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Related papers: Accelerating Scientific Discovery with Autonomous …

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Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Machine Learning · Computer Science 2024-05-17 Pingchuan Ma , Tsun-Hsuan Wang , Minghao Guo , Zhiqing Sun , Joshua B. Tenenbaum , Daniela Rus , Chuang Gan , Wojciech Matusik

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

The exponential growth of scientific knowledge has created significant barriers to cross-disciplinary knowledge discovery, synthesis and research collaboration. In response to this challenge, we present BioSage, a novel compound AI…

Automating the end-to-end scientific research process poses a fundamental challenge: it requires both evolving high-level plans that are novel and sound, and executing these plans correctly amidst dynamic and uncertain conditions. To…

Artificial Intelligence · Computer Science 2025-10-09 Zhi Zhang , Yan Liu , Zhejing Hu , Gong Chen , Sheng-hua Zhong , Jiannong Cao

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

Retrieval-Augmented Generation (RAG) is widely employed to mitigate risks such as hallucinations and knowledge obsolescence in medical question answering, yet its predominantly single-round, static retrieval paradigm misaligns with the…

Computation and Language · Computer Science 2026-05-19 Yongfeng Huang , Ruiying Chen , James Cheng

Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over tools, architectures, and training strategies. Current LLM-based agents can find SOTA solutions through extensive trial and error, but they…

Machine Learning · Computer Science 2026-05-18 Yikun Zhang , Xiwei Cheng , Tianyu Liu , Yuanqi Du , Wengong Jin

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

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

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Engineered image-based biomarkers offer a clinically interpretable alternative to black-box AI in computational pathology, yet their discovery remains largely intuition-driven, guided by fragmented literature rather than rigorous biological…

Autonomous agents can adapt their behaviour to changing environments, but remain bound to requirements, goals, and capabilities fixed at design time, preventing genuine software evolution. This paper introduces self-evolving software…

Software Engineering · Computer Science 2026-05-01 Marco Robol , Paolo Giorgini

Open-ended self-improving agents can autonomously modify their own structural designs to advance their capabilities and overcome the limits of pre-defined architectures, thus reducing reliance on human intervention. We introduce…

Artificial Intelligence · Computer Science 2026-02-05 Zhaotian Weng , Antonis Antoniades , Deepak Nathani , Zhen Zhang , Xiao Pu , Xin Eric Wang

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

Solving mathematical reasoning problems requires not only accurate access to relevant knowledge but also careful, multi-step thinking. However, current retrieval-augmented models often rely on a single perspective, follow inflexible search…

Artificial Intelligence · Computer Science 2025-11-03 Ali Asgarov , Umid Suleymanov , Aadyant Khatri

Scientific discovery increasingly entails long-horizon exploration of complex hypothesis spaces, yet most existing approaches emphasize final performance while offering limited insight into how scientific exploration unfolds over time,…

The paper surveys automated scientific discovery, from equation discovery and symbolic regression to autonomous discovery systems and agents. It discusses the individual approaches from a "big picture" perspective and in context, but also…

Artificial Intelligence · Computer Science 2026-05-01 Stefan Kramer , Mattia Cerrato , Jannis Brugger , Sašo Džeroski , Ross King

Computer use agents represent an emerging area in artificial intelligence, aiming to operate computers autonomously to fulfill user tasks, attracting significant attention from both industry and academia. However, the performance of…

Artificial Intelligence · Computer Science 2026-01-23 Yuhao Cheng , Liang Tang , Shuxian Li , Yukang Huo , Tiaonan Duan , Kaer Huang , Yanzhe Jing , Yiqiang Yan

The rapid growth of biomedical data, tools, and literature has created a fragmented research landscape that outpaces human expertise. While AI agents offer a solution, they typically rely on static, manually curated toolsets, limiting their…

Artificial Intelligence · Computer Science 2025-07-04 Ruofan Jin , Zaixi Zhang , Mengdi Wang , Le Cong

The research field of Artificial Life studies how life-like phenomena such as autopoiesis, agency, or self-regulation can self-organize in computer simulations. In cellular automata (CA), a key open-question has been whether it it is…

Multiagent Systems · Computer Science 2024-02-19 Gautier Hamon , Mayalen Etcheverry , Bert Wang-Chak Chan , Clément Moulin-Frier , Pierre-Yves Oudeyer
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