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Scientific workflows in computational chemistry and materials science typically involve multiple interdependent steps, such as model preparation, system construction, simulation execution, and data analysis, that researchers have refined…

Recent large language models (LLMs) have demonstrated strong capabilities in understanding and generating code, from competitive programming to repository-level software engineering. In emerging agentic systems, code is no longer only a…

The emergence of agentic Artificial Intelligence (AI), which can operate autonomously, demonstrate goal-directed behavior, and adaptively learn, indicates the onset of a massive change in today's computing infrastructure. This study…

Emerging Technologies · Computer Science 2025-09-23 Nauman Ali Murad , Safia Baloch

Building custom data analysis platforms traditionally requires extensive software engineering expertise, limiting accessibility for many researchers. Here, I demonstrate that modern large language models (LLMs) and autonomous coding agents…

Other Quantitative Biology · Quantitative Biology 2025-10-14 Jesse G. Meyer

AI code generation tools are transforming software development, especially for novice and non-software developers, by enabling them to write code and build applications faster and with little to no human intervention. Vibe coding is the…

Software Engineering · Computer Science 2025-10-02 Ahmed Fawzy , Amjed Tahir , Kelly Blincoe

Autonomous AI agents are transforming software development and redefining how developers collaborate with AI. Prior research shows that the adoption and use of AI-powered tools differ between core and peripheral developers. However, it…

Software Engineering · Computer Science 2026-01-29 Shamse Tasnim Cynthia , Joy Krishan Das , Banani Roy

Spec-driven development (SDD) with AI coding agents provides a structured workflow, but agents often remain "context blind" in large, evolving repositories, leading to hallucinated APIs and architectural violations. We present Spec Kit…

Software Engineering · Computer Science 2026-04-08 Pardis Taghavi , Santosh Bhavani

The evolution of agentic systems represents a significant milestone in artificial intelligence and modern software systems, driven by the demand for vertical intelligence tailored to diverse industries. These systems enhance business…

Multiagent Systems · Computer Science 2025-01-03 Fouad Bousetouane

In recent years, agentic artificial intelligence (AI) systems are becoming increasingly widespread. These systems allow agents to use various tools, such as web browsers, compilers, and more. However, despite their popularity, agentic AI…

To unleash the full potential of AI for Science, we must untether the agents from a purely digital environment. The agent's ability to control and explore in real-world labs is essential because the physical lab remains foundational to…

Systems and Control · Electrical Eng. & Systems 2026-05-19 Zhenning Yang , Yuhan Chen , Patrick Tser Jern Kon , Tongyuan Miao , Hongyi Lin , Venkat Viswanathan , Danai Koutra , Ang Chen

AI agents today are mostly siloed - they either retrieve and reason over vast amount of digital information and knowledge obtained online; or interact with the physical world through embodied perception, planning and action - but rarely…

Artificial Intelligence · Computer Science 2025-07-31 Yining Hong , Rui Sun , Bingxuan Li , Xingcheng Yao , Maxine Wu , Alexander Chien , Da Yin , Ying Nian Wu , Zhecan James Wang , Kai-Wei Chang

Formal verification offers a path to provably correct software, but writing verified code remains expensive enough that the technique is rarely used in production. Recent large language models can accelerate this work, and recent benchmarks…

Logic in Computer Science · Computer Science 2026-05-28 Leo Yao

While AI coding tools have demonstrated potential to accelerate software development, their use in scientific computing raises critical questions about code quality and scientific validity. In this paper, we provide ten practical rules for…

Software Engineering · Computer Science 2025-11-03 Eric W. Bridgeford , Iain Campbell , Zijao Chen , Zhicheng Lin , Harrison Ritz , Joachim Vandekerckhove , Russell A. Poldrack

Software testing has progressed toward intelligent automation, yet current AI-based test generators still suffer from static, single-shot outputs that frequently produce invalid, redundant, or non-executable tests due to the lack of…

Software Engineering · Computer Science 2026-01-07 Saba Naqvi , Mohammad Baqar , Nawaz Ali Mohammad

For the past decade, the trajectory of generative artificial intelligence (AI) has been dominated by a model-centric paradigm driven by scaling laws. Despite significant leaps in visual fidelity, this approach has encountered a ``usability…

Artificial Intelligence · Computer Science 2026-02-06 Jiaheng Liu , Yuanxing Zhang , Shihao Li , Xinping Lei

Autonomous agents powered by Large Language Models are transforming AI, creating an imperative for the visualization field to embrace agentic frameworks. However, our field's focus on a human in the sensemaking loop raises critical…

Human-Computer Interaction · Computer Science 2025-09-17 Vaishali Dhanoa , Anton Wolter , Gabriela Molina León , Hans-Jörg Schulz , Niklas Elmqvist

Intelligent coding systems are transforming software development by enabling users to specify code behavior in natural language. However, the opaque decision-making of AI-driven coders raises trust and usability concerns, particularly for…

Software Engineering · Computer Science 2025-08-11 Xiangzhe Xu , Shiwei Feng , Zian Su , Chengpeng Wang , Xiangyu Zhang

Agentic AI systems, which leverage multiple autonomous agents and large language models (LLMs), are increasingly used to address complex, multi-step tasks. The safety, security, and functionality of these systems are critical, especially in…

Artificial Intelligence · Computer Science 2026-04-16 Edoardo Allegrini , Ananth Shreekumar , Z. Berkay Celik

As Agentic AI systems evolve from basic workflows to complex multi agent collaboration, robust protocols such as Google's Agent2Agent (A2A) become essential enablers. To foster secure adoption and ensure the reliability of these complex…

Cryptography and Security · Computer Science 2025-05-06 Idan Habler , Ken Huang , Vineeth Sai Narajala , Prashant Kulkarni

We study the problem of designing AI agents that can robustly cooperate with people in human-machine partnerships. Our work is inspired by real-life scenarios in which an AI agent, e.g., a virtual assistant, has to cooperate with new users…

Machine Learning · Computer Science 2020-06-17 Ahana Ghosh , Sebastian Tschiatschek , Hamed Mahdavi , Adish Singla
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