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Related papers: Are LLMs Ready for Real-World Materials Discovery?

200 papers

Despite recent advances in large language models (LLMs) for materials science, there is a lack of benchmarks for evaluating their domain-specific knowledge and complex reasoning abilities. To bridge this gap, we introduce MSQA, a…

Artificial Intelligence · Computer Science 2025-06-02 Jerry Junyang Cheung , Shiyao Shen , Yuchen Zhuang , Yinghao Li , Rampi Ramprasad , Chao Zhang

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite…

Computation and Language · Computer Science 2026-04-21 Yibo Yan , Shen Wang , Jiahao Huo , Jingheng Ye , Zhendong Chu , Xuming Hu , Philip S. Yu , Carla Gomes , Bart Selman , Qingsong Wen

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical…

Computation and Language · Computer Science 2025-03-20 Shuguang Chen , Guang Lin

Large Language Models (LLMs) exhibit emerging in-context learning abilities through prompt engineering. The recent progress in large-scale generative models has further expanded their use in real-world language applications. However, the…

Computation and Language · Computer Science 2024-04-12 Linyi Yang , Shuibai Zhang , Zhuohao Yu , Guangsheng Bao , Yidong Wang , Jindong Wang , Ruochen Xu , Wei Ye , Xing Xie , Weizhu Chen , Yue Zhang

Large language models (LLMs) have demonstrated significant potential in the realm of natural language understanding and programming code processing tasks. Their capacity to comprehend and generate human-like code has spurred research into…

Software Engineering · Computer Science 2024-03-07 Chongzhou Fang , Ning Miao , Shaurya Srivastav , Jialin Liu , Ruoyu Zhang , Ruijie Fang , Asmita , Ryan Tsang , Najmeh Nazari , Han Wang , Houman Homayoun

As artificial intelligence (AI) gains greater adoption in a wide variety of applications, it has immense potential to contribute to mathematical discovery, by guiding conjecture generation, constructing counterexamples, assisting in…

Artificial Intelligence · Computer Science 2023-10-27 Hassen Saidi , Susmit Jha , Tuhin Sahai

Large language models (LLMs) have been applied to tasks in healthcare, ranging from medical exam questions to responding to patient questions. With increasing institutional partnerships between companies producing LLMs and healthcare…

Computation and Language · Computer Science 2024-04-10 Jesutofunmi A. Omiye , Haiwen Gui , Shawheen J. Rezaei , James Zou , Roxana Daneshjou

This paper provides a primer on Large Language Models (LLMs) and identifies their strengths, limitations, applications and research directions. It is intended to be useful to those in academia and industry who are interested in gaining an…

Computation and Language · Computer Science 2024-12-09 Sandra Johnson , David Hyland-Wood

Large language models (LLMs) have rapidly become familiar tools to researchers and practitioners. Concepts such as prompting, temperature, or few-shot examples are now widely recognized, and LLMs are increasingly used in Modeling &…

Artificial Intelligence · Computer Science 2026-02-06 Philippe J. Giabbanelli

The rapid advancement of Large Language Models (LLMs) has opened new possibilities in Multi-Robot Systems (MRS), enabling enhanced communication, task allocation and planning, and human-robot interaction. Unlike traditional single-robot and…

Robotics · Computer Science 2026-05-05 Peihan Li , Zijian An , Shams Abrar , Lifeng Zhou

Large Language Models (LLMs) have drawn widespread attention and research due to their astounding performance in text generation and reasoning tasks. Derivative products, like ChatGPT, have been extensively deployed and highly sought after.…

Software Engineering · Computer Science 2024-12-11 Zibin Zheng , Kaiwen Ning , Qingyuan Zhong , Jiachi Chen , Wenqing Chen , Lianghong Guo , Weicheng Wang , Yanlin Wang

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,…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

Materials Science · Physics 2025-03-04 Onur Boyar , Indra Priyadarsini , Seiji Takeda , Lisa Hamada

Large language models (LLMs), especially when instruction-tuned for chat, have become part of our daily lives, freeing people from the process of searching, extracting, and integrating information from multiple sources by offering a…

Computation and Language · Computer Science 2024-11-01 Yuxia Wang , Minghan Wang , Muhammad Arslan Manzoor , Fei Liu , Georgi Georgiev , Rocktim Jyoti Das , Preslav Nakov

Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge…

This paper investigates the capabilities of large language models (LLMs) in formulating and solving decision-making problems using mathematical programming. We first conduct a systematic review and meta-analysis of recent literature to…

Artificial Intelligence · Computer Science 2025-08-26 Mohammad J. Abdel-Rahman , Yasmeen Alslman , Dania Refai , Amro Saleh , Malik A. Abu Loha , Mohammad Yahya Hamed

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

Supply Chain Management requires addressing a variety of complex decision-making challenges, from sourcing strategies to planning and execution. Over the last few decades, advances in computation and information technologies have enabled…

Artificial Intelligence · Computer Science 2025-07-30 David Simchi-Levi , Konstantina Mellou , Ishai Menache , Jeevan Pathuri

The dissemination of false information on online platforms presents a serious societal challenge. While manual fact-checking remains crucial, Large Language Models (LLMs) offer promising opportunities to support fact-checkers with their…

Computation and Language · Computer Science 2024-10-31 Ivan Vykopal , Matúš Pikuliak , Simon Ostermann , Marián Šimko

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first…

Computation and Language · Computer Science 2025-01-09 Ziming Luo , Zonglin Yang , Zexin Xu , Wei Yang , Xinya Du