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Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

Natural language processing (NLP) has significantly influenced scientific domains beyond human language, including protein engineering, where pre-trained protein language models (PLMs) have demonstrated remarkable success. However,…

Computation and Language · Computer Science 2025-03-20 Yang Tan , Chen Liu , Jingyuan Gao , Banghao Wu , Mingchen Li , Ruilin Wang , Lingrong Zhang , Huiqun Yu , Guisheng Fan , Liang Hong , Bingxin Zhou

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

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after…

Artificial Intelligence · Computer Science 2025-09-03 Jinyuan Fang , Yanwen Peng , Xi Zhang , Yingxu Wang , Xinhao Yi , Guibin Zhang , Yi Xu , Bin Wu , Siwei Liu , Zihao Li , Zhaochun Ren , Nikos Aletras , Xi Wang , Han Zhou , Zaiqiao Meng

The rapid proliferation of scientific knowledge presents a grand challenge: transforming this vast repository of information into an active engine for discovery, especially in high-stakes domains like healthcare. Current AI agents, however,…

Artificial Intelligence · Computer Science 2025-10-14 Yinghao Zhu , Yifan Qi , Zixiang Wang , Lei Gu , Dehao Sui , Haoran Hu , Xichen Zhang , Ziyi He , Junjun He , Liantao Ma , Lequan Yu

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is…

The efficacy of AI agents in healthcare research is hindered by their reliance on static, predefined strategies. This creates a critical limitation: agents can become better tool-users but cannot learn to become better strategic planners, a…

Artificial Intelligence · Computer Science 2025-08-08 Huiya Zhao , Yinghao Zhu , Zixiang Wang , Yasha Wang , Junyi Gao , Liantao Ma

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding…

Artificial Intelligence · Computer Science 2026-01-28 Lukas Weidener , Marko Brkić , Mihailo Jovanović , Ritvik Singh , Chiara Baccin , Emre Ulgac , Alex Dobrin , Aakaash Meduri

AI models underpin data-centric applications from image and text processing to scientific discovery in biology, physics, and chemistry. Yet developing them remains heavily manual, requiring practitioners to design architectures, build…

Artificial Intelligence · Computer Science 2026-05-28 Ruiyi Zhang , Peijia Qin , Qi Cao , Li Zhang , Pengtao Xie

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop…

Artificial Intelligence · Computer Science 2025-04-14 Yutaro Yamada , Robert Tjarko Lange , Cong Lu , Shengran Hu , Chris Lu , Jakob Foerster , Jeff Clune , David Ha

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Large language models have achieved great success in multiple challenging tasks, and their capacity can be further boosted by the emerging agentic AI techniques. This new computing paradigm has already started revolutionising the…

Machine Learning · Computer Science 2026-03-23 Cen Wan , Alex A. Freitas

In the rapidly evolving field of artificial intelligence, the ability to harness and integrate knowledge across various domains stands as a paramount challenge and opportunity. This study introduces a novel approach to cross-domain…

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

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

Self-evolving agentic artificial intelligence (AI) offers a new paradigm for future wireless systems by enabling autonomous agents to continually adapt and improve without human intervention. Unlike static AI models, self-evolving agents…

Artificial Intelligence · Computer Science 2025-10-08 Changyuan Zhao , Ruichen Zhang , Jiacheng Wang , Dusit Niyato , Geng Sun , Xianbin Wang , Shiwen Mao , Abbas Jamalipour

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 research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift…

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