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Large Language Models (LLMs) demonstrate potential in the field of scientific idea generation. However, the generated results often lack controllable academic context and traceable inspiration pathways. To bridge this gap, this paper…

Artificial Intelligence · Computer Science 2026-02-27 Pengzhen Xie , Huizhi Liang

Large Language Models (LLMs) demonstrate an impressive capacity to recall a vast range of factual knowledge. However, understanding their underlying reasoning and internal mechanisms in exploiting this knowledge remains a key research area.…

Computation and Language · Computer Science 2024-08-07 Marco Bronzini , Carlo Nicolini , Bruno Lepri , Jacopo Staiano , Andrea Passerini

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

While current large language models (LLMs) demonstrate remarkable linguistic capabilities through training on massive unstructured text corpora, they remain inadequate in leveraging structured scientific data (e.g., chemical molecular…

Machine Learning · Computer Science 2025-04-08 Weichen Dai , Zijie Dai , Zhijie Huang , Yixuan Pan , Xinhe Li , Xi Li , Yi Zhou , Ji Qi , Wu Jiang

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential…

Artificial Intelligence · Computer Science 2026-01-09 Isabella A. Stewart , Markus J. Buehler

Graphs provide a unified representation of semantic content and relational structure, making them a natural fit for domains such as molecular modeling, citation networks, and social graphs. Meanwhile, large language models (LLMs) have…

Machine Learning · Computer Science 2026-05-04 Haotian Xu , Yuning You , Tengfei Ma

Despite the advances in large language models (LLMs), how they use their knowledge for reasoning is not yet well understood. In this study, we propose a method that deconstructs complex real-world questions into a graph, representing each…

Computation and Language · Computer Science 2024-10-07 Miyoung Ko , Sue Hyun Park , Joonsuk Park , Minjoon Seo

Large Language Models (LLMs) have not only exhibited exceptional performance across various tasks, but also demonstrated sparks of intelligence. Recent studies have focused on assessing their capabilities on human exams and revealed their…

Computation and Language · Computer Science 2023-10-19 Zheyuan Zhang , Jifan Yu , Juanzi Li , Lei Hou

The understanding of large-scale scientific software poses significant challenges due to its diverse codebase, extensive code length, and target computing architectures. The emergence of generative AI, specifically large language models…

Software Engineering · Computer Science 2024-03-19 Kareem Shaik , Dali Wang , Weijian Zheng , Qinglei Cao , Heng Fan , Peter Schwartz , Yunhe Feng

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 proposed research aims to develop an innovative semantic query processing system that enables users to obtain comprehensive information about research works produced by Computer Science (CS) researchers at the Australian National…

Information Retrieval · Computer Science 2026-03-05 Runsong Jia , Bowen Zhang , Sergio J. Rodríguez Méndez , Pouya G. Omran

Scientific document retrieval is a critical task for enabling knowledge discovery and supporting research across diverse domains. However, existing dense retrieval methods often struggle to capture fine-grained scientific concepts in texts…

Information Retrieval · Computer Science 2026-01-27 Wonbin Kweon , Runchu Tian , SeongKu Kang , Pengcheng Jiang , Zhiyong Lu , Jiawei Han , Hwanjo Yu

Large language models (LLMs) show promise for improving the efficiency of qualitative analysis in large, multi-site health-services research. Yet methodological guidance for LLM integration into qualitative analysis and evidence of their…

Computation and Language · Computer Science 2026-01-22 Sasha Ronaghi , Emma-Louise Aveling , Maria Levis , Rachel Lauren Ross , Emily Alsentzer , Sara Singer

Systematic reviews are crucial for synthesizing scientific evidence but remain labor-intensive, especially when extracting detailed methodological information. Large language models (LLMs) offer potential for automating methodological…

Computation and Language · Computer Science 2025-10-14 Wenqing Zhang , Trang Nguyen , Elizabeth A. Stuart , Yiqun T. Chen

Scientific idea generation is central to discovery, requiring the joint satisfaction of novelty and scientific soundness. Unlike standard reasoning or general creative generation, scientific ideation is inherently open-ended and…

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG)…

Artificial Intelligence · Computer Science 2024-09-12 Vansh Sharma , Venkat Raman

The application of Artificial Intelligence (AI) in healthcare has been revolutionary, especially with the recent advancements in transformer-based Large Language Models (LLMs). However, the task of understanding unstructured electronic…

Computation and Language · Computer Science 2023-08-08 Shivani Shekhar , Simran Tiwari , T. C. Rensink , Ramy Eskander , Wael Salloum

Upgrades to advanced scientific user facilities such as next-generation x-ray light sources, nanoscience centers, and neutron facilities are revolutionizing our understanding of materials across the spectrum of the physical sciences, from…

Computational Engineering, Finance, and Science · Computer Science 2023-12-05 Michael H. Prince , Henry Chan , Aikaterini Vriza , Tao Zhou , Varuni K. Sastry , Matthew T. Dearing , Ross J. Harder , Rama K. Vasudevan , Mathew J. Cherukara

Large Language Models (LLMs) are shifting how scientific research is done. It is imperative to understand how researchers interact with these models and how scientific sub-communities like astronomy might benefit from them. However, there…

Scientific progress is driven by the deliberate articulation of what remains unknown. This study investigates the ability of large language models (LLMs) to identify research knowledge gaps in the biomedical literature. We define two…

Computation and Language · Computer Science 2025-10-30 Nourah M Salem , Elizabeth White , Michael Bada , Lawrence Hunter