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Large Language Models (LLMs) have demonstrated their transformative potential across numerous disciplinary studies, reshaping the existing research methodologies and fostering interdisciplinary collaboration. However, a systematic…

Computation and Language · Computer Science 2025-07-14 Lu Xiang , Yang Zhao , Yaping Zhang , Chengqing Zong

Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…

Machine Learning · Computer Science 2024-12-13 Dong Hyeon Mok , Seoin Back

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Large Language Models (LLMs), with their abilities in knowledge acquisition and reasoning, can potentially enhance the various aspects of Self-adaptive Systems (SAS). Yet, the potential of LLMs in SAS remains largely unexplored and…

Software Engineering · Computer Science 2024-01-17 Jialong Li , Mingyue Zhang , Nianyu Li , Danny Weyns , Zhi Jin , Kenji Tei

The rapid development of Large Language Models (LLMs) demonstrates remarkable multilingual capabilities in natural language processing, attracting global attention in both academia and industry. To mitigate potential discrimination and…

Computation and Language · Computer Science 2025-01-08 Kaiyu Huang , Fengran Mo , Xinyu Zhang , Hongliang Li , You Li , Yuanchi Zhang , Weijian Yi , Yulong Mao , Jinchen Liu , Yuzhuang Xu , Jinan Xu , Jian-Yun Nie , Yang Liu

Unmanned Aerial Vehicles (UAVs) have emerged as a transformative technology across diverse sectors, offering adaptable solutions to complex challenges in both military and civilian domains. Their expanding capabilities present a platform…

Artificial Intelligence · Computer Science 2024-05-06 Shumaila Javaid , Nasir Saeed , Bin He

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

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

Artificial Intelligence · Computer Science 2024-11-05 Venkat Venkatasubramanian , Arijit Chakraborty

The rapid advances in Large Language Models (LLMs) have the potential to transform manufacturing industry, offering new opportunities to optimize processes, improve efficiency, and drive innovation. This paper provides a comprehensive…

The field of machine learning (ML) has gained widespread adoption, leading to significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML…

Machine Learning · Computer Science 2024-02-20 Lei Zhang , Yuge Zhang , Kan Ren , Dongsheng Li , Yuqing Yang

Large language models (LLMs) have emerged as transformative tools in medicine, with strong capabilities in language understanding, reasoning, and structured information extraction. Radiation oncology is particularly well suited for LLM…

With the emergence of Large Language Models (LLMs) and Vision Foundation Models (VFMs), multimodal AI systems benefiting from large models have the potential to equally perceive the real world, make decisions, and control tools as humans.…

Large Language Models (LLMs) are starting to be profiled as one of the most significant disruptions in the Software Testing field. Specifically, they have been successfully applied in software testing tasks such as generating test code, or…

Software Engineering · Computer Science 2025-09-30 Cristian Augusto , Antonia Bertolino , Guglielmo De Angelis , Francesca Lonetti , Jesús Morán

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

The increasing use of Advanced Language Models (ALMs) in diverse sectors, particularly due to their impressive capability to generate top-tier content following linguistic instructions, forms the core of this investigation. This study…

Machine Learning · Computer Science 2024-01-10 Kiran Thorat , Jiahui Zhao , Yaotian Liu , Hongwu Peng , Xi Xie , Bin Lei , Jeff Zhang , Caiwen Ding

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

Reasoning is a fundamental aspect of human intelligence that plays a crucial role in activities such as problem solving, decision making, and critical thinking. In recent years, large language models (LLMs) have made significant progress in…

Computation and Language · Computer Science 2023-05-29 Jie Huang , Kevin Chen-Chuan Chang

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across…

Machine Learning · Computer Science 2025-05-07 Da Zheng , Lun Du , Junwei Su , Yuchen Tian , Yuqi Zhu , Jintian Zhang , Lanning Wei , Ningyu Zhang , Huajun Chen

Chemical reaction engineering is key to industrial might and sustainable chemistry. This will be enabled using smart, efficient catalysts or catalysis ecosystems. This is possible with advanced artificial intelligence and machine learning…

Chemical Physics · Physics 2026-03-09 Rigoberto Advincula , Jihua Chen