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Related papers: Towards Agentic Intelligence for Materials Science

200 papers

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

This paper presents a comprehensive sustainability assessment framework for document intelligence within supply chain operations, centered on agentic artificial intelligence (AI). We address the dual objective of improving automation…

Artificial Intelligence · Computer Science 2025-11-11 Diego Gosmar , Anna Chiara Pallotta , Giovanni Zenezini

As particle accelerators grow in complexity, traditional control methods face increasing challenges in achieving optimal performance. This paper envisions a paradigm shift: a decentralized multi-agent framework for accelerator control,…

Accelerator Physics · Physics 2025-09-04 Antonin Sulc , Thorsten Hellert , Raimund Kammering , Hayden Hoschouer , Jason St. John

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints,…

Machine Learning · Computer Science 2025-07-21 Xiaowen Ma , Chenyang Lin , Yao Zhang , Volker Tresp , Yunpu Ma

Agentic AI marks an important transition from single-step generative models to systems capable of reasoning, planning, acting, and adapting over long-lasting tasks. By integrating memory, tool use, and iterative decision cycles, these…

Cryptography and Security · Computer Science 2026-01-12 Sahaya Jestus Lazer , Kshitiz Aryal , Maanak Gupta , Elisa Bertino

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…

Multiagent Systems · Computer Science 2026-05-12 Yang Shen , Zhenyi Yi , Ziyi Zhao , Lijun Sun , Dongyang Li , Chin-Teng Lin , Yuhui Shi

Understanding and predicting the properties of inorganic materials is crucial for accelerating advancements in materials science and driving applications in energy, electronics, and beyond. Integrating material structure data with…

Artificial Intelligence · Computer Science 2025-04-29 Yingheng Tang , Wenbin Xu , Jie Cao , Weilu Gao , Steve Farrell , Benjamin Erichson , Michael W. Mahoney , Andy Nonaka , Zhi Yao

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

Heterogeneous hardware and dynamic workloads worsen long-standing OS bottlenecks in scalability, adaptability, and manageability. At the same time, advances in machine learning (ML), large language models (LLMs), and agent-based methods…

Operating Systems · Computer Science 2025-11-12 Yifan Zhang , Xinkui Zhao , Ziying Li , Guanjie Cheng , Jianwei Yin , Lufei Zhang , Zuoning Chen

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Reinforcement Learning (RL) has traditionally focused on training specialized agents to optimize predefined reward functions within narrowly defined environments. However, the advent of powerful Large Language Models (LLMs) and increasingly…

Artificial Intelligence · Computer Science 2026-05-18 Fangming Cui , Ruixiao Zhu , Cheng Fang , Sunan Li , Jiahong Li

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

Software Engineering · Computer Science 2026-01-21 Yongjian Tang , Thomas Runkler

The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…

Artificial Intelligence · Computer Science 2025-06-26 Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo

Significant digitalization of financial services in a short period of time has led to an urgent demand to have autonomous, transparent and real-time credit risk decision making systems. The traditional machine learning models are effective…

Artificial Intelligence · Computer Science 2026-01-06 Chandra Sekhar Kubam

The concept of the 'agent' has profoundly shaped Artificial Intelligence (AI) research, guiding development from foundational theories to contemporary applications like Large Language Model (LLM)-based systems. This paper critically…

Artificial Intelligence · Computer Science 2025-09-16 Jesse Gardner , Vladimir A. Baulin

Memory serves as the pivotal nexus bridging past and future, providing both humans and AI systems with invaluable concepts and experience to navigate complex tasks. Recent research on autonomous agents has increasingly focused on designing…

Computation and Language · Computer Science 2025-12-30 Jiafeng Liang , Hao Li , Chang Li , Jiaqi Zhou , Shixin Jiang , Zekun Wang , Changkai Ji , Zhihao Zhu , Runxuan Liu , Tao Ren , Jinlan Fu , See-Kiong Ng , Xia Liang , Ming Liu , Bing Qin

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang