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ML libraries, often written in architecture-specific programming languages (ASPLs) that target domain-specific architectures, are key to efficient ML systems. However, writing these high-performance ML libraries is challenging because it…

Computation and Language · Computer Science 2025-09-22 Genghan Zhang , Weixin Liang , Olivia Hsu , Kunle Olukotun

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables,…

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods.…

Recent significant advances in integrating multiple Large Language Model (LLM) systems have enabled Agentic Frameworks capable of performing complex tasks autonomously, including novel scientific research. We develop and demonstrate such a…

Artificial Intelligence · Computer Science 2025-07-16 Darui Lu , Jordan M. Malof , Willie J. Padilla

Recent advancements in Large Language Models (LLMs) have spurred interest in deploying LLM agents to undertake tasks in the world. LLMs are often deployed in agent systems: code that orchestrates LLM calls and provides them with tools. We…

Artificial Intelligence · Computer Science 2025-05-20 Maxime Robeyns , Martin Szummer , Laurence Aitchison

Large Language Models (LLMs) are increasingly deployed within agentic systems - collections of interacting, LLM-powered agents that execute complex, adaptive workflows using memory, tools, and dynamic planning. While enabling powerful new…

Artificial Intelligence · Computer Science 2025-11-21 Dany Moshkovich , Sergey Zeltyn

Agentic AI denotes an architectural transition from stateless, prompt-driven generative models toward goal-directed systems capable of autonomous perception, planning, action, and adaptation through iterative control loops. This paper…

Software Engineering · Computer Science 2026-02-12 Mamdouh Alenezi

LLM agents are increasingly deployed to plan, retrieve, and write with tools, yet evaluation still leans on static benchmarks and small human studies. We present the Agent-Testing Agent (ATA), a meta-agent that combines static code…

Computation and Language · Computer Science 2025-08-26 Sameer Komoravolu , Khalil Mrini

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) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

Modern engineered systems increasingly involve complex sociotechnical environments where multiple agents, including humans and the emerging paradigm of agentic AI powered by large language models, must navigate social dilemmas that pit…

Artificial Intelligence · Computer Science 2025-10-28 Qiliang Chen , Sepehr Ilami , Nunzio Lore , Babak Heydari

Agentic methods have emerged as a powerful and autonomous paradigm that enhances reasoning, collaboration, and adaptive control, enabling systems to coordinate and independently solve complex tasks. We extend this paradigm to safety…

Artificial Intelligence · Computer Science 2025-10-30 Juan Ren , Mark Dras , Usman Naseem

The arrival of large language models (LLMs) capable of multi-step reasoning, tool use, and long-horizon planning has produced a qualitative shift in software engineering. Where earlier code-completion tools such as GitHub Copilot operated…

Software Engineering · Computer Science 2026-04-30 Happy Bhati

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

The exponential growth of scientific literature poses unprecedented challenges for researchers attempting to synthesize knowledge across rapidly evolving fields. We present \textbf{Agentic AutoSurvey}, a multi-agent framework for automated…

Information Retrieval · Computer Science 2025-09-24 Yixin Liu , Yonghui Wu , Denghui Zhang , Lichao Sun

Purpose: This paper introduces the concept of "Agentic Publication," a novel LLM-driven framework designed to complement traditional scientific publishing by transforming papers into interactive knowledge systems that address challenges…

Artificial Intelligence · Computer Science 2026-05-06 Roberto Pugliese , George Kourousias , Francesco Venier , Grazia Garlatti Costa