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Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Materials Science · Physics 2025-08-12 Agada Joseph Oche , Arpan Biswas

Uncovering cause-and-effect mechanisms from data is fundamental to scientific progress. While large language models (LLMs) show promise for enhancing causal discovery (CD) from unstructured data, their application to the increasingly…

Machine Learning · Computer Science 2025-10-31 Jin Li , Shoujin Wang , Qi Zhang , Feng Liu , Tongliang Liu , Longbing Cao , Shui Yu , Fang Chen

Discovering new materials can have significant scientific and technological implications but remains a challenging problem today due to the enormity of the chemical space. Recent advances in machine learning have enabled data-driven methods…

Materials Science · Physics 2024-06-21 Shuyi Jia , Chao Zhang , Victor Fung

The large language model (LLM) has achieved significant success across various domains. However, the inherent complexity of causal problems and causal theory poses challenges in accurately describing them in natural language, making it…

Artificial Intelligence · Computer Science 2025-10-15 Kairong Han , Kun Kuang , Ziyu Zhao , Junjian Ye , Fei Wu

Computational social experiments, which typically employ agent-based modeling to create testbeds for piloting social experiments, not only provide a computational solution to the major challenges faced by traditional experimental methods,…

Computers and Society · Computer Science 2025-08-13 Jinghua Piao , Yuwei Yan , Nian Li , Jun Zhang , Yong Li

Building causal graphs can be a laborious process. To ensure all relevant causal pathways have been captured, researchers often have to discuss with clinicians and experts while also reviewing extensive relevant medical literature. By…

Computation and Language · Computer Science 2024-02-26 Stephanie Long , Tibor Schuster , Alexandre Piché

Large language models (LLMs) have recently shown remarkable performance in language tasks and beyond. However, due to their limited inherent causal reasoning ability, LLMs still face challenges in handling tasks that require robust causal…

Computation and Language · Computer Science 2025-03-13 Xin Li , Zhuo Cai , Shoujin Wang , Kun Yu , Fang Chen

Predicting highly-cited papers is a long-standing challenge due to the complex interactions of research content, scholarly communities, and temporal dynamics. Recent advances in large language models (LLMs) raise the question of whether…

Applications · Statistics 2026-01-21 Zhanshuo Ye , Yiming Hou , Rui Pan , Tianchen Gao , Hansheng Wang

Lexical Semantic Change Detection stands out as one of the few areas where Large Language Models (LLMs) have not been extensively involved. Traditional methods like PPMI, and SGNS remain prevalent in research, alongside newer BERT-based…

Computation and Language · Computer Science 2023-12-12 Ruiyu Wang , Matthew Choi

Large Language Models (LLMs) possess strong representation and reasoning capabilities, but their application to structure-based drug design (SBDD) is limited by insufficient understanding of protein structures and unpredictable molecular…

Machine Learning · Computer Science 2026-01-27 Xuanning Hu , Anchen Li , Qianli Xing , Jinglong Ji , Hao Tuo , Bo Yang

This paper presents a comprehensive exploration of leveraging Large Language Models (LLMs), specifically GPT-4, in the field of instructional design. With a focus on scaling evidence-based instructional design expertise, our research aims…

Computation and Language · Computer Science 2023-06-27 Gautam Yadav

Generative Large Language Models (gLLMs), such as ChatGPT, are increasingly being used in communication research for content analysis. Studies show that gLLMs can outperform both crowd workers and trained coders, such as research…

Artificial Intelligence · Computer Science 2025-10-29 Daria Kravets-Meinke , Hannah Schmid-Petri , Sonja Niemann , Ute Schmid

Causal inference in social science relies on end-to-end, intervention-centered research-design reasoning grounded in real-world policy interventions, but current benchmarks fail to evaluate this capability of large language models (LLMs).…

Large Language Models (LLMs) have shown impressive potential to simulate human behavior. We identify a fundamental challenge in using them to simulate experiments: when LLM-simulated subjects are blind to the experimental design (as is…

Artificial Intelligence · Computer Science 2025-11-25 George Gui , Olivier Toubia

Large language models (LLMs) exhibit remarkable capabilities on not just language tasks, but also various tasks that are not linguistic in nature, such as logical reasoning and social inference. In the human brain, neuroscience has…

Computation and Language · Computer Science 2025-02-14 Badr AlKhamissi , Greta Tuckute , Antoine Bosselut , Martin Schrimpf

This paper investigates the potential of AI models, particularly large language models (LLMs), to support knowledge exploration and augment human creativity during ideation. We present "Latent Lab" an interactive tool for discovering…

Artificial Intelligence · Computer Science 2023-11-23 Kevin Dunnell , Trudy Painter , Andrew Stoddard , Andy Lippman

Clinical Decision Support Systems (CDSS) utilize evidence-based knowledge and patient data to offer real-time recommendations, with Large Language Models (LLMs) emerging as a promising tool to generate plain-text explanations for medical…

Computation and Language · Computer Science 2023-10-04 D. Umerenkov , G. Zubkova , A. Nesterov

Large Language Models (LLMs) have significantly advanced natural language processing, demonstrating exceptional reasoning, tool usage, and memory capabilities. As their applications expand into multi-agent environments, there arises a need…

Computation and Language · Computer Science 2024-11-28 Lin Xu , Zhiyuan Hu , Daquan Zhou , Hongyu Ren , Zhen Dong , Kurt Keutzer , See Kiong Ng , Jiashi Feng

The analysis of students' emotions and behaviors is crucial for enhancing learning outcomes and personalizing educational experiences. Traditional methods often rely on intrusive visual and physiological data collection, posing privacy…

Computation and Language · Computer Science 2024-08-14 Kaito Tanaka , Benjamin Tan , Brian Wong

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, the understanding of their capability to process structured data like tables remains an under-explored area.…

Computation and Language · Computer Science 2024-07-18 Yuan Sui , Mengyu Zhou , Mingjie Zhou , Shi Han , Dongmei Zhang