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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

Large Language Models (LLMs) have revolutionized various aspects of engineering and science. Their utility is often bottlenecked by the lack of interaction with the external digital environment. To overcome this limitation and achieve…

Software Engineering · Computer Science 2024-12-24 Ioannis Tzachristas

Recommender-systems research has accelerated model and evaluation advances, yet largely neglects automating the research process itself. We argue for a shift from narrow AutoRecSys tools -- focused on algorithm selection and hyper-parameter…

Information Retrieval · Computer Science 2025-10-22 Joeran Beel , Bela Gipp , Tobias Vente , Moritz Baumgart , Philipp Meister

This two-part review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this second part, we reflect on a selection of exemplary studies. It is increasingly important to articulate what…

Quantitative Methods · Quantitative Biology 2020-04-01 Connor W. Coley , Natalie S. Eyke , Klavs F. Jensen

High throughput experimentation tools, machine learning (ML) methods, and open material databases are radically changing the way new materials are discovered. From the experimentally driven approach in the past, we are moving quickly…

Materials Science · Physics 2025-08-06 Albertus Denny Handoko , Riko I Made

Precision medicine, tailored to individual patients based on their genetics, environment, and lifestyle, shows promise in managing complex diseases like infections. Integrating artificial intelligence (AI) into precision medicine can…

Other Quantitative Biology · Quantitative Biology 2023-07-31 Ghizal fatima , Risala H. Allami , Maitham G. Yousif

Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate…

Artificial Intelligence · Computer Science 2025-12-18 Cristina Cornelio , Takuya Ito , Ryan Cory-Wright , Sanjeeb Dash , Lior Horesh

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…

We envision the Full-Body AI Agent as a comprehensive AI system designed to simulate, analyze, and optimize the dynamic processes of the human body across multiple biological levels. By integrating computational models, machine learning…

Tissues and Organs · Quantitative Biology 2025-08-28 Aoqi Wang , Jiajia Liu , Jianguo Wen , Yangyang Luo , Zhiwei Fan , Liren Yang , Xi Hu , Ruihan Luo , Yankai Yu , Sophia Li , Weiling Zhao , Xiaobo Zhou

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

LLM-powered multi-agent systems can now automate the full research pipeline from ideation to paper writing, but a fundamental question remains: automation for whom? Researchers operate under different resource configurations, hold different…

Artificial Intelligence · Computer Science 2026-05-18 Jinhang Xu , Qiyuan Zhu , Yujun Wu , Zirui Wang , Dongxu Zhang , Marcia Tian , Yiling Duan , Siyuan Li , Jingxuan Wei , Sirui Han , Yike Guo , Odin Zhang , Conghui He , Cheng Tan

Scientific experimentation and manufacturing rely on prolonged protocol development and complex, multi-step implementation, which require continuous human expertise for precise execution and decision-making, limiting interpretability and…

Artificial Intelligence · Computer Science 2026-02-09 Xinyi Lin , Yuyang Zhang , Yuanhang Gan , Juntao Chen , Hao Shen , Yichun He , Lijun Li , Ze Yuan , Shuang Wang , Chaohao Wang , Rui Zhang , Na Li , Jia Liu

In modern engineering practice, human engineers collaborate in specialized teams to design complex products, with each expert completing their respective tasks while communicating and exchanging results and data with one another. While this…

Artificial Intelligence · Computer Science 2025-11-04 Ran Xu , Yupeng Qi , Jingsen Feng , Xu Chu

The rapid evolution of Agentic AI and large language models (LLMs) presents transformative opportunities for higher education institutions. This chapter introduces the concept of self-driving universities, a vision in which AI-enabled…

Computers and Society · Computer Science 2026-02-24 Anis Koubaa

There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy systems, pandemics, among others. In certain domains like…

Automating scientific discovery requires more than generating papers from ideas. Real research is iterative: hypotheses are challenged from multiple perspectives, experiments fail and inform the next attempt, and lessons accumulate across…

Sparked by innovations in generative artificial intelligence (AI), the field of protein design has undergone a paradigm shift with an explosion of new models for optimizing existing enzymes or creating them from scratch. After more than one…

Biomolecules · Quantitative Biology 2026-02-04 Lasse Middendorf , Noelia Ferruz

Embodied Artificial Intelligence (AI) is an intelligent system formed by agents and their environment through active perception, embodied cognition, and action interaction. Existing embodied AI remains confined to human-crafted setting, in…

Emerging Technologies · Computer Science 2026-02-05 Tongtong Feng , Xin Wang , Wenwu Zhu

With recent advancements in AI and computational tools, intelligent paradigms have emerged to enhance fields like shared autonomy and human-machine teaming in healthcare. Advanced AI algorithms (e.g., reinforcement learning) can…

Human-Computer Interaction · Computer Science 2025-06-23 MH Farhadi , Ali Rabiee , Sima Ghafoori , Anna Cetera , Wei Xu , Reza Abiri