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Self-driving laboratories or autonomous experimentation are emerging as transformative platforms for accelerating scientific discovery. Bayesian optimization (BO) is among the most widely used machine learning frameworks for these purposes,…

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Scientific experimentation, a cornerstone of human progress, demands rigor in reliability, methodical control, and interpretability to yield meaningful results. Despite the growing capabilities of large language models (LLMs) in automating…

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

Protein scientific discovery is bottlenecked by the manual orchestration of information and algorithms, while general agents are insufficient in complex domain projects. VenusFactory2 provides an autonomous framework that shifts from static…

Artificial Intelligence · Computer Science 2026-03-31 Yang Tan , Lingrong Zhang , Mingchen Li , Yuanxi Yu , Bozitao Zhong , Bingxin Zhou , Nanqing Dong , Liang Hong

Artificial intelligence (AI) and large language models (LLM) are reshaping science, with most recent advances culminating in fully-automated scientific discovery pipelines. But qualitative research has been left behind. Researchers in…

Artificial Intelligence · Computer Science 2025-11-13 Stine Beltoft , Lukas Galke

Self-driving laboratories have begun to replace human experimenters in performing single experimental skills or predetermined experimental protocols. However, as the pace of idea iteration in scientific research has been intensified by…

Artificial Intelligence · Computer Science 2025-04-08 Yu-Zhe Shi , Mingchen Liu , Fanxu Meng , Qiao Xu , Zhangqian Bi , Kun He , Lecheng Ruan , Qining Wang

Recent advances in artificial intelligence (AI) and machine learning have created a general perception that AI could be used to solve complex problems, and in some situations over-hyped as a tool that can be so easily used. Unfortunately,…

Artificial Intelligence · Computer Science 2018-04-27 Jinyang Gao , Wei Wang , Meihui Zhang , Gang Chen , H. V. Jagadish , Guoliang Li , Teck Khim Ng , Beng Chin Ooi , Sheng Wang , Jingren Zhou

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

Computation and Language · Computer Science 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

In contemporary biomedical research, the efficiency of data-driven approaches is hindered by large data volumes, tool selection complexity, and human resource limitations, necessitating the development of fully autonomous research systems…

Quantitative Methods · Quantitative Biology 2024-08-13 Luojia Deng , Yijie Wu , Yongyong Ren , Hui Lu

AI-based design tools are proliferating in professional software to assist engineering and industrial designers in complex manufacturing and design tasks. These tools take on more agentic roles than traditional computer-aided design tools…

Human-Computer Interaction · Computer Science 2023-03-02 Frederic Gmeiner , Humphrey Yang , Lining Yao , Kenneth Holstein , Nikolas Martelaro

Scientific discovery increasingly depends on high-throughput characterization, yet automation is hindered by proprietary GUIs and the limited generalizability of existing API-based systems. We present Owl-AuraID, a software-hardware…

Screening patients for clinical trial eligibility remains a manual, time-consuming, and resource-intensive process. We present a secure, scalable proof-of-concept system for Artificial Intelligence (AI)-augmented patient-trial matching that…

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and…

Instrumentation and Methods for Astrophysics · Physics 2025-04-07 Adam Moss

To counter fragmented, high-risk adoption of commercial AI tools, we built and ran an institutional AI platform in a six-month, 300-user pilot, showing that a university of applied sciences can offer advanced AI with fair access,…

Computers and Society · Computer Science 2025-12-11 Ruud Huijts , Koen Suilen

The emergence of Artificial Intelligence (AI) Scientist represents a paradigm shift in scientific discovery, with large language models (LLMs) taking the lead as the primary executor in the entire scientific workflow from idea generation to…

Artificial Intelligence · Computer Science 2025-06-10 Minjun Zhu , Qiujie Xie , Yixuan Weng , Jian Wu , Zhen Lin , Linyi Yang , Yue Zhang

Artificial Intelligence (AI) technology epitomizes the complex challenges posed by human-made artifacts, particularly those widely integrated into society and exerting significant influence, highlighting potential benefits and their…

Artificial Intelligence · Computer Science 2025-10-06 Michael Papademas , Xenia Ziouvelou , Antonis Troumpoukis , Vangelis Karkaletsis

We have developed Aitomia - a platform powered by AI to assist in performing AI-driven atomistic and quantum chemical (QC) simulations. This evolving intelligent assistant platform is equipped with chatbots and AI agents to help experts and…

Computational Physics · Physics 2026-03-17 Jinming Hu , Hassan Nawaz , Yi-Fan Hou , Yuting Rui , Lijie Chi , Yuxinxin Chen , Arif Ullah , Pavlo O. Dral

The complexity of human biology and its intricate systems holds immense potential for advancing human health, disease treatment, and scientific discovery. However, traditional manual methods for studying biological interactions are often…

Other Quantitative Biology · Quantitative Biology 2025-01-24 Himanshu Buckchash , Gyanendra Kumar Verma , Dilip K. Prasad

Companies dealing with Artificial Intelligence (AI) models in Autonomous Systems (AS) face several problems, such as users' lack of trust in adverse or unknown conditions, gaps between software engineering and AI model development, and…

Software Engineering · Computer Science 2021-04-26 Silverio Martínez-Fernández , Xavier Franch , Andreas Jedlitschka , Marc Oriol , Adam Trendowicz
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