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Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Large Language Models (LLMs) such as ChatGPT have transformed how we interact with and understand the capabilities of Artificial Intelligence (AI). However, the intersection of LLMs with the burgeoning field of Quantum Machine Learning…

Quantum Physics · Physics 2024-03-15 Yidong Liao , Chris Ferrie

Finite element (FE) analysis guides the design and verification of nearly all manufactured objects. It is at the core of computational engineering, enabling simulation of complex physical systems, from fluids and solids to multiphysics…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Rushikesh Deotale , Adithya Srinivasan , Yuan Tian , Tianyi Zhang , Pavlos Vlachos , Hector Gomez

Large Language Models (LLMs) have recently demonstrated strong potential for cybersecurity question answering (QA), supporting decision-making in real-time threat detection and response workflows. However, their substantial computational…

Cryptography and Security · Computer Science 2025-09-18 Onat Gungor , Roshan Sood , Harold Wang , Tajana Rosing

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Open-sourced Large Language Models (LLMs) have achieved great success in various NLP tasks, however, they are still far inferior to API-based models when acting as agents. How to integrate agent ability into general LLMs becomes a crucial…

Computation and Language · Computer Science 2024-03-20 Zehui Chen , Kuikun Liu , Qiuchen Wang , Wenwei Zhang , Jiangning Liu , Dahua Lin , Kai Chen , Feng Zhao

Background: Quantum computing is a rapidly growing new programming paradigm that brings significant changes to the design and implementation of algorithms. Understanding quantum algorithms requires knowledge of physics and mathematics,…

Computation and Language · Computer Science 2024-10-01 Giordano d'Aloisio , Sophie Fortz , Carol Hanna , Daniel Fortunato , Avner Bensoussan , Eñaut Mendiluze Usandizaga , Federica Sarro

Large Language Models (LLMs) have demonstrated significant capabilities, particularly in the domain of question answering (QA). However, their effectiveness in QA is often undermined by the vagueness of user questions. To address this…

Computation and Language · Computer Science 2025-02-26 Junhao Chen , Bowen Wang , Zhouqiang Jiang , Yuta Nakashima

Quantum computing is an emerging field recognized for the significant speedup it offers over classical computing through quantum algorithms. However, designing and implementing quantum algorithms pose challenges due to the complex nature of…

Quantum Physics · Physics 2025-12-17 Rui Yang , Ziruo Wang , Yuntian Gu , Tianyi Chen , Yitao Liang , Tongyang Li

The role of Large Language Models (LLMs) has not been extensively explored in analog circuit design, which could benefit from a reasoning-based approach that transcends traditional optimization techniques. In particular, despite their…

Machine Learning · Computer Science 2025-02-13 Lejla Skelic , Yan Xu , Matthew Cox , Wenjie Lu , Tao Yu , Ruonan Han

Chain-of-thought prompting significantly boosts the reasoning ability of large language models but still faces three issues: hallucination problem, restricted interpretability, and uncontrollable generation. To address these challenges, we…

Computation and Language · Computer Science 2024-09-20 Chen Liang , Zhifan Feng , Zihe Liu , Wenbin Jiang , Jinan Xu , Yufeng Chen , Yong Wang

Language models have become practical tools for quantum computing education and research, from summarizing technical papers to explaining theoretical concepts and answering questions about recent developments in the field. While existing…

Computation and Language · Computer Science 2026-02-11 Mohamed Afane , Kayla Laufer , Wenqi Wei , Ying Mao , Junaid Farooq , Ying Wang , Juntao Chen

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher

Superconducting circuits have demonstrated significant potential in quantum information processing and quantum sensing. Implementing novel control and measurement sequences for superconducting qubits is often a complex and time-consuming…

Quantum feature maps are a key component of quantum machine learning, encoding classical data into quantum states to exploit the expressive power of high-dimensional Hilbert spaces. Despite their theoretical promise, designing quantum…

Quantum Physics · Physics 2026-03-25 Kenya Sakka , Kosuke Mitarai , Keisuke Fujii

The design of Analog and Mixed-Signal (AMS) integrated circuits (ICs) often involves significant manual effort, especially during the transistor sizing process. While Machine Learning techniques in Electronic Design Automation (EDA) have…

Machine Learning · Computer Science 2025-09-03 Chang Liu , Emmanuel A. Olowe , Danial Chitnis

Open-source pre-trained Large Language Models (LLMs) exhibit strong language understanding and generation capabilities, making them highly successful in a variety of tasks. However, when used as agents for dealing with complex problems in…

Computation and Language · Computer Science 2024-04-01 Qinhao Zhou , Zihan Zhang , Xiang Xiang , Ke Wang , Yuchuan Wu , Yongbin Li

Large language models (LLMs) promise transformative change to fields as diverse as medical diagnosis, legal services, and software development. One reason for such an impact is LLMs' ability to make highly technical endeavors more…

Quantum Physics · Physics 2025-06-24 Elena R. Henderson , Jessie M. Henderson , Joshua Ange , Mitchell A. Thornton

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Recent advances in Large Language Models (LLMs) have demonstrated strong potential in code generation, yet their effectiveness in quantum computing remains underexplored. This paper benchmarks LLMs for PennyLane-based quantum code…

Artificial Intelligence · Computer Science 2025-09-01 Abdul Basit , Minghao Shao , Muhammad Haider Asif , Nouhaila Innan , Muhammad Kashif , Alberto Marchisio , Muhammad Shafique