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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

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…

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

Evaluating large language models (LLMs) on question answering often relies on static benchmarks that reward memorization and understate the role of retrieval, failing to capture the dynamic nature of world knowledge. We present…

Computation and Language · Computer Science 2025-11-07 Heng Zhou , Ao Yu , Yuchen Fan , Jianing Shi , Li Kang , Hejia Geng , Yongting Zhang , Yutao Fan , Yuhao Wu , Tiancheng He , Yiran Qin , Lei Bai , Zhenfei Yin

Knowledge-intensive question answering is central to large language models (LLMs) and is typically assessed using static benchmarks derived from sources like Wikipedia and textbooks. However, these benchmarks fail to capture evolving…

Computation and Language · Computer Science 2025-11-13 Yanhong Li , Tianyang Xu , Kenan Tang , Karen Livescu , David McAllester , Jiawei Zhou

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-scale Language Models (LLMs) have revolutionized human-AI interaction and achieved significant success in the generation of novel ideas. However, current assessments of idea generation overlook crucial factors such as knowledge…

Artificial Intelligence · Computer Science 2025-05-27 Yansheng Qiu , Haoquan Zhang , Zhaopan Xu , Ming Li , Diping Song , Zheng Wang , Kaipeng Zhang

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

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of…

Computation and Language · Computer Science 2024-11-06 Sikun Guo , Amir Hassan Shariatmadari , Guangzhi Xiong , Albert Huang , Eric Xie , Stefan Bekiranov , Aidong Zhang

Large Language Models (LLMs) often struggle with dynamically changing knowledge and handling unknown static information. Retrieval-Augmented Generation (RAG) is employed to tackle these challenges and has a significant impact on improving…

Computation and Language · Computer Science 2025-09-18 Zhen Zhang , Xinyu Wang , Yong Jiang , Zile Qiao , Zhuo Chen , Guangyu Li , Feiteng Mu , Mengting Hu , Pengjun Xie , Fei Huang

We present a new approach for benchmarking Large Language Model (LLM) capabilities on research-level mathematics. Existing benchmarks largely rely on static, hand-curated sets of contest or textbook-style problems as proxies for…

Artificial Intelligence · Computer Science 2026-03-02 Antoine Peyronnet , Fabian Gloeckle , Amaury Hayat

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

This project investigates the efficacy of Large Language Models (LLMs) in understanding and extracting scientific knowledge across specific domains and to create a deep learning framework: Knowledge AI. As a part of this framework, we…

Computation and Language · Computer Science 2024-08-12 Balaji Muralidharan , Hayden Beadles , Reza Marzban , Kalyan Sashank Mupparaju

Benchmarks play a crucial role in tracking the rapid advancement of large language models (LLMs) and identifying their capability boundaries. However, existing benchmarks predominantly curate questions at the question level, suffering from…

The rapid rise in popularity of Large Language Models (LLMs) with emerging capabilities has spurred public curiosity to evaluate and compare different LLMs, leading many researchers to propose their own LLM benchmarks. Noticing preliminary…

Artificial Intelligence · Computer Science 2025-05-15 Timothy R. McIntosh , Teo Susnjak , Nalin Arachchilage , Tong Liu , Paul Watters , Malka N. Halgamuge

The rapid advancement of large language models (LLMs) in biological-medical applications has highlighted a gap between their potential and the limited scale and often low quality of available open-source annotated textual datasets. In…

Computation and Language · Computer Science 2025-12-19 Xunxin Cai , Chengrui Wang , Qingqing Long , Yuanchun Zhou , Meng Xiao

Large Language Models (LLMs) have emerged as highly capable systems and are increasingly being integrated into various uses. However, the rapid pace of their deployment has outpaced a comprehensive understanding of their internal mechanisms…

Computation and Language · Computer Science 2025-10-27 Gabriele Prato , Jerry Huang , Prasanna Parthasarathi , Shagun Sodhani , Sarath Chandar

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You
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