Long Xu

Long Xu, Shanghong Li, Yongquan Chen et al.

Interactive segmentation algorithms based on click points have garnered significant attention from researchers in recent years. However, existing studies typically use sparse click maps as model inputs to segment specific target objects, which primarily affect local regions and have limited abilities to focus on the whole target object, leading to increased times of clicks. In addition, most existing algorithms can not balance well between high performance and efficiency. To address this issue, we propose a click attention algorithm that expands the influence range of positive clicks based on the similarity between positively-clicked regions and the whole input. We also propose a discriminative affinity loss to reduce the attention coupling between positive and negative click regions to avoid an accuracy decrease caused by mutual interference between positive and negative clicks. Extensive experiments demonstrate that our approach is superior to existing methods and achieves cutting-edge performance in fewer parameters. An interactive demo and all reproducible codes will be released at https://github.com/hahamyt/ClickAttention.

Long Xu, Yongquan Chen, Rui Huang et al.

Click-point-based interactive segmentation has received widespread attention due to its efficiency. However, it's hard for existing algorithms to obtain precise and robust responses after multiple clicks. In this case, the segmentation results tend to have little change or are even worse than before. To improve the robustness of the response, we propose a structured click intent model based on graph neural networks, which adaptively obtains graph nodes via the global similarity of user-clicked Transformer tokens. Then the graph nodes will be aggregated to obtain structured interaction features. Finally, the dual cross-attention will be used to inject structured interaction features into vision Transformer features, thereby enhancing the control of clicks over segmentation results. Extensive experiments demonstrated the proposed algorithm can serve as a general structure in improving Transformer-based interactive segmenta?tion performance. The code and data will be released at https://github.com/hahamyt/scc.

Long Xu, Yongcai Chen, Fengshuo Liu et al.

Structure-Based Drug Design (SBDD) is a powerful strategy in computational drug discovery, utilizing three-dimensional protein structures to guide the design of molecules with improved binding affinity. However, capturing complex protein-ligand interactions across multiple scales remains challenging, as current methods often overlook the hierarchical organization and intrinsic asymmetry of these interactions. To address these limitations, we propose MSCoD, a novel Bayesian updating-based generative framework for structure-based drug design. In our MSCoD, Multi-Scale Information Bottleneck (MSIB) was developed, which enables semantic compression at multiple abstraction levels for efficient hierarchical feature extraction. Furthermore, a multi-head cooperative attention (MHCA) mechanism was developed, which employs asymmetric protein-to-ligand attention to capture diverse interaction types while addressing the dimensionality disparity between proteins and ligands. Empirical studies showed that MSCoD outperforms state-of-the-art methods on the benchmark dataset. Its real-world applicability is confirmed by case studies on difficult targets like KRAS G12D (7XKJ). Additionally, the MSIB and MHCA modules prove transferable, boosting the performance of GraphDTA on standard drug target affinity prediction benchmarks (Davis and Kiba). The code and data underlying this article are freely available at https://github.com/xulong0826/MSCoD.