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Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Scientific idea generation has been extensively studied in creativity theory and computational creativity research, providing valuable frameworks for understanding and implementing creative processes. However, recent work using Large…

Artificial Intelligence · Computer Science 2025-02-18 Tianyang Gu , Jingjin Wang , Zhihao Zhang , HaoHong Li

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Large language models (LLMs) have reshaped the research landscape by enabling new approaches to knowledge retrieval and creative ideation. Yet their application in discipline-specific experimental science, particularly in highly…

Machine Learning · Computer Science 2025-08-12 Rachel K. Luu , Jingyu Deng , Mohammed Shahrudin Ibrahim , Nam-Joon Cho , Ming Dao , Subra Suresh , Markus J. Buehler

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Large Language Models (LLMs) are versatile, yet they often falter in tasks requiring deep and reliable reasoning due to issues like hallucinations, limiting their applicability in critical scenarios. This paper introduces a rigorously…

Computation and Language · Computer Science 2023-11-21 Saizhuo Wang , Zhihan Liu , Zhaoran Wang , Jian Guo

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

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas.…

Computation and Language · Computer Science 2024-09-09 Chenglei Si , Diyi Yang , Tatsunori Hashimoto

Commonsense knowledge is essential for machines to reason about the world. Large language models (LLMs) have demonstrated their ability to perform almost human-like text generation. Despite this success, they fall short as trustworthy…

Artificial Intelligence · Computer Science 2024-10-18 Hannah YoungEun An , Lenhart K. Schubert

Large language models (LLMs) perform strongly on many language tasks but still struggle with complex multi-step reasoning across disciplines. Existing reasoning datasets often lack disciplinary breadth, reasoning depth, and diversity, as…

Computation and Language · Computer Science 2026-02-03 Weize Liu , Yongchi Zhao , Yijia Luo , Mingyu Xu , Jiaheng Liu , Yanan Li , Xiguo Hu , Zhiqi Bai , Yuchi Xu , Wenbo Su , Bo Zheng

The advancement of Large Language Models (LLMs), including GPT-4, provides exciting new opportunities for generative design. We investigate the application of this tool across the entire design and manufacturing workflow. Specifically, we…

This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…

Machine Learning · Computer Science 2025-10-14 Yanxi Chen , Yaliang Li , Bolin Ding , Jingren Zhou

Large language models (LLMs) are powerful AI tools that can generate and comprehend natural language text and other complex information. However, the field lacks a mathematical framework to systematically describe, compare and improve LLMs.…

Machine Learning · Computer Science 2023-11-07 Javier González , Aditya V. Nori

The rise of generative large language models (LLMs) has opened new opportunities for automating knowledge representation through concept maps, a long-standing pedagogical tool valued for fostering meaningful learning and higher-order…

Computers and Society · Computer Science 2025-09-19 Xiaoming Zhai

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

The rapid advancement of Large Language Models (LLMs) has resulted in interest in their potential applications within manufacturing systems, particularly in the context of Industry 5.0. However, determining when to implement LLMs versus…

Human-Computer Interaction · Computer Science 2025-05-27 John Oyekan , Christopher Turner , Michael Bax , Erich Graf

Large Language Models (LLMs) are often criticized for lacking true "understanding" and the ability to "reason" with their knowledge, being seen merely as autocomplete systems. We believe that this assessment might be missing a nuanced…

Artificial Intelligence · Computer Science 2024-06-18 Venkat Venkatasubramanian

Since the advent of Large Language Models (LLMs), efforts have largely focused on improving their instruction-following and deductive reasoning abilities, leaving open the question of whether these models can truly discover new knowledge.…

Computation and Language · Computer Science 2025-10-31 Kaiyu He , Zhiyu Chen