arXiv Machine Learning By Weixiang Hong, Hongting Du, Jiayue Tang, Ruifeng Tan, Yangjian Quan, Jia Li, Jiaqiang Huang

Prototype-guided transfer of sparse literature knowledge for electrolyte additive discovery

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ProtoMI is a literature‑driven framework that learns structural priors from 126 reported boron‑containing electrolyte additives and applies them to screen 179,977 unlabeled candidates. Using graph contrastive learning, it identifies seven interpretable prototypes and adapts them through semi‑supervised contrastive learning, achieving enrichment factors of 9.2–45.6 while evaluating less than 2% of the candidate space. The method led to the discovery of four commercially accessible additives, including TNDB, which improves high‑temperature LiFePO4||graphite cycling by 34.93% and forms protective interphases that suppress solvent decomposition and Fe deposition.

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