A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery
Yu Zhang, Xiusi Chen, Bowen Jin, Sheng Wang, Shuiwang Ji, Wei Wang, Jiawei Han
Abstract
In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the scientific discovery process. Nevertheless, previous surveys on scientific LLMs often concentrate on one or two fields or a single modality. In this paper, we aim to provide a more holistic view of the research landscape by unveiling cross-field and cross-modal connections between scientific LLMs regarding their architectures and pretraining techniques. To this end, we comprehensively survey over 260 scientific LLMs, discuss their commonalities and differences, as well as summarize pre-training datasets and evaluation tasks for each field and modality. Moreover, we investigate how LLMs have been deployed to benefit scientific discovery. Resources related to this survey are available at https://github.com/yuzhimanhua/ Awesome-Scientific-Language-Models .
Ask about this paper
Your agent reads all of it.
Lune indexed this paper to the last equation, along with the top-tier papers that cite it. Ask a question and the answer quotes them.
Your agent calls
Luneget_paper_fulltext
Free to start. No credit card required.
Terminal
Install the CLIlune papers fulltext a5ba1d66-878c-42c7-8323-ef134dd401bdCited by top-tier papers18
- AgentReview: Exploring Peer Review Dynamics with LLM AgentsYiqiao Jin, Qinlin Zhao, Yiyang Wang, Hao Chen et al.EMNLP 2024 · 24 citations
- SoSBench: Benchmarking Safety Alignment on Six Scientific DomainsFengqing Jiang, Fengbo Ma, Zhangchen Xu, Yuetai Li et al.ICLR 2026 · 14 citations
- A Survey of Large Language Models for Text-Guided Molecular Discovery: From Molecule Generation to OptimizationZiqing Wang, Kexin Zhang, Zihan Zhao, Yibo Wen et al.ACL 2026 · 10 citations
- mCLM: A Modular Chemical Language Model that Generates Functional and Makeable MoleculesCarl Edwards, Chi Han, Gawon Lee, Thao Nguyen et al.ICLR 2026 · 9 citations
- ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific DiscoveryZiru Chen, Shijie Chen, Yuting Ning, Qianheng Zhang et al.ICLR 2025 · 6 citations
Builds on62
- Language Models are Few-Shot LearnersTom B. Brown, Benjamin Mann, Nick Ryder, Melanie Subbiah et al.NeurIPS 2020 · 64,255 citations
- Learning Transferable Visual Models From Natural Language SupervisionAlec Radford, Jong Wook Kim, Chris Hallacy, Aditya Ramesh et al.ICML 2021 · 47,906 citations
- Training language models to follow instructions with human feedbackLong Ouyang, Jeffrey Wu, Xu Jiang, Diogo Almeida et al.NeurIPS 2022 · 24,707 citations
- Solving Quantitative Reasoning Problems with Language ModelsAitor Lewkowycz, Anders Andreassen, David Dohan, Ethan Dyer et al.NeurIPS 2022 · 2,039 citations
- MathVista: Evaluating Mathematical Reasoning of Foundation Models in Visual ContextsPan Lu, Hritik Bansal, Tony Xia, Jiacheng Liu et al.ICLR 2024 · 1,472 citations
Related papers
- Omni-Mol: Multitask Molecular Model for Any-to-any ModalitiesChengxin Hu, Hao Li, Yihe Yuan, Zezheng Song et al.NeurIPS 2025 · 5 citations
- ChemVLM: Exploring the Power of Multimodal Large Language Models in Chemistry AreaJunxian Li, Di Zhang, Xunzhi Wang, Zeying Hao et al.AAAI 2025 · 71 citations
- Fundamental Capabilities of Large Language Models and their Applications in Domain Scenarios: A SurveyJiawei Li, Yizhe Yang, Yu Bai, Xiaofeng Zhou et al.ACL 2024 · 15 citations
- From Automation to Autonomy: A Survey on Large Language Models in Scientific DiscoveryTianshi Zheng, Zheye Deng, Hong Ting Tsang, Weiqi Wang et al.EMNLP 2025 · 5 citations
- FORGE: Pre-Training Open Foundation Models for ScienceJunqi Yin, Sajal Dash, Feiyi Wang, Mallikarjun ShankarSC 2023 · 17 citations
