rich vision-language model (RetiZero) that leverages knowledge from more than 400 fundus diseases. For RetiZero's pretraining, we compiled 341,896 fundus images paired with texts, sourced from public datasets, ophthalmic literature, and online resources, encompassing a diverse range of diseases across multiple ethnicities and countries. RetiZero exhibits remarkable performance in several downstream tasks, including zero-shot disease recognition, image-to-image retrieval, AI-assisted clinical diagnosis,few-shot fine-tuning, and internal- and cross-domain disease identification. In zero-shot scenarios, RetiZero achieves Top-5 accuracies of 0.843 for 15 diseases and 0.756 for 52 diseases. For image retrieval, it achieves Top-5 scores of 0.950 and 0.886 for the same sets, respectively. AI-assisted clinical diagnosis results show that RetiZero's Top-3 zero-shot performance surpasses the average of 19 ophthalmologists from Singapore, China, and the United States. RetiZero substantially enhances clinicians' accuracy in diagnosing fundus diseases, in particularly rare ones. These findings underscore the value of integrating the RetiZero into clinical settings, where various fundus diseases are encountered.