1 citations · 1 across the 3 of their papers we have counts for
4 papers
TagBO: LLM-Driven Task-Aware Graph Bayesian Optimization for Scientific Discovery
Xinzhe Yuan, Zimu Zeng, Zhuo Chen +6
Mixed-variable optimization in scientific discovery often requires exploring large combinatorial spaces under costly experimental evaluations, making sample?efficient Bayesian opti…
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…
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…
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…