Papers by Zhili Pu
MCLE-Mol: Empowering LLM with Molecular Comprehension and Low-Cost Continual Evolution for Interpretable Property Prediction (2026.findings-acl)
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Zhili Pu, Lantian Zhang, Hao Duan, Zhixing Zhang, Keyun Zhu, Yongqi Fan, Ruihui Hou, Tong Ruan, Yun Tang
| Challenge: | Large language models (LLMs) offer a new paradigm for molecular property prediction (MPP), yet a semantic gap between natural language and molecul representations limits their ability to capture structure–activity relationships (SAR). |
| Approach: | They propose an ML–LLM–Rule collaborative framework for MPP that injects ML-derived substructure attribution values into LLMs and calibrates them under specific chemical contexts. |
| Outcome: | The proposed framework outperforms baseline models on multiple benchmark datasets and is highly interpretable. |
Text-to-ES Bench: A Comprehensive Benchmark for Converting Natural Language to Elasticsearch Query (2025.acl-long)
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DonggeXue DonggeXue, Zhili Pu, Zhentao Xia, Hongli Sun, Ruihui Hou, Guangya Yu, Yupian Lin, Yongqi Fan, Jingping Liu, Tong Ruan
| Challenge: | Recent research on text-to-Query has explored using large language models to convert user query intent to executable code. |
| Approach: | They propose a novel semantic parsing task that leverages large language models to generate domain-specific language and post-processing code to support multi-index Elasticsearch queries. |
| Outcome: | The proposed model outperforms DeepSeek-R1 on the large Elasticsearch Dataset (LED) and BirdES datasets. |