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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…

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

Computation and Language · Computer Science 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

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

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

Large Language Models (LLMs) based autonomous agents demonstrate multifaceted capabilities to contribute substantially to economic production. However, existing benchmarks remain focused on single agentic capability, failing to capture…

Artificial Intelligence · Computer Science 2026-04-24 Keyu Li , Junhao Shi , Yang Xiao , Mohan Jiang , Jie Sun , Yunze Wu , Dayuan Fu , Shijie Xia , Xiaojie Cai , Tianze Xu , Weiye Si , Wenjie Li , Dequan Wang , Pengfei Liu

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…

Large Language Models (LLMs) and Large Vision-Language Models (LVLMs) have demonstrated impressive language/vision reasoning abilities, igniting the recent trend of building agents for targeted applications such as shopping assistants or AI…

Artificial Intelligence · Computer Science 2025-04-14 Liqiang Jing , Zhehui Huang , Xiaoyang Wang , Wenlin Yao , Wenhao Yu , Kaixin Ma , Hongming Zhang , Xinya Du , Dong Yu

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…

This study systematically evaluates 27 frontier Large Language Models on eight biology benchmarks spanning molecular biology, genetics, cloning, virology, and biosecurity. Models from major AI developers released between November 2022 and…

Machine Learning · Computer Science 2025-05-23 Lennart Justen

Recent advances in large language models (LLMs) have enabled agentic systems that translate natural language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and…

This paper introduces BioAgent Bench, a benchmark dataset and an evaluation suite designed for measuring the performance and robustness of AI agents in common bioinformatics tasks. The benchmark contains curated end-to-end tasks (e.g.,…

Artificial Intelligence · Computer Science 2026-05-08 Dionizije Fa , Marko Culjak , Bruno Pandza , Mateo Cupic

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun

As benchmarks grow in complexity, many apparent agent failures are not failures of the agent at all - they are failures of the benchmark itself: broken specifications, implicit assumptions, and rigid evaluation scripts that penalize valid…

Computation and Language · Computer Science 2026-04-29 Xinming Tu , Tianze Wang , Yingzhou , Lu , Kexin Huang , Yuanhao Qu , Sara Mostafavi

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

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) show promise as data analysis agents, but existing benchmarks overlook the iterative nature of the field, where experts' decisions evolve with deeper insights of the dataset. To address this, we introduce…

Computation and Language · Computer Science 2025-06-09 Hanyu Li , Haoyu Liu , Tingyu Zhu , Tianyu Guo , Zeyu Zheng , Xiaotie Deng , Michael I. Jordan

The increasing autonomy of Large Language Models (LLMs) necessitates a rigorous evaluation of their potential to aid in cyber offense. Existing benchmarks often lack real-world complexity and are thus unable to accurately assess LLMs'…

Cryptography and Security · Computer Science 2025-10-14 Zicheng Liu , Lige Huang , Jie Zhang , Dongrui Liu , Yuan Tian , Jing Shao

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
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