Data-driven development of cycle prediction models for lithium metal batteries using multi modal mining

These authors contributed equally: J. Lee, J. Woo *: Corresponding author Corresponding author Email: Jihankim@kaist.ac.kr (Jihan Kim), stevepark@kaist.ac.kr (Steve Park), heetak.kim@kaist.ac.kr (Hee-Tak Kim) Abstract Recent advances in data-driven research have shown great potential in understanding the intricate relationships between materials and their performances. Herein, we introduce a novel multi modal data-driven approach employing an Automatic Battery data Collector (ABC) that integrates a large language model (LLM) with an automatic graph mining tool, Material Graph Digitizer (MatGD). This platform enables state-of-the-art accurate extraction of battery material data and cyclability performance metrics from diverse textual and graphical data sources. From the database derived through the ABC platform, we developed machine learning models that can accurately predict the capacity and stability of lithium metal batteries, which is the first-ever model developed to achieve such predictions. Our models were also experimentally validated, confirming practical applicability and reliability of our data-driven approach. INTRODUCTION Lithium metal batteries (LMBs) are a promising next-generation device that can achieve high capacity using lithium metal as an anode due to its exceptionally low density (0.534 g cm Therefore, these studies lack sufficient information to discern a comprehensive effect of different components on the battery performance. Additionally, previous mining research focused not on the entire battery cells but rather on the characteristics of individual battery components. Moreover, these studies were limited by the small number of entities considered and did not extract quantitative information such as concentrations or ratios. Furthermore, the absence of automatic graph mining tools made it difficult to obtain performance data from graphs, such as specific capacity and cycle stability.