Shuyuan Zhang

Stephen G. Dale, Nikita Kazeev, Alastair J. A. Price et al.

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a forward-looking view of AI-enabled science across biology, chemistry, climate science, mathematics, materials science, physics, self-driving laboratories and unconventional computing. Several shared themes emerge: the need for diverse and trustworthy data, transferable electronic-structure and interatomic models, AI systems integrated into end-to-end scientific workflows that connect simulations to experiments and generative systems grounded in synthesisability rather than purely idealised phases. Across domains, we highlight how large foundation models, active learning and self-driving laboratories can close loops between prediction and validation while maintaining reproducibility and physical interpretability. Taken together, these perspectives outline where AI-enabled science stands today, identify bottlenecks in data, methods and infrastructure, and chart concrete directions for building AI systems that are not only more powerful but also more transparent and capable of accelerating discovery in complex real-world environments.

Shuyuan Zhang, Chenhan Jiang, Zuoou Li et al.

3D generation from natural language offers significant potential to reduce expert manual modeling efforts and enhance accessibility to 3D assets. However, existing methods often yield unstructured meshes and exhibit poor interactivity, making them impractical for artistic workflows. To address these limitations, we represent 3D assets as shape programs and introduce ShapeCraft, a novel multi-agent framework for text-to-3D generation. At its core, we propose a Graph-based Procedural Shape (GPS) representation that decomposes complex natural language into a structured graph of sub-tasks, thereby facilitating accurate LLM comprehension and interpretation of spatial relationships and semantic shape details. Specifically, LLM agents hierarchically parse user input to initialize GPS, then iteratively refine procedural modeling and painting to produce structured, textured, and interactive 3D assets. Qualitative and quantitative experiments demonstrate ShapeCraft's superior performance in generating geometrically accurate and semantically rich 3D assets compared to existing LLM-based agents. We further show the versatility of ShapeCraft through examples of animated and user-customized editing, highlighting its potential for broader interactive applications.