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Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Edge intelligence delivers low-latency inference, yet most edge analytics remain hard-coded and must be redeployed as conditions change. When data patterns shift or new questions arise, engineers often need to write new scripts and push…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-14 Chinmaya Kumar Dehury , Siddharth Singh Kushwaha , Qiyang Zhang , Alaa Saleh , Praveen Kumar Donta

Recently, Large Language Models (LLMs) have been applied to scientific equation discovery, leveraging their embedded scientific knowledge for hypothesis generation. However, current methods typically confine LLMs to the role of an equation…

Artificial Intelligence · Computer Science 2026-02-18 Shijie Xia , Yuhan Sun , Pengfei Liu

We report a case study of four end-to-end attempts to autonomously generate ML research papers using a pipeline of six LLM agents mapped to stages of the scientific workflow. Of these four, three attempts failed during implementation or…

Machine Learning · Computer Science 2026-01-08 Dhruv Trehan , Paras Chopra

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

AI-based systems, currently driven largely by LLMs and tool-using agentic harnesses, are increasingly discussed as a possible threat to software engineering. Foundation models get stronger, agents can plan and act across multiple steps, and…

Software Engineering · Computer Science 2026-04-24 Robert Feldt , Per Lenberg , Julian Frattini , Dhasarathy Parthasarathy

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…

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 rapid adoption of AI agents across domains has made systematic evaluation crucial for ensuring their usefulness and successful production deployment. Evaluation of AI agents typically involves using a fixed set of benchmarks and…

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a…

Artificial Intelligence · Computer Science 2026-04-24 Bartosz Balis , Michal Orzechowski , Piotr Kica , Michal Dygas , Michal Kuszewski

The rapid expansion of scholarly literature presents significant challenges in synthesizing comprehensive, high-quality academic surveys. Recent advancements in agentic systems offer considerable promise for automating tasks that…

Digital Libraries · Computer Science 2025-11-25 Zi Wang , Xingqiao Wang , Sangah Lee , Xiaowei Xu

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

Agentic AI has significantly extended the capabilities of large language models (LLMs) by enabling complex reasoning and tool use. However, most existing frameworks are tailored to domains such as mathematics, coding, or web automation, and…

Artificial Intelligence · Computer Science 2025-10-15 Md Hasebul Hasan , Mahir Labib Dihan , Tanzima Hashem , Mohammed Eunus Ali , Md Rizwan Parvez

Recent deep research agents primarily improve performance by scaling reasoning depth, but this leads to high inference cost and latency in search-intensive scenarios. Moreover, generalization across heterogeneous research settings remains…

Large language model (LLM) agents rely on reusable skills to solve complex tasks. However, existing skill creation approaches treat skills as isolated and static artifacts, limiting their reusability, reliability, and long-term improvement.…

Artificial Intelligence · Computer Science 2026-05-27 Huawei Lin , Peng Li , Jie Song , Fuxin Jiang , Tieying Zhang

Autonomous coding agents built on large language models (LLMs) can now solve many general software and machine learning tasks, but they remain ineffective on complex, domain-specific scientific problems. Medical imaging is a particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Roshan Kenia , Xiaoman Zhang , Pranav Rajpurkar

As machine learning (ML) systems increasingly permeate high-stakes settings such as healthcare, transportation, military, and national security, concerns regarding their reliability have emerged. Despite notable progress, the performance of…

Machine Learning · Computer Science 2023-08-01 Anthony Corso , David Karamadian , Romeo Valentin , Mary Cooper , Mykel J. Kochenderfer

Advances in large language models (LLMs) are rapidly transforming scientific work, yet empirical evidence on how these systems reshape research activities remains limited. We report a mixed-methods pilot evaluation of an AI-orchestrated…

Computers and Society · Computer Science 2026-02-24 Yuan An

This position paper argues that, for long-horizon tasks evaluated across models with comparable frontier capability, the agent execution harness, namely the infrastructure layer that governs context construction, tool interaction,…

Artificial Intelligence · Computer Science 2026-05-26 Yunbei Zhang , Janet Wang , Yingqiang Ge , Weijie Xu , Jihun Hamm , Chandan K. Reddy