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For data-constrained, complex and dynamic industrial environments, there is a critical need for transferable and multimodal methodologies to enhance anomaly detection and therefore, prevent costs associated with system failures. Typically,…

Large language model (LLM) agents extend generative models with reasoning, tool use, and persistent memory, thereby enabling the automation of complex tasks. In healthcare, such systems could support documentation, care coordination, and…

Artificial Intelligence · Computer Science 2026-03-24 Wenxian Yang , Hanzheng Qiu , Bangqun Zhang , Chengquan Li , Zhiyong Huang , Xiaobin Feng , Rongshan Yu , Jiahong Dong

Large Language Models (LLMs) have shown significant potential in scientific discovery but struggle to bridge the gap between theoretical reasoning and verifiable physical simulation. Existing solutions operate in a passive…

Artificial Intelligence · Computer Science 2026-02-25 Bo Zhang , Jinfeng Zhou , Yuxuan Chen , Jianing Yin , Minlie Huang , Hongning Wang

Agents capable of carrying out general tasks on a computer can improve efficiency and productivity by automating repetitive tasks and assisting in complex problem-solving. Ideally, such agents should be able to solve new computer tasks…

Computation and Language · Computer Science 2023-11-20 Geunwoo Kim , Pierre Baldi , Stephen McAleer

Scientific and engineering verticals often suffer from data scarcity and strict executability requirements: models must generate not only fluent text, but also syntactically valid, tool-compilable scripts. We present a schema-first…

Computational Engineering, Finance, and Science · Computer Science 2026-01-16 Di Wang , Zhenhua Wu , Yu Liu , Kai Chang , Shaohua Wu

The manual, resource-intensive process of complying with the EU Taxonomy presents a significant challenge for companies. While Large Language Models (LLMs) offer a path to automation, research is hindered by a lack of public benchmark…

Computation and Language · Computer Science 2026-01-01 Jonathan Schmoll , Adam Jatowt

Assuring the safety and trustworthiness of autonomous systems is particularly difficult when learning-enabled components and open environments are involved. Formal methods provide strong guarantees but depend on complete models and static…

Software Engineering · Computer Science 2025-11-19 Angelo Ferrando

Large Language Models (LLMs) are increasingly applied in healthcare, yet ensuring their ethical integrity and safety compliance remains a major barrier to clinical deployment. This work introduces a multi-agent refinement framework designed…

Large language models (LLMs) have emerged as a dominant AI paradigm due to their exceptional text understanding and generation capabilities. However, their tendency to generate inconsistent or erroneous outputs challenges their reliability,…

Artificial Intelligence · Computer Science 2025-12-01 Yedi Zhang , Sun Yi Emma , Annabelle Lee Jia En , Jin Song Dong

Agentic systems have transformed how Large Language Models (LLMs) can be leveraged to create autonomous systems with goal-directed behaviors, consisting of multi-step planning and the ability to interact with different environments. These…

Artificial Intelligence · Computer Science 2026-01-27 Judy Zhu , Dhari Gandhi , Himanshu Joshi , Ahmad Rezaie Mianroodi , Sedef Akinli Kocak , Dhanesh Ramachandran

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably…

Computation and Language · Computer Science 2024-10-11 Yuan Chiang , Elvis Hsieh , Chia-Hong Chou , Janosh Riebesell

Recent research highlights the potential of multimodal foundation models in tackling complex decision-making challenges. However, their large parameters make real-world deployment resource-intensive and often impractical for constrained…

Machine Learning · Computer Science 2025-05-19 Donghoon Lee , Tung M. Luu , Younghwan Lee , Chang D. Yoo

This study analyzes the multiple functions of Large Language Models (LLMs) in transforming research and development (R&D) processes. By automating knowledge discovery, boosting hypothesis creation, integrating transdisciplinary insights,…

Computation and Language · Computer Science 2025-11-25 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Mahan Rofoosheh , Mohammad Zavvar

Large language models (LLMs) are transforming web search by shifting from document ranking to synthesizing answers, and are increasingly deployed as autonomous agentic search systems that iteratively interact with external knowledge…

Computation and Language · Computer Science 2026-05-19 Guangzhi Xiong , Qiao Jin , Xiao Wang , Yin Fang , Haolin Liu , Yifan Yang , Fangyuan Chen , Zhixing Song , Dengyu Wang , Minjia Zhang , Zhiyong Lu , Aidong Zhang

Large language models (LLMs) have exhibited remarkable capabilities across various domains. The ability to call external tools further expands their capability to handle real-world tasks. However, LLMs often follow an opaque reasoning…

Machine Learning · Computer Science 2025-11-20 Ruixin Zhang , Jon Donnelly , Zhicheng Guo , Ghazal Khalighinejad , Haiyang Huang , Alina Jade Barnett , Cynthia Rudin

The rapid adoption of Large Language Models (LLMs) in interactive systems has enabled the creation of dynamic, open-ended Role-Playing Agents (RPAs). However, evaluating these agents remains a significant challenge, as standard NLP metrics…

Computation and Language · Computer Science 2026-04-14 Riccardo Rosati , Edoardo Colucci , Massimiliano Bolognini , Adriano Mancini , Paolo Sernani

Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

Designing experiments and result interpretations are core scientific competencies, particularly in biology, where researchers perturb complex systems to uncover the underlying systems. Recent efforts to evaluate the scientific capabilities…

This paper introduces a new hybrid framework that combines Reinforcement Learning (RL) and Large Language Models (LLMs) to improve robotic manipulation tasks. By utilizing RL for accurate low-level control and LLMs for high level task…

Robotics · Computer Science 2026-04-01 Md Saad , Sajjad Hussain , Mohd Suhaib