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This study analyzes the multiple functions of Large Language Models (LLMs) in transforming research and development (R&D) processes. By automating knowledge discovery, boosting hypothesis creation, integrating transdisciplinary insights,…

Computation and Language · Computer Science 2025-11-25 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Mahan Rofoosheh , Mohammad Zavvar

The integration of large language models (LLMs) and search engines represents a significant evolution in knowledge acquisition methodologies. However, determining the knowledge that an LLM already possesses and the knowledge that requires…

Computation and Language · Computer Science 2024-05-31 Jiejun Tan , Zhicheng Dou , Yutao Zhu , Peidong Guo , Kun Fang , Ji-Rong Wen

In autonomous exploration tasks, robots are required to explore and map unknown environments while efficiently planning in dynamic and uncertain conditions. Given the significant variability of environments, human operators often have…

Robotics · Computer Science 2025-03-11 Shuhao Liao , Xuxin Lv , Yuhong Cao , Jeric Lew , Wenjun Wu , Guillaume Sartoretti

Research scientists increasingly rely on implementing software to support their research. While previous research has examined the impact of identifier names on program comprehension in traditional programming environments, limited work has…

Software Engineering · Computer Science 2025-07-23 Gunnar Larsen , Carol Wong , Anthony Peruma

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to…

Computation and Language · Computer Science 2023-11-09 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana

In recent years, large language models (LLMs) have achieved state-of-the-art results in various biological sequence analysis tasks, such as sequence classification, structure prediction, and function prediction. Similar to advancements in…

Genomics · Quantitative Biology 2025-02-19 Wang Liang

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

We present a novel framework that integrates Large Language Models (LLMs) with automated planning and formal verification to streamline the creation and use of Markov Decision Processes (MDP). Our system leverages LLMs to extract structured…

Robotics · Computer Science 2026-01-12 Enrico Saccon , Davide De Martini , Matteo Saveriano , Edoardo Lamon , Luigi Palopoli , Marco Roveri

Novel research ideas play a critical role in advancing scientific inquiries. Recent advancements in Large Language Models (LLMs) have demonstrated their potential to generate novel research ideas by leveraging large-scale scientific…

Artificial Intelligence · Computer Science 2025-11-05 Keyu Zhao , Weiquan Lin , Qirui Zheng , Fengli Xu , Yong Li

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

The number of Language Models (LMs) dedicated to processing scientific text is on the rise. Keeping pace with the rapid growth of scientific LMs (SciLMs) has become a daunting task for researchers. To date, no comprehensive surveys on…

Computation and Language · Computer Science 2024-02-01 Xanh Ho , Anh Khoa Duong Nguyen , An Tuan Dao , Junfeng Jiang , Yuki Chida , Kaito Sugimoto , Huy Quoc To , Florian Boudin , Akiko Aizawa

Corpus distillation for biomedical large language models (LLMs) seeks to address the pressing challenge of insufficient quantity and quality in open-source annotated scientific corpora, which remains a bottleneck for effective LLM training…

Computation and Language · Computer Science 2025-12-19 Meng Xiao , Xunxin Cai , Qingqing Long , Chengrui Wang , Yuanchun Zhou , Hengshu Zhu

The use of Large Language Models (LLMs) has drawn growing interest within the scientific community. LLMs can handle large volumes of textual data and support methods for evidence synthesis. Although recent studies highlight the potential of…

Software Engineering · Computer Science 2026-02-12 Cauã Ferreira Barros , Marcos Kalinowski , Mohamad Kassab , Valdemar Vicente Graciano Neto

We present an approach for automatically generating and testing, in silico, social scientific hypotheses. This automation is made possible by recent advances in large language models (LLM), but the key feature of the approach is the use of…

General Economics · Economics 2024-04-26 Benjamin S. Manning , Kehang Zhu , John J. Horton

Large Language Models (LLMs) have shown great potential in the biomedical domain with the advancement of retrieval-augmented generation (RAG). However, existing retrieval-augmented approaches face challenges in addressing diverse queries…

Computation and Language · Computer Science 2024-10-17 Minda Hu , Licheng Zong , Hongru Wang , Jingyan Zhou , Jingjing Li , Yichen Gao , Kam-Fai Wong , Yu Li , Irwin King

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Machine Learning · Computer Science 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy

Uncertainty quantification (UQ) methods for large language models are predominantly designed by hand based on domain knowledge and heuristics, limiting their scalability and generality. We apply LLM-powered evolutionary search to…

Computation and Language · Computer Science 2026-04-07 Mikhail Seleznyov , Daniil Korbut , Viktor Moskvoretskii , Oleg Somov , Alexander Panchenko , Elena Tutubalina

Discovering improved policy optimization algorithms for language models remains a costly manual process requiring repeated mechanism-level modification and validation. Unlike simple combinatorial code search, this problem requires searching…

Computation and Language · Computer Science 2026-03-26 Sirui Xia , Yikai Zhang , Aili Chen , Siye Wu , Siyu Yuan , Yanghua Xiao

Designing optimization approaches, whether heuristic or meta-heuristic, usually demands extensive manual intervention and has difficulty generalizing across diverse problem domains. The combination of Large Language Models (LLMs) and…

Neural and Evolutionary Computing · Computer Science 2024-10-29 He Yu , Jing Liu

Large language models (LLMs) show remarkable potential in scientific hypothesis discovery. However, existing approaches face two critical limitations: they treat divergent exploratory ideation and convergent fine-grained refinement as…

Computation and Language · Computer Science 2026-05-29 Hongran An , Zonglin Yang
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