3 papers
stat.AP2026
ChargeBD: Character-Aware Heterogeneous Agent Reasoning for Guided Engineering in Battery Development
Rui Huang, Zekun Jiang, Mengran Hou +4
Redox-flow battery (RFB) research spans molecular design, electrolyte optimization, electrode and membrane materials, stack operation, system management, and safety analysis, makin…
cs.AI2026
Unleashing LLMs in Bayesian Optimization: Preference-Guided Framework for Scientific Discovery
Xinzhe Yuan, Zhuo Chen, Jianshu Zhang +4
Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimizat…
physics.chem-ph2026
NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers
Liujia Yang, Zhuo Yang, Jiaqing Xie +9
Nuclear Magnetic Resonance (NMR) spectroscopy is fundamental for molecular structure elucidation, yet interpreting spectra at scale remains time-consuming and highly expertise-depe…