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Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive…

Machine Learning · Computer Science 2024-09-25 Wangyang Ying , Dongjie Wang , Xuanming Hu , Ji Qiu , Jin Park , Yanjie Fu

Automated scientific discovery promises to accelerate progress across scientific domains. However, developing and evaluating an AI agent's capacity for end-to-end scientific reasoning is challenging as running real-world experiments is…

Automated Machine Learning (AutoML) is used more than ever before to support users in determining efficient hyperparameters, neural architectures, or even full machine learning pipelines. However, users tend to mistrust the optimization…

Machine Learning · Computer Science 2022-07-12 René Sass , Eddie Bergman , André Biedenkapp , Frank Hutter , Marius Lindauer

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

Artificial Intelligence (AI) is redefining the frontiers of scientific domains, ranging from drug discovery to meteorological modeling, yet its integration within industrial manufacturing remains nascent and fraught with operational…

Computational Engineering, Finance, and Science · Computer Science 2025-11-18 Yingjie Shi , Yiru Gong , Yiqun Su , Suya Xiong , Jiale Han , Runtian Miao

Recent advances in large language models (LLMs) have enabled AI agents to autonomously generate scientific proposals, conduct experiments, author papers, and perform peer reviews. Yet this flood of AI-generated research content collides…

Agentic AI is rapidly advancing in healthcare and biomedical research. However, in medical image analysis, their performance and adoption remain limited due to the lack of a robust ecosystem, insufficient toolsets, and the absence of…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Songhao Li , Jonathan Xu , Tiancheng Bao , Yuxuan Liu , Yuchen Liu , Yihang Liu , Lilin Wang , Wenhui Lei , Sheng Wang , Yinuo Xu , Yan Cui , Jialu Yao , Shunsuke Koga , Zhi Huang

Discrete latent bottlenecks in variational autoencoders (VAEs) offer high bit efficiency and can be modeled with autoregressive discrete distributions, enabling parameter-efficient multimodal search with transformers. However, discrete…

Machine Learning · Computer Science 2026-02-12 Michael Drolet , Firas Al-Hafez , Aditya Bhatt , Jan Peters , Oleg Arenz

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

The presence of decision-making algorithms in society is rapidly increasing nowadays, while concerns about their transparency and the possibility of these algorithms becoming new sources of discrimination are arising. There is a certain…

Data-driven science is an emerging paradigm where scientific discoveries depend on the execution of computational AI models against rich, discipline-specific datasets. With modern machine learning frameworks, anyone can develop and execute…

Machine Learning · Computer Science 2022-08-09 Seth Ockerman , John Wu , Christopher Stewart

LLM-agents are increasingly used to accelerate the progress of scientific research. Yet a persistent bottleneck is data access: agents not only lack readily available tools for retrieval, but also have to work with unstrcutured,…

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely…

Machine Learning · Computer Science 2020-07-01 Esteban Real , Chen Liang , David R. So , Quoc V. Le

As the availability of imagery data continues to swell, so do the demands on transmission, storage and processing power. Processing requirements to handle this plethora of data is quickly outpacing the utility of conventional processing…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Artyom M. Grigoryan , Sos S. Agaian , Karen Panetta

Agentic evolution has emerged as a powerful paradigm for improving programs, workflows, and scientific solutions by iteratively generating candidates, evaluating them, and using feedback to guide future search. However, existing methods are…

Artificial Intelligence · Computer Science 2026-05-14 Jiayi Zhang , Yongfeng Gu , Jianhao Ruan , Maojia Song , Yiran Peng , Zhiguang Han , Jinyu Xiang , Zhitao Wang , Caiyin Yang , Yixi Ouyang , Bang Liu , Chenglin Wu , Yuyu Luo

Benchmark data sets are a cornerstone of machine learning development and applications, ensuring new methods are robust, reliable and competitive. The relative rarity of benchmark sets in computational science, due to the uniqueness of the…

Machine Learning · Computer Science 2025-07-01 Amanda S Barnard

Research increasingly relies on computational methods to analyze experimental data and predict molecular properties. Current approaches often require researchers to use a variety of tools for statistical analysis and machine learning,…

Quantitative Methods · Quantitative Biology 2025-12-01 Luke Rimmo Lego , Samantha Gauthier , Denver Jn. Baptiste

Biology is at the precipice of a new era where AI accelerates and amplifies the ability to study how cells operate, organize, and work as systems, revealing why disease happens and how to correct it. Organizations globally are prioritizing…

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited…

Machine Learning · Computer Science 2026-05-26 Sanchit Kabra , Nikhil Abhyankar , Saaketh Desai , Prasad Iyer , Chandan K Reddy