AMBUSH: Collaborative Capture in Complex Environments with Neural Acceleration

Collaborative capture of dynamic targets is common in nature as an essential strategy for weaker species against the strong. Similar concepts have shown to be useful for numerous robotic applications, such as security and surveillance, search and rescue. However, most existing works focus on analytical and geometric solutions or end-to-end reinforcement learning methods, which are largely constrained to obstacle-free environments or scenarios with sparse, regularly distributed obstacles. This work tackles the problem from a unique perspective: the renowned strategy of``ambush'' alone would suffice for multiple slower pursuers to capture one faster evader with different levels of intelligence efficiently in complex environments. A parameterized strategy of ambush (including discrete and continuous parameters) is designed first, which takes into account the topological properties of the workspace, the truncated line-of-sight visibility, the relative speed ratio and the limited capture range. Then, a Hybrid Monte Carlo Tree Search (H-MCTS) algorithm is proposed to optimize the associated parameters through long-term planning, enabling the identification of highly promising parameters for future capture. Lastly, the neural acceleration is trained offline to learn the ranking of different choices of parameters across various environments, and to directly predict scores, replacing the rollout process in H-MCTS. The neural acceleration is adopted during online H-MCTS to accelerate the planning procedure while guaranteeing the planning quality. Its efficiency and effectiveness are validated in extensive simulations and hardware experiments, against evaders with different capabilities and intelligence levels, including two-times higher velocity and human-controlled behavior.

GPCR-Filter: a deep learning framework for efficient and precise GPCR modulator discovery

G protein-coupled receptors (GPCRs) govern diverse physiological processes and are central to modern pharmacology. Yet discovering GPCR modulators remains challenging because receptor activation often arises from complex allosteric effects rather than direct binding affinity, and conventional assays are slow, costly, and not optimized for capturing these dynamics. Here we present GPCR-Filter, a deep learning framework specifically developed for GPCR modulator discovery. We assembled a high-quality dataset of over 90,000 experimentally validated GPCR-ligand pairs, providing a robust foundation for training and evaluation. GPCR-Filter integrates the ESM-3 protein language model for high-fidelity GPCR sequence representations with graph neural networks that encode ligand structures, coupled through an attention-based fusion mechanism that learns receptor-ligand functional relationships. Across multiple evaluation settings, GPCR-Filter consistently outperforms state-of-the-art compound-protein interaction models and exhibits strong generalization to unseen receptors and ligands. Notably, the model successfully identified micromolar-level agonists of the 5-HT\textsubscript{1A} receptor with distinct chemical frameworks. These results establish GPCR-Filter as a scalable and effective computational approach for GPCR modulator discovery, advancing AI-assisted drug development for complex signaling systems.