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Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

机器学习 · 计算机科学 2025-10-28 Hongyu Guo

CO2 reduction requires efficient catalysts, yet materials discovery remains bottlenecked by 10-20 year development cycles requiring deep domain expertise. This paper demonstrates how large language models can assist the catalyst discovery…

材料科学 · 物理学 2026-03-18 AI Scientists , Xinyi Lin , Danqing Yin , Ying Guo

Across various sectors applications of eXplainableAI (XAI) gained momentum as the increasing black-boxedness of prevailing Machine Learning (ML) models became apparent. In parallel, Large Language Models (LLMs) significantly developed in…

The field of catalysis holds paramount importance in shaping the trajectory of sustainable development, prompting intensive research efforts to leverage artificial intelligence (AI) in catalyst design. Presently, the fine-tuning of…

机器学习 · 计算机科学 2024-05-29 Ludi Wang , Xueqing Chen , Yi Du , Yuanchun Zhou , Yang Gao , Wenjuan Cui

Although large language models (LLMs) have achieved excellent performance in a variety of evaluation benchmarks, they still struggle in complex reasoning tasks which require specific knowledge and multi-hop reasoning. To improve the…

计算与语言 · 计算机科学 2023-11-07 Zhipeng Chen , Kun Zhou , Beichen Zhang , Zheng Gong , Wayne Xin Zhao , Ji-Rong Wen

Large-scale language models (LLMs) have emerged as a groundbreaking innovation in the realm of question-answering and conversational agents. These models, leveraging different deep learning architectures such as Transformers, are trained on…

软件工程 · 计算机科学 2023-07-18 Fardin Ahsan Sakib , Saadat Hasan Khan , A. H. M. Rezaul Karim

Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…

材料科学 · 物理学 2026-02-26 Dong Hyeon Mok , Seoin Back , Victor Fung , Guoxiang Hu

Large language models (LLMs) have dramatically enhanced the field of language intelligence, as demonstrably evidenced by their formidable empirical performance across a spectrum of complex reasoning tasks. Additionally, theoretical proofs…

计算与语言 · 计算机科学 2023-11-21 Zhuosheng Zhang , Yao Yao , Aston Zhang , Xiangru Tang , Xinbei Ma , Zhiwei He , Yiming Wang , Mark Gerstein , Rui Wang , Gongshen Liu , Hai Zhao

Recent Large Language Models (LLMs) such as OpenAI o3-mini and DeepSeek-R1 use enhanced reasoning through Chain-of-Thought (CoT). Their potential in hardware design, which relies on expert-driven iterative optimization, remains unexplored.…

人工智能 · 计算机科学 2025-04-15 Luca Collini , Andrew Hennessee , Ramesh Karri , Siddharth Garg

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…

材料科学 · 物理学 2024-06-21 Shuyi Jia , Chao Zhang , Victor Fung

Fast and reliable validation of novel designs in complex physical systems such as batteries is critical to accelerating technological innovation. However, battery research and development remain bottlenecked by the prohibitively high time…

机器学习 · 计算机科学 2025-09-26 Jiawei Zhang , Yifei Zhang , Baozhao Yi , Yao Ren , Qi Jiao , Hanyu Bai , Weiran Jiang , Ziyou Song

The field of Artificial Intelligence (AI) continues to drive transformative innovations, with significant progress in conversational interfaces, autonomous vehicles, and intelligent content creation. Since the launch of ChatGPT in late…

计算与语言 · 计算机科学 2025-01-13 Hussain Ahmad , Diksha Goel

The past few decades have witnessed an upsurge in data, forming the foundation for data-hungry, learning-based AI technology. Conversational agents, often referred to as AI chatbots, rely heavily on such data to train large language models…

计算与语言 · 计算机科学 2024-11-19 Sumit Kumar Dam , Choong Seon Hong , Yu Qiao , Chaoning Zhang

Healthcare systems around the world are grappling with issues like inefficient diagnostics, rising costs, and limited access to specialists. These problems often lead to delays in treatment and poor health outcomes. Most current AI and deep…

人工智能 · 计算机科学 2025-12-22 Maliha Tabassum , M Shamim Kaiser

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,…

In recent times, the grandeur of Large Language Models (LLMs) has not only shone in the realm of natural language processing but has also cast its brilliance across a vast array of applications. This remarkable display of LLM capabilities…

计算与语言 · 计算机科学 2024-03-22 Hanieh Alipour , Nick Pendar , Kohinoor Roy

Fault diagnosis of lithium-ion batteries is critical for system safety. While existing deep learning methods exhibit superior detection accuracy, their "black-box" nature hinders interpretability. Furthermore, restricted by binary…

人工智能 · 计算机科学 2026-01-01 Songqi Zhou , Ruixue Liu , Boman Su , Jiazhou Wang , Yixing Wang , Benben Jiang

AI and generative AI tools, including chatbots like ChatGPT that rely on large language models (LLMs), have burst onto the scene this year, creating incredible opportunities to increase work productivity and improve our lives. Statisticians…

计算与语言 · 计算机科学 2024-03-27 Mark Glickman , Yi Zhang

Large Language Models (LLMs) as chatbots have drawn remarkable attention thanks to their versatile capability in natural language processing as well as in a wide range of tasks. While there has been great enthusiasm towards adopting such…

系统与控制 · 电气工程与系统科学 2024-06-24 Subir Majumder , Lin Dong , Fatemeh Doudi , Yuting Cai , Chao Tian , Dileep Kalathi , Kevin Ding , Anupam A. Thatte , Na Li , Le Xie

This paper takes an exploratory approach to examine the use of ChatGPT for pattern mining. It proposes an eight-step collaborative process that combines human insight with AI capabilities to extract patterns from known uses. The paper…

人工智能 · 计算机科学 2024-12-24 Michael Weiss
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