BMJan 30
MuCO: Generative Peptide Cyclization Empowered by Multi-stage Conformation OptimizationYitian Wang, Fanmeng Wang, Angxiao Yue et al.
Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties. This task is challenging because a cyclic peptide often exhibits diverse, ring-shaped conformations, which cannot be well captured by deterministic prediction models derived from linear peptide folding. In this study, we propose MuCO (Multi-stage Conformation Optimization), a generative peptide cyclization method that models the distribution of cyclic peptide conformations conditioned on the corresponding linear peptide. In principle, MuCO decouples the peptide cyclization task into three stages: topology-aware backbone design, generative side-chain packing, and physics-aware all-atom optimization, thereby generating and optimizing conformations of cyclic peptides in a coarse-to-fine manner. This multi-stage framework enables an efficient parallel sampling strategy for conformation generation and allows for rapid exploration of diverse, low-energy conformations. Experiments on the large-scale CPSea dataset demonstrate that MuCO significantly outperforms state-of-the-art methods in consistently in physical stability, structural diversity, secondary structure recovery, and computational efficiency, making it a promising computational tool for exploring and designing cyclic peptides.
3.9DCApr 23
Systematizing Blockchain Research Themes and Design Patterns: Insights from the University Blockchain Research Initiative (UBRI)Chien-Chih Chen, Yitian Wang, Emma Nasseri et al.
The rapid expansion of blockchain and digital asset ecosystems has intensified the challenge of translating academic research into deployable systems and regulatory frameworks. While advances in cryptography, consensus, digital assets, and governance are substantial, institutional mechanisms that sustain research-to-deployment translation at ecosystem scale remain comparatively under-theorized. This paper examines the architectural and coordination patterns that enable such translation, using the University Blockchain Research Initiative (UBRI) network as a representative case of long-term academic and industry collaboration. Drawing on research outputs and convenings from 2022 to 2025, we synthesize recurring design tensions across technical and institutional domains, including scalability versus security, decentralization versus governance, and privacy versus compliance. Rather than cataloging individual projects, we abstract system-level themes that connect research contributions to deployment constraints and policy adaptation, providing a structured lens for understanding how academic research informs production architectures, regulatory development, and ecosystem resilience in emerging decentralized infrastructures.
AIJan 27, 2024
DiffuserLite: Towards Real-time Diffusion PlanningZibin Dong, Jianye Hao, Yifu Yuan et al.
Diffusion planning has been recognized as an effective decision-making paradigm in various domains. The capability of generating high-quality long-horizon trajectories makes it a promising research direction. However, existing diffusion planning methods suffer from low decision-making frequencies due to the expensive iterative sampling cost. To alleviate this, we introduce DiffuserLite, a super fast and lightweight diffusion planning framework, which employs a planning refinement process (PRP) to generate coarse-to-fine-grained trajectories, significantly reducing the modeling of redundant information and leading to notable increases in decision-making frequency. Our experimental results demonstrate that DiffuserLite achieves a decision-making frequency of 122.2Hz (112.7x faster than predominant frameworks) and reaches state-of-the-art performance on D4RL, Robomimic, and FinRL benchmarks. In addition, DiffuserLite can also serve as a flexible plugin to increase the decision-making frequency of other diffusion planning algorithms, providing a structural design reference for future works. More details and visualizations are available at https://diffuserlite.github.io/.