6 papers
CatalyticMLLM: A Graph-Text Multimodal Large Language Model for Catalytic Materials
Yanjie Li, Jian Xu, Xu-Yao Zhang +4
Property prediction and inverse structural design of catalytic materials are typically modeled as two independent tasks: the former predicts target properties from given structures…
ExLLM: Experience-Enhanced LLM Optimization for Molecular Design and Beyond
Nian Ran, Yue Wang, Xiaoyuan Zhang +4
Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to…
MCCE: A Framework for Multi-LLM Collaborative Co-Evolution
Nian Ran, Zhongzheng Li, Yue Wang +5
Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolution…
Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI
Sha Zhang, Suorong Yang, Tong Xie +18
Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories…
Automated Flow Pattern Classification in Multi-phase Systems Using AI and Capacitance Sensing Techniques
Nian Ran, Fayez M. Al-Alweet, Richard Allmendinger +1
In multiphase flow systems, classifying flow patterns is crucial to optimize fluid dynamics and enhance system efficiency. Current industrial methods and scientific laboratories ma…
HR-Extreme: A High-Resolution Dataset for Extreme Weather Forecasting
Nian Ran, Peng Xiao, Yue Wang +4
The application of large deep learning models in weather forecasting has led to significant advancements in the field, including higher-resolution forecasting and extended predicti…