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Large Language Models (LLMs) have shown impressive performance in domains such as mathematics and programming, yet their capabilities in physics remain underexplored and poorly understood. Physics poses unique challenges that demand not…

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

AI agents powered by large language models exhibit strong reasoning and problem-solving capabilities, enabling them to assist scientific research tasks such as formula derivation and code generation. However, whether these agents can…

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

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu

While existing benchmarks probe the reasoning abilities of large language models (LLMs) across diverse domains, they predominantly assess passive reasoning, providing models with all the information needed to reach a solution. By contrast,…

Machine Learning · Computer Science 2025-06-11 Zhanke Zhou , Xiao Feng , Zhaocheng Zhu , Jiangchao Yao , Sanmi Koyejo , Bo Han

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

Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning…

Machine Learning · Computer Science 2025-10-23 Hui Chen , Miao Xiong , Yujie Lu , Wei Han , Ailin Deng , Yufei He , Jiaying Wu , Yibo Li , Yue Liu , Bryan Hooi

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics,…

Machine Learning · Computer Science 2025-12-25 Saeed Mohammadzadeh , Erfan Hamdi , Joel Shor , Emma Lejeune

LLM-based reasoning models have enabled the development of agentic systems that act as co-scientists, assisting in multi-step scientific analysis. However, evaluating these systems is challenging, as it requires realistic, end-to-end…

Machine Learning · Computer Science 2026-02-24 Siba Smarak Panigrahi , Jovana Videnović , Maria Brbić

Current evaluation paradigms for large language models (LLMs) represent a critical blind spot in AI research--relying on opaque numerical metrics that conceal fundamental limitations in spatial reasoning while providing no intuitive…

Computation and Language · Computer Science 2025-11-05 Liuhao Lin , Ke Li , Zihan Xu , Yuchen Shi , Yulei Qin , Yan Zhang , Xing Sun , Rongrong Ji

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships…

Computation and Language · Computer Science 2025-06-11 Shashidhar Reddy Javaji , Yupeng Cao , Haohang Li , Yangyang Yu , Nikhil Muralidhar , Zining Zhu

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific…

Artificial Intelligence · Computer Science 2025-05-27 Jiabin Tang , Lianghao Xia , Zhonghang Li , Chao Huang

While large language models (LLMs) excel at many domain-specific tasks, their ability to deeply comprehend and reason about full-length academic papers remains underexplored. Existing benchmarks often fall short of capturing such depth,…

Artificial Intelligence · Computer Science 2026-01-08 Xinbang Dai , Huikang Hu , Yongrui Chen , Jiaqi Li , Rihui Jin , Yuyang Zhang , Xiaoguang Li , Lifeng Shang , Guilin Qi

Large Language Models (LLMs) are rapidly advancing across diverse domains, yet their application in theoretical physics remains inadequate. While current models show competence in mathematical reasoning and code generation, we identify…

Computation and Language · Computer Science 2026-03-13 Sirui Lu , Zhijing Jin , Terry Jingchen Zhang , Pavel Kos , J. Ignacio Cirac , Bernhard Schölkopf

We introduce Meta MLGym and MLGym-Bench, a new framework and benchmark for evaluating and developing LLM agents on AI research tasks. This is the first Gym environment for machine learning (ML) tasks, enabling research on reinforcement…

Breakthroughs in frontier theory often depend on the combination of concrete diagrammatic notations with rigorous logic. While multimodal large language models (MLLMs) show promise in general scientific tasks, current benchmarks often focus…

Artificial Intelligence · Computer Science 2026-04-07 Zeyu Wang , Xiaogang Li , Peiyao Xiao , Qinhao Kong , Ben Wang , Chengliang Xu , Zichao Chen , Bing Zhao , Hu Wei

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from…

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