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While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

The scarcity of data depicting dangerous situations presents a major obstacle to training AI systems for safety-critical applications, such as construction safety, where ethical and logistical barriers hinder real-world data collection.…

Artificial Intelligence · Computer Science 2025-05-21 Vu Dinh Xuan , Hao Vo , David Murphy , Hoang D. Nguyen

This paper presents a system for procedurally generating agent-based narratives using large language models (LLMs). Users could drag and drop multiple agents and objects into a scene, with each entity automatically assigned semantic…

Graphics · Computer Science 2025-12-24 Vinayak Regmi , Christos Mousas

Multi-agent simulation based on LLMs has increasingly emerged as a new paradigm for exploring complex social phenomena and validating theoretical hypotheses. However, traditional experimental design in the social sciences relies heavily on…

Human-Computer Interaction · Computer Science 2026-04-21 Yuwei Guo , Zihan Zhao , Xiaowei Liu , Xiangning Yu , Deyu Zhou

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

LLM workflows, which coordinate structured calls to individual LLMs/agents to achieve a particular goal, offer a promising path towards building powerful AI systems that can tackle diverse tasks. However, existing approaches for building…

Computation and Language · Computer Science 2026-05-04 Hongyeon Yu , Young-Bum Kim , Yoon Kim

The surge in popularity of large language models (LLMs) has opened doors for new approaches to the creation of interactive agents. However, managing and interpreting the temporal behavior of such agents over the course of a potentially…

Artificial Intelligence · Computer Science 2024-08-29 Raven Rothkopf , Hannah Tongxin Zeng , Mark Santolucito

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Security analysts are overwhelmed by the volume of alerts and the low context provided by many detection systems. Early-stage investigations typically require manual correlation across multiple log sources, a task that is usually…

Cryptography and Security · Computer Science 2026-04-29 Even Eilertsen , Vasileios Mavroeidis , Gudmund Grov

The engineering design process often demands expertise from multiple domains, leading to complex collaborations and iterative refinements. Traditional methods can be resource-intensive and prone to inefficiencies. To address this, we…

Artificial Intelligence · Computer Science 2026-01-01 Varun Kumar , George Em Karniadakis

Computer-Aided Design (CAD) is an expert-level task that relies on long-horizon reasoning and coherent modeling actions. Large Language Models (LLMs) have shown remarkable advancements in enabling language agents to tackle real-world tasks.…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Yifei Gong , Xing Wu , Wenda Liu , Kang Tu

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

Computation and Language · Computer Science 2025-10-08 Ziheng Geng , Jiachen Liu , Ran Cao , Lu Cheng , Haifeng Wang , Minghui Cheng

Automatically extracting workflows as procedural graphs from natural language is promising yet underexplored, demanding both structural validity and logical alignment. While recent large language models (LLMs) show potential for procedural…

Artificial Intelligence · Computer Science 2026-01-28 Wangyang Ying , Yanchi Liu , Xujiang Zhao , Wei Cheng , Zhengzhang Chen , Wenchao Yu , Yanjie Fu , Haifeng Chen

The growing complexity of power systems has made accurate load forecasting more important than ever. An increasing number of advanced load forecasting methods have been developed. However, the static design of current methods offers no…

Machine Learning · Computer Science 2025-05-23 Yu Zuo , Dalin Qin , Yi Wang

Text animation, a foundational element in video creation, enables efficient and cost-effective communication, thriving in advertisements, journalism, and social media. However, traditional animation workflows present significant usability…

Human-Computer Interaction · Computer Science 2025-06-13 Bao Zhang , Zihan Li , Zhenglei Liu , Huanchen Wang , Yuxin Ma

Extracting structured information from unstructured text is crucial for modeling real-world processes, but traditional schema mining relies on semi-structured data, limiting scalability. This paper introduces schema-miner, a novel tool that…

This paper reviews the architecture and implementation methods of agents powered by large language models (LLMs). Motivated by the limitations of traditional LLMs in real-world tasks, the research aims to explore patterns to develop…

Artificial Intelligence · Computer Science 2025-10-13 Victor de Lamo Castrillo , Habtom Kahsay Gidey , Alexander Lenz , Alois Knoll

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Large Language Models (LLMs) have increasingly demonstrated the ability to facilitate the development of multi-agent systems that allow the interpretation of thoughts and actions generated by each individual. Promising advancements have…

Multiagent Systems · Computer Science 2024-09-24 Asher Sprigler , Alexander Drobek , Keagan Weinstock , Wendpanga Tapsoba , Gavin Childress , Andy Dao , Lucas Gral

Large language models (LLMs) and agent techniques have brought a fundamental shift in the functionality and development paradigm of data analysis tasks (a.k.a LLM/Agent-as-Data-Analyst), demonstrating substantial impact across both academia…