Scientific Knowledge-driven Decoding Constraints Improving the Reliability of LLMs

Maotian Ma, Zheni Zeng, Zhenghao Liu, Yukun Yan


Abstract
Large language models (LLMs) have shown strong knowledge reserves and task-solving capabilities, but still face the challenge of severe hallucination, hindering their practical application. Though scientific theories and rules can efficiently direct the behaviors of human manipulators, LLMs still do not utilize these highly-condensed knowledge sufficiently through training or prompting. To address this issue, we propose **SciDC**, an LLM generation method that integrate subject-specific knowledge with strong constraints. By adopting strong LLMs to automatically convert flexible knowledge into multi-layered, standardized rules, we build an extensible framework to effectively constrain the model generation on domain tasks. Experiments on scientific tasks including industrial formulation design, clinical tumor diagnosis and retrosynthesis planning, consistently demonstrate the effectiveness of our method, achieving a 12% accuracy improvement on average compared with vanilla generation. We further discuss the potential of LLMs in automatically inductively summarizing highly-condensed knowledge, looking ahead to practical solutions for accelerating the overall scientific research process. All the code of this paper can be obtained.
Anthology ID:
2026.findings-emnlp.1098
Volume:
Findings of the Association for Computational Linguistics: EMNLP 2026
Month:
October
Year:
2026
Address:
Budapest, Hungary
Editors:
Hung-Yi Lee, Sunipa Dev, Jessy Li, Desmond Elliott
Venue:
Findings
SIG:
SIGDAT
Publisher:
Association for Computational Linguistics
Note:
Pages:
23230–23244
Language:
URL:
https://aclanthology.org/2026.findings-emnlp.1098/
DOI:
Bibkey:
Cite (ACL):
Maotian Ma, Zheni Zeng, Zhenghao Liu, and Yukun Yan. 2026. Scientific Knowledge-driven Decoding Constraints Improving the Reliability of LLMs. In Findings of the Association for Computational Linguistics: EMNLP 2026, pages 23230–23244, Budapest, Hungary. Association for Computational Linguistics.
Cite (Informal):
Scientific Knowledge-driven Decoding Constraints Improving the Reliability of LLMs (Ma et al., Findings 2026)
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PDF:
https://aclanthology.org/2026.findings-emnlp.1098.pdf