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When encountering novel objects, humans are able to infer a wide range of physical properties such as mass, friction and deformability by interacting with them in a goal driven way. This process of active interaction is in the same spirit…

Machine Learning · Statistics 2017-08-21 Misha Denil , Pulkit Agrawal , Tejas D Kulkarni , Tom Erez , Peter Battaglia , Nando de Freitas

Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of established science. We introduce DiscoverPhysics, an interactive benchmark that asks a LLM agent…

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the…

Machine Learning · Computer Science 2025-10-28 Yimeng Chen , Piotr Piȩkos , Mateusz Ostaszewski , Firas Laakom , Jürgen Schmidhuber

Modern science emerged from reasoning over repeatedly-observed planetary motions. We present Gravity-Bench-v1, an environment-based benchmark that challenges AI agents on tasks that parallel this historical development. Gravity-Bench-v1…

Artificial Intelligence · Computer Science 2025-05-30 Nolan Koblischke , Hyunseok Jang , Kristen Menou , Mohamad Ali-Dib

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open…

Artificial Intelligence · Computer Science 2026-05-26 Maximilian Nägele , Florian Marquardt

Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational sub-tasks. While valuable, these evaluations neglect the inherently iterative and adaptive nature of scientific…

Machine Learning · Computer Science 2026-01-30 Shreshth A Malik , Tiarnan Doherty , Panagiotis Tigas , Muhammed Razzak , Stephen J. Roberts , Aron Walsh , Yarin Gal

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

Machine Learning · Computer Science 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

Physics-based and first-principles models pervade the engineering and physical sciences, allowing for the ability to model the dynamics of complex systems with a prescribed accuracy. The approximations used in deriving governing equations…

Machine Learning · Statistics 2023-11-03 Megan R. Ebers , Katherine M. Steele , J. Nathan Kutz

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

Artificial intelligence has demonstrated remarkable capability in predicting scientific properties, yet scientific discovery remains an inherently physical, long-horizon pursuit governed by experimental cycles. Most current computational…

Artificial Intelligence · Computer Science 2026-03-23 Xiang Zhuang , Chenyi Zhou , Kehua Feng , Zhihui Zhu , Yunfan Gao , Yijie Zhong , Yichi Zhang , Junjie Huang , Keyan Ding , Lei Bai , Haofen Wang , Qiang Zhang , Huajun Chen

We analyze the challenges of benchmarking scientific (multi)-agentic systems, including the difficulty of distinguishing reasoning from retrieval, the risks of data/model contamination, the lack of reliable ground truth for novel research…

Computers and Society · Computer Science 2026-04-07 Marcin Abram

Today's scientific challenges, from climate modeling to Inertial Confinement Fusion design to novel material design, require exploring huge design spaces. In order to enable high-impact scientific discovery, we need to scale up our ability…

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to…

Machine Learning · Computer Science 2025-10-16 Kanishk Gandhi , Michael Y. Li , Lyle Goodyear , Agam Bhatia , Louise Li , Aditi Bhaskar , Mohammed Zaman , Noah D. Goodman

Scientific discovery still relies heavily on the manual efforts of individual researchers, leading to limited exploration, redundant trials, and reduced reproducibility. Human-participant data analysis competitions generate diverse…

Multiagent Systems · Computer Science 2026-03-05 Satoshi Oyama , Yuko Sakurai , Hisashi Kashima

This article introduces the Multidimensional Research Assessment Matrix of scientific output. Its base notion holds that the choice of metrics to be applied in a research assessment process depends upon the unit of assessment, the research…

Digital Libraries · Computer Science 2014-06-24 Henk F. Moed , Gali Halevi

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Most common mechanistic models are traditionally presented in mathematical forms to explain a given physical phenomenon. Machine learning algorithms, on the other hand, provide a mechanism to map the input data to output without explicitly…

Machine Learning · Computer Science 2020-12-22 Waad Subber , Piyush Pandita , Sayan Ghosh , Genghis Khan , Liping Wang , Roger Ghanem

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

The remarkable growth in large language model (LLM) capabilities has spurred exploration into multi-agent systems, with debate frameworks emerging as a promising avenue for enhanced problem-solving. These multi-agent debate (MAD)…

Artificial Intelligence · Computer Science 2025-06-23 Yongjin Yang , Euiin Yi , Jongwoo Ko , Kimin Lee , Zhijing Jin , Se-Young Yun

Multi-agent reinforcement learning systems aim to provide interacting agents with the ability to collaboratively learn and adapt to the behaviour of other agents. In many real-world applications, the agents can only acquire a partial view…

Machine Learning · Computer Science 2018-12-04 Ozsel Kilinc , Giovanni Montana
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