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Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Scientific progress in Earth science depends on integrating data across the planet's interconnected spheres. However, the accelerating volume and fragmentation of multi-sphere knowledge and data have surpassed human analytical capacity.…

AI research agents can now generate research ideas, design experiments, run code, and draft papers, raising the possibility of large-scale AI-assisted scientific discovery. Many current agent frameworks explicitly encourage the generation…

Computation and Language · Computer Science 2026-05-28 Yixuan Tang , Yi Yang

LLM-empowered multi-agent systems offer new potential to accelerate scientific discovery by generating novel research ideas. However, existing methods typically coordinate agents through temporary texts, such as drafts or chat logs; it is…

Multiagent Systems · Computer Science 2026-05-07 Jiangwen Dong , Bo Li , Wanyu Lin

Frontier scientific reasoning is rapidly emerging as a key foundation for advancing AI agents in automated scientific discovery. Deep research agents offer a promising approach to this challenge. These models develop robust problem-solving…

Artificial Intelligence · Computer Science 2026-05-27 Tianshi Zheng , Rui Wang , Xiyun Li , Kelvin Kiu Wai Tam , Newt Nguyen Kim Hue Nam , Wei Fan , Yangqiu Song , Tianqing Fang

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

In the rapidly advancing research fields such as AI, managing and staying abreast of the latest scientific literature has become a significant challenge for researchers. Although previous efforts have leveraged AI to assist with literature…

Computation and Language · Computer Science 2024-04-10 Xintao Wang , Jiangjie Chen , Nianqi Li , Lida Chen , Xinfeng Yuan , Wei Shi , Xuyang Ge , Rui Xu , Yanghua Xiao

In scientific research, analysis requires accurately interpreting complex multimodal knowledge, integrating evidence from different sources, and drawing inferences grounded in domain-specific knowledge. However, current artificial…

Computation and Language · Computer Science 2026-02-13 Xuehang Guo , Zhiyong Lu , Tom Hope , Qingyun Wang

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Artificial Intelligence · Computer Science 2026-01-30 Gabrielle Wehr , Reuben Rideaux , Amaya J. Fox , David R. Lightfoot , Jason Tangen , Jason B. Mattingley , Shane E. Ehrhardt

Automating scientific discovery in complex, experiment-driven domains requires more than iterative mutation of programs; it demands structured hypothesis management, environment interaction, and principled reflection. We present OR-Agent, a…

Artificial Intelligence · Computer Science 2026-02-26 Qi Liu , Ruochen Hao , Can Li , Wanjing Ma

The Science Consultant Agent is a web-based Artificial Intelligence (AI) tool that helps practitioners select and implement the most effective modeling strategy for AI-based solutions. It operates through four core components:…

Artificial Intelligence · Computer Science 2025-12-19 Karthikeyan K , Philip Wu , Xin Tang , Alexandre Alves

The rapid acceleration of scientific publishing has created substantial challenges for researchers attempting to discover, contextualize, and interpret relevant literature. Traditional keyword-based search systems provide limited semantic…

Information Retrieval · Computer Science 2025-12-16 Sina Jani , Arman Heidari , Amirmohammad Anvari , Zahra Rahimi

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

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

In this paper, we introduce SciGen, a new challenge dataset for the task of reasoning-aware data-to-text generation consisting of tables from scientific articles and their corresponding descriptions. Describing scientific tables goes beyond…

Computation and Language · Computer Science 2021-04-20 Nafise Sadat Moosavi , Andreas Rücklé , Dan Roth , Iryna Gurevych

AI-empowered music processing is a diverse field that encompasses dozens of tasks, ranging from generation tasks (e.g., timbre synthesis) to comprehension tasks (e.g., music classification). For developers and amateurs, it is very difficult…

Computation and Language · Computer Science 2023-10-26 Dingyao Yu , Kaitao Song , Peiling Lu , Tianyu He , Xu Tan , Wei Ye , Shikun Zhang , Jiang Bian

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

Robotics · Computer Science 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik