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Modern software systems continuously undergo code upgrades to enhance functionality, security, and performance, and Large Language Models (LLMs) have demonstrated remarkable capabilities in code migration tasks. However, while research on…

Software Engineering · Computer Science 2026-02-11 Xiang Li , Zhiwei Fei , Ying Ma , Jerry Zhang , Sarro Federica , He Ye

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

Multi-Agent Reinforcement Learning (MARL) methods have shown promise in enabling agents to learn a shared communication protocol from scratch and accomplish challenging team tasks. However, the learned language is usually not interpretable…

The birth of Foundation Models brought unprecedented results in a wide range of tasks, from language to vision, to robotic control. These models are able to process huge quantities of data, and can extract and develop rich representations,…

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

Research software refers to software development tools that accelerate discovery and simplifies access to digital infrastructures. However, although research software platforms can be built increasingly more innovative and powerful than…

Software Engineering · Computer Science 2018-12-27 Doug Mulholland , Paulo Alencar , Donald Cowan

Most prior works on communication in multi-agent reinforcement learning have focused on emergent communication, which often results in inefficient and non-interpretable systems. Inspired by the role of language in natural intelligence, we…

Multiagent Systems · Computer Science 2025-08-08 Maxime Toquebiau , Jae-Yun Jun , Faïz Benamar , Nicolas Bredeche

Multi-agent large language model frameworks are promising for complex multi step reasoning, yet existing systems remain weak for scientific and knowledge intensive domains due to static prompts and agent roles, rigid workflows, and…

Artificial Intelligence · Computer Science 2026-03-04 Yichao Feng , Haoran Luo , Zhenghong Lin , Yiqun Sun , Pengfei Wei , Lawrence B. Hsieh , Anh Tuan Luu

Automated paper reproduction has emerged as a promising approach to accelerate scientific research, employing multi-step workflow frameworks to systematically convert academic papers into executable code. However, existing frameworks often…

Artificial Intelligence · Computer Science 2025-12-03 Zijie Lin , Qilin Cai , Liang Shen , Mingjun Xiao

We introduce the concept of "Design Agents" for engineering applications, particularly focusing on the automotive design process, while emphasizing that our approach can be readily extended to other engineering and design domains. Our…

Artificial Intelligence · Computer Science 2025-12-04 Mohamed Elrefaie , Janet Qian , Raina Wu , Qian Chen , Angela Dai , Faez Ahmed

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

Computation and Language · Computer Science 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Large Language Models (LLMs) have shown remarkable capabilities in code generation tasks, yet they face significant limitations in handling complex, long-context programming challenges and demonstrating complex compositional reasoning…

Artificial Intelligence · Computer Science 2025-01-14 Amr Almorsi , Mohanned Ahmed , Walid Gomaa

The field of AI research is advancing at an unprecedented pace, enabling automated hypothesis generation and experimental design across diverse domains such as biology, mathematics, and artificial intelligence. Despite these advancements,…

Machine Learning · Computer Science 2025-10-07 Yaowenqi Liu , Bingxu Meng , Rui Pan , Yuxing Liu , Jerry Huang , Jiaxuan You , Tong Zhang

The rapid emergence of generative AI tools is transforming the way software is developed. Consequently, software engineering education must adapt to ensure that students not only learn traditional development methods but also understand how…

Software Engineering · Computer Science 2025-12-08 Uwe M. Borghoff , Mark Minas , Jannis Schopp

Recent advances in code generation models have unlocked unprecedented opportunities for automating feature engineering, yet their adoption in real-world ML teams remains constrained by critical challenges: (i) the scarcity of datasets…

Machine Learning · Computer Science 2026-01-19 Himanshu Thakur , Anusha Kamath , Anurag Muthyala , Dhwani Sanmukhani , Smruthi Mukund , Jay Katukuri

Frontier AI agents show increasing promise as scientific research assistants, and may eventually be useful for extended, open-ended research workflows. However, in order to use agents for novel research, we must first assess the underlying…

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang