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Agentic systems increasingly automate pieces of AI research. Yet turning underspecified research objectives into runnable, experimentally validated ML systems remains a central bottleneck. We study this operational setting as…

Computation and Language · Computer Science 2026-05-27 Guoxin Chen , Jie Chen , Lei Chen , Jiale Zhao , Fanzhe Meng , Wayne Xin Zhao , Ruihua Song , Cheng Chen , Ji-Rong Wen , Kai Jia

Benchmarking involves designing scientific test methods, tools, and frameworks to quantitatively and comparably assess specific performance indicators of certain test subjects. With the development of artificial intelligence, AI…

Software Engineering · Computer Science 2023-11-28 Fenglin Bi , Fanyu Han , Shengyu Zhao , Jinlu Li , Yanbin Zhang , Wei Wang

We introduce a benchmark framework developed by and for the scientific community to evaluate, monitor and steer large language model development in fundamental physics. Building on philosophical concepts of scientific understanding and…

Data Analysis, Statistics and Probability · Physics 2025-07-30 Kristian G. Barman , Sascha Caron , Faegheh Hasibi , Eugene Shalugin , Yoris Marcet , Johannes Otte , Henk W. de Regt , Merijn Moody

Reliable performance metrics are necessary prerequisites to building large-scale end-to-end integrated workflows for collaborative scientific research, particularly within context of use-inspired decision making platforms with many…

Machine Learning · Computer Science 2024-08-01 H. Ahmed , R. Shende , I. Perez , D. Crawl , S. Purawat , I. Altintas

Autonomous agents and systems cover a number of application areas, from robotics and digital assistants to combinatorial optimization, all sharing common, unresolved research challenges. It is not sufficient for agents to merely solve a…

Global machine learning force fields (MLFFs), that have the capacity to capture collective many-atom interactions in molecular systems, currently only scale up to a few dozen atoms due a considerable growth of the model complexity with…

AI4EF, Artificial Intelligence for Energy Efficiency, is an advanced, user-centric tool designed to support decision-making in building energy retrofitting and efficiency optimization. Leveraging machine learning (ML) and data-driven…

Formal models are essential to specifying large, complex computer systems and verifying their correctness, but are notoriously expensive to write and maintain. Recent advances in generative AI show promise in generating certain forms of…

Artificial Intelligence · Computer Science 2026-01-29 Qian Cheng , Ruize Tang , Emilie Ma , Finn Hackett , Peiyang He , Yiming Su , Ivan Beschastnikh , Yu Huang , Xiaoxing Ma , Tianyin Xu

The quality assessment of Artificial Intelligence (AI) systems is a fundamental challenge due to their inherently probabilistic nature. Standards such as ISO/IEC 25059 provide a quality model, but they lack practical and statistically…

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision…

Computational Engineering, Finance, and Science · Computer Science 2025-09-09 Aditya Kashi , Hao Lu , Wesley Brewer , David Rogers , Michael Matheson , Mallikarjun Shankar , Feiyi Wang

Multi-Sensor Fusion (MSF) based perception systems have been the foundation in supporting many industrial applications and domains, such as self-driving cars, robotic arms, and unmanned aerial vehicles. Over the past few years, the fast…

Software Engineering · Computer Science 2023-08-30 Xinyu Gao , Zhijie Wang , Yang Feng , Lei Ma , Zhenyu Chen , Baowen Xu

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even…

Machine Learning · Computer Science 2023-06-28 Moksh Jain , Tristan Deleu , Jason Hartford , Cheng-Hao Liu , Alex Hernandez-Garcia , Yoshua Bengio

Scientific figure interpretation is a crucial capability for AI-driven scientific assistants built on advanced Large Vision Language Models. However, current datasets and benchmarks primarily focus on simple charts or other relatively…

Forecasts of future events are essential inputs into informed decision-making. Machine learning (ML) systems have the potential to deliver forecasts at scale, but there is no framework for evaluating the accuracy of ML systems on a…

Machine Learning · Computer Science 2025-03-03 Ezra Karger , Houtan Bastani , Chen Yueh-Han , Zachary Jacobs , Danny Halawi , Fred Zhang , Philip E. Tetlock

Recently there has been an ever-increasing trend in the use of machine learning (ML) and artificial intelligence (AI) methods by the materials science, condensed matter physics, and chemistry communities. This perspective article identifies…

Materials Science · Physics 2020-03-20 Brian DeCost , Jason Hattrick-Simpers , Zachary Trautt , Aaron Kusne , Eva Campo , Martin Green

The rapid growth of AI for Science (AI4S) has underscored the significance of scientific datasets, leading to the establishment of numerous national scientific data centers and sharing platforms. Despite this progress, efficiently promoting…

Information Retrieval · Computer Science 2026-01-06 Qingqing Long , Haotian Chen , Chenyang Zhao , Xiaolei Du , Xuezhi Wang , Pengyao Wang , Chengzan Li , Yuanchun Zhou , Hengshu Zhu

This paper presents the first industry-standard open-source machine learning (ML) benchmark to allow perfor mance and accuracy evaluation of mobile devices with different AI chips and software stacks. The benchmark draws from the expertise…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

The Science of Science (SoS) explores the mechanisms underlying scientific discovery, and offers valuable insights for enhancing scientific efficiency and fostering innovation. Traditional approaches often rely on simplistic assumptions and…

Artificial Intelligence · Computer Science 2025-05-20 Renqi Chen , Haoyang Su , Shixiang Tang , Zhenfei Yin , Qi Wu , Hui Li , Ye Sun , Nanqing Dong , Wanli Ouyang , Philip Torr

Machine learning force fields (MLFFs) are gaining attention as an alternative to classical force fields (FFs) by using deep learning models trained on density functional theory (DFT) data to improve interatomic potential accuracy. In this…

Chemical Physics · Physics 2025-03-25 Anseong Park , Jaeyune Ryu , Won Bo Lee