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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 are now integrated into many scientific workflows, accelerating data analysis, hypothesis generation, and design space exploration. In parallel with this growth, there is a growing need to carefully evaluate whether…

As large language models (LLMs) are increasingly applied to scientific reasoning, the complexity of answer formats and the diversity of equivalent expressions make answer verification a critical yet challenging task. Existing verification…

Artificial Intelligence · Computer Science 2025-09-30 Shenghe Zheng , Chenyu Huang , Fangchen Yu , Junchi Yao , Jingqi Ye , Tao Chen , Yun Luo , Ning Ding , LEI BAI , Ganqu Cui , Peng Ye

Large language models (LLMs) have a transformative impact on a variety of scientific tasks across disciplines including biology, chemistry, medicine, and physics. However, ensuring the safety alignment of these models in scientific research…

We introduce AInsteinBench, a large-scale benchmark for evaluating whether large language model (LLM) agents can operate as scientific computing development agents within real research software ecosystems. Unlike existing scientific…

Large language models (LLMs) have shown potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we…

Computation and Language · Computer Science 2026-04-21 Yujie Liu , Zonglin Yang , Tong Xie , Jinjie Ni , Ben Gao , Yuqiang Li , Shixiang Tang , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

The rapid advancement of large language models (LLMs) and multimodal foundation models has sparked growing interest in their potential for scientific research. However, scientific intelligence encompasses a broad spectrum of abilities…

Artificial Intelligence · Computer Science 2025-12-30 Yaping Zhang , Qixuan Zhang , Xingquan Zhang , Zhiyuan Chen , Wenwen Zhuang , Yupu Liang , Lu Xiang , Yang Zhao , Jiajun Zhang , Yu Zhou , Chengqing Zong

Evaluating progress in large language models (LLMs) is often constrained by the challenge of verifying responses, limiting assessments to tasks like mathematics, programming, and short-form question-answering. However, many real-world…

Computation and Language · Computer Science 2026-05-19 Zhilin Wang , Jaehun Jung , Ximing Lu , Shizhe Diao , Ellie Evans , Jiaqi Zeng , Pavlo Molchanov , Yejin Choi , Jan Kautz , Yi Dong

Despite impressive advances in large language models (LLMs), existing benchmarks often focus on single-turn or single-step tasks, failing to capture the kind of iterative reasoning required in real-world settings. To address this…

Computation and Language · Computer Science 2025-11-26 Yiran Zhang , Mo Wang , Xiaoyang Li , Kaixuan Ren , Chencheng Zhu , Usman Naseem

We introduce seqBench, a parametrized benchmark for probing sequential reasoning limits in Large Language Models (LLMs) through precise, multi-dimensional control over several key complexity dimensions. seqBench allows systematic variation…

Artificial Intelligence · Computer Science 2025-09-23 Mohammad Ramezanali , Mo Vazifeh , Paolo Santi

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains…

Computation and Language · Computer Science 2026-04-28 Nithin Somasekharan , Ling Yue , Yadi Cao , Weichao Li , Patrick Emami , Pochinapeddi Sai Bhargav , Anurag Acharya , Xingyu Xie , Shaowu Pan

We present MultiChallenge, a pioneering benchmark evaluating large language models (LLMs) on conducting multi-turn conversations with human users, a crucial yet underexamined capability for their applications. MultiChallenge identifies four…

Computation and Language · Computer Science 2025-03-07 Ved Sirdeshmukh , Kaustubh Deshpande , Johannes Mols , Lifeng Jin , Ed-Yeremai Cardona , Dean Lee , Jeremy Kritz , Willow Primack , Summer Yue , Chen Xing

Scientific reasoning is a key aspect of human intelligence, requiring the integration of multimodal inputs, domain expertise, and multi-step inference across various subjects. Existing benchmarks for multimodal large language models (MLLMs)…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Longteng Guo , Xuanxu Lin , Dongze Hao , Tongtian Yue , Pengkang Huo , Jiatong Ma , Yuchen Liu , Jing Liu

Large language models (LLMs) have demonstrated their remarkable performance across various language understanding tasks. While emerging benchmarks have been proposed to evaluate LLMs in various domains such as mathematics and computer…

Artificial Intelligence · Computer Science 2024-10-28 Junnan Dong , Zijin Hong , Yuanchen Bei , Feiran Huang , Xinrun Wang , Xiao Huang

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

Large Language Models (LLMs) have made significant strides in front-end code generation. However, existing benchmarks exhibit several critical limitations: many tasks are overly simplistic, test cases often lack rigor, and end-to-end…

Software Engineering · Computer Science 2025-06-19 Hongda Zhu , Yiwen Zhang , Bing Zhao , Jingzhe Ding , Siyao Liu , Tong Liu , Dandan Wang , Yanan Liu , Zhaojian Li

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

In response to the urgent demand for grid stability and the complex challenges posed by renewable energy integration and electricity market dynamics, the power sector increasingly seeks innovative technological solutions. In this context,…

Artificial Intelligence · Computer Science 2024-08-13 Xiyuan Zhou , Huan Zhao , Yuheng Cheng , Yuji Cao , Gaoqi Liang , Guolong Liu , Wenxuan Liu , Yan Xu , Junhua Zhao

The rapid advancement of Large Language Models (LLMs) has outpaced the scalability of traditional evaluation benchmarks, which remain heavily dependent on labor-intensive expert curation. We address this bottleneck with Conv-to-Bench, a…