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Large language models (LLMs) have large potential for molecular optimization, as they can gather external chemistry tools and enable collaborative interactions to iteratively refine molecular candidates. However, this potential remains…

Artificial Intelligence · Computer Science 2025-05-28 Hyomin Kim , Yunhui Jang , Sungsoo Ahn

Large language models (LLM) exhibit broad utility but face limitations in quantum sensor development, stemming from interdisciplinary knowledge barriers and involving complex optimization processes. Here we present QCopilot, an LLM-based…

Although Large Language Models (LLMs) have demonstrated remarkable code-generation ability, they still struggle with complex tasks. In real-world software development, humans usually tackle complex tasks through collaborative teamwork, a…

Software Engineering · Computer Science 2024-05-14 Yihong Dong , Xue Jiang , Zhi Jin , Ge Li

Automated code generation has long been considered the holy grail of software engineering. The emergence of Large Language Models (LLMs) has catalyzed a revolutionary breakthrough in this area. However, existing methods that only rely on…

Software Engineering · Computer Science 2025-08-27 Xu Lu , Weisong Sun , Yiran Zhang , Ming Hu , Cong Tian , Zhi Jin , Yang Liu

With the rapid evolution of large language models (LLM), reinforcement learning (RL) has emerged as a pivotal technique for code generation and optimization in various domains. This paper presents a systematic survey of the application of…

Recent advancements on Large Language Models (LLMs) enable AI Agents to automatically generate and execute multi-step plans to solve complex tasks. However, since LLM's content generation process is hardly controllable, current LLM-based…

Machine Learning · Computer Science 2024-08-13 Zelong Li , Wenyue Hua , Hao Wang , He Zhu , Yongfeng Zhang

Large language models (LLMs) have shown great promise in machine translation, but they still struggle with contextually dependent terms, such as new or domain-specific words. This leads to inconsistencies and errors that are difficult to…

Computation and Language · Computer Science 2024-10-29 Meiqi Chen , Fandong Meng , Yingxue Zhang , Yan Zhang , Jie Zhou

Large language models (LLMs) have transformed software development through code generation capabilities, yet their effectiveness for high-performance computing (HPC) remains limited. HPC code requires specialized optimizations for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-26 Asif Rahman , Veljko Cvetkovic , Kathleen Reece , Aidan Walters , Yasir Hassan , Aneesh Tummeti , Bryan Torres , Denise Cooney , Margaret Ellis , Dimitrios S. Nikolopoulos

Retrieval-Augmented Generation (RAG) enhances Large Language Models (LLMs) by incorporating external, domain-specific data into the generative process. While LLMs are highly capable, they often rely on static, pre-trained datasets, limiting…

Artificial Intelligence · Computer Science 2024-12-10 Aniruddha Salve , Saba Attar , Mahesh Deshmukh , Sayali Shivpuje , Arnab Mitra Utsab

Code translation transforms code between programming languages while preserving functionality, which is critical in software development and maintenance. While traditional learning-based code translation methods have limited effectiveness…

Software Engineering · Computer Science 2026-04-08 Zhiqiang Yuan , Weitong Chen , Hanlin Wang , Xin Peng , Zhenpeng Chen , Yiling Lou

This paper presents a novel approach for unified retrieval-augmented generation (RAG) systems using the recent emerging large language model (LLM) agent concept. Specifically, Agent LLM, which utilizes LLM as fundamental controllers, has…

Computation and Language · Computer Science 2025-06-02 Hoang Pham , Thuy-Duong Nguyen , Khac-Hoai Nam Bui

Code review, which aims at ensuring the overall quality and reliability of software, is a cornerstone of software development. Unfortunately, while crucial, Code review is a labor-intensive process that the research community is looking to…

Software Engineering · Computer Science 2024-09-26 Xunzhu Tang , Kisub Kim , Yewei Song , Cedric Lothritz , Bei Li , Saad Ezzini , Haoye Tian , Jacques Klein , Tegawende F. Bissyande

We present a novel approach for improving the design of ansatzes in Quantum Generative Adversarial Networks (qGANs) by leveraging Large Language Models (LLMs). By combining the strengths of LLMs with qGANs, our approach iteratively refines…

Quantum Physics · Physics 2025-03-18 Kento Ueda , Atsushi Matsuo

Automated code generation driven by Large Lan- guage Models (LLMs) has enhanced development efficiency, yet generating complex application-level software code remains challenging. Multi-agent frameworks show potential, but existing methods…

Software Engineering · Computer Science 2025-10-24 Qian Xiong , Bo Yang , Weisong Sun , Yiran Zhang , Tianlin Li , Yang Liu , Zhi Jin

Large Language Model (LLM)-based agents have demonstrated remarkable success in solving complex tasks across a wide range of general-purpose applications. However, their performance often degrades in context-specific scenarios, such as…

Artificial Intelligence · Computer Science 2025-02-19 Mourad Aouini , Jinan Loubani

Quantum computers leverage the unique advantages of quantum mechanics to achieve acceleration over classical computers for certain problems. Currently, various quantum simulators provide powerful tools for researchers, but simulating…

Quantum Physics · Physics 2024-10-31 Shuangxiang Zhou , Ronghang Chen , Zheng An , Shi-Yao Hou

Despite recent progress in generating hardware RTL code with LLMs, existing solutions still suffer from a substantial gap between practical application scenarios and the requirements of real-world RTL code development. Prior approaches…

Hardware Architecture · Computer Science 2025-09-10 Zhongzhi Yu , Mingjie Liu , Michael Zimmer , Yingyan Celine Lin , Yong Liu , Haoxing Ren

Recently, using Large Language Models (LLMs) to generate optimization models from natural language descriptions has became increasingly popular. However, a major open question is how to validate that the generated models are correct and…

Artificial Intelligence · Computer Science 2026-04-07 Alexander Zadorojniy , Segev Wasserkrug , Eitan Farchi

Refactoring is a constant activity in software development and maintenance. Scale and maintain software systems are based on code refactoring. However, this process is still labor intensive, as it requires programmers to analyze the…

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