3 papers
cs.LG2026
Active-GRPO: Adaptive Imitation and Self-Improving Reasoning for Molecular Optimization
Xuefeng Liu, Mingxuan Cao, Qinan Huang +3
Scientific reasoning is an increasingly important capability of large language models, yet improving the robustness and efficiency of training such reasoning remains a key open cha…
cs.AI2026
Science Earth: Towards A Planet-Scale Operating System for AI-Native Scientific Discovery
Zhe Zhao, Haibin Wen, Yingcheng Wu +10
Scientific discovery demands intelligence, perseverance, and serendipity across vast search spaces. Today, top scientific capabilities remain siloed--one AI system for biological a…
cs.LG2026
Molecular Representations in Implicit Functional Space via Hyper-Networks
Zehong Wang, Xiaolong Han, Qi Yang +10
Molecular representations fundamentally shape how machine learning systems reason about molecular structure and physical properties. Most existing approaches adopt a discrete pipel…