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The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap…

Computation and Language · Computer Science 2025-08-25 Weiwei Sun , Shengyu Feng , Shanda Li , Yiming Yang

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…

Web agents enable users to perform tasks on web browsers through natural language interaction. Evaluating web agents trajectories is an important problem, since it helps us determine whether the agent successfully completed the tasks.…

The integration of Large Language Models (LLMs) into the financial domain is driving a paradigm shift from passive information retrieval to dynamic, agentic interaction. While general-purpose tool learning has witnessed a surge in…

Artificial Intelligence · Computer Science 2026-03-10 Jiaxuan Lu , Kong Wang , Yemin Wang , Qingmei Tang , Hongwei Zeng , Xiang Chen , Jiahao Pi , Shujian Deng , Lingzhi Chen , Yi Fu , Kehua Yang , Xiao Sun

AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which…

We introduce DABstep, a novel benchmark for evaluating AI agents on realistic multi-step data analysis tasks. DABstep comprises over 450 real-world challenges derived from a financial analytics platform, requiring models to combine…

Machine Learning · Computer Science 2025-07-01 Alex Egg , Martin Iglesias Goyanes , Friso Kingma , Andreu Mora , Leandro von Werra , Thomas Wolf

Modern Large Language Model (LLM) agents promise end to end assistance with real-world software tasks, yet existing benchmarks evaluate LLM agents almost exclusively in pre-baked environments where every dependency is pre-installed. To fill…

Software Engineering · Computer Science 2025-07-15 Avi Arora , Jinu Jang , Roshanak Zilouchian Moghaddam

LLM agents have begun to find real security vulnerabilities that human auditors and automated fuzzers missed for decades, in source-available targets where the analyst can build and instrument the code. In practice the work is split among…

Cryptography and Security · Computer Science 2026-04-23 Hanzhi Liu , Chaofan Shou , Xiaonan Liu , Hongbo Wen , Yanju Chen , Ryan Jingyang Fang , Yu Feng

Practitioners are increasingly turning to Extract-Load-Transform (ELT) pipelines with the widespread adoption of cloud data warehouses. However, designing these pipelines often involves significant manual work to ensure correctness. Recent…

Databases · Computer Science 2025-04-16 Tengjun Jin , Yuxuan Zhu , Daniel Kang

Evaluating AI agents within complex, interactive environments that mirror real-world challenges is critical for understanding their practical capabilities. While existing agent benchmarks effectively assess skills like tool use or…

Artificial Intelligence · Computer Science 2025-08-15 Long Phan , Mantas Mazeika , Andy Zou , Dan Hendrycks

Large Language Models (LLMs) have been increasingly integrated into computer-use agents, which can autonomously operate tools on a user's computer to accomplish complex tasks. However, due to the inherently unstable and unpredictable nature…

Cryptography and Security · Computer Science 2025-09-10 Haitao Hu , Peng Chen , Yanpeng Zhao , Yuqi Chen

Automated evaluation of tool-using large language model (LLM) agents is widely assumed to be reliable, but this assumption has rarely been validated against human annotation. We introduce AgentProp-Bench, a 2,000-task benchmark with 2,300…

Artificial Intelligence · Computer Science 2026-04-21 Bhaskar Gurram

The rapid deployment of LLM-based autonomous agents has introduced safety risks that extend far beyond traditional LLM concerns, prompting a proliferation of safety benchmarks since late 2023. However, these benchmarks have developed…

Computers and Society · Computer Science 2026-05-19 Miles Q. Li , Benjamin C. M. Fung , Boyang Li , Heba Ismail , Farkhund Iqbal

With the advancement of multimodal large language models (MLLMs) and coding agents, the website development has shifted from manual programming to agent-based project-level code synthesis. Existing benchmarks rely on idealized assumptions,…

Artificial Intelligence · Computer Science 2026-05-01 Qiyao Wang , Haoran Hu , Longze Chen , Hongbo Wang , Hamid Alinejad-Rokny , Yuan Lin , Min Yang

Multimodal agents are making rapid progress on general computer-use tasks, yet existing benchmarks remain largely confined to browsers and basic desktop applications, falling short in professional software workflows that dominate real-world…

Software Engineering · Computer Science 2026-01-07 Jiaxin Ai , Yukang Feng , Fanrui Zhang , Jianwen Sun , Zizhen Li , Chuanhao Li , Yifan Chang , Wenxiao Wu , Ruoxi Wang , Mingliang Zhai , Kaipeng Zhang

Frontier AI systems are increasingly capable and deployed in high-stakes multi-agent environments. However, existing AI safety benchmarks largely evaluate single agents, leaving multi-agent risks such as coordination failure and conflict…

Artificial Intelligence · Computer Science 2026-05-25 Pepijn Cobben , Xuanqiang Angelo Huang , Thao Amelia Pham , Isabel Dahlgren , Terry Jingchen Zhang , Zhijing Jin

Autonomous language-model agents are increasingly evaluated on long-horizon tool-use tasks, but existing benchmarks rarely capture the complexity and nuance of real scientific work. To address this gap, we introduce Collider-Bench, a…

Machine Learning · Computer Science 2026-05-15 Darius A. Faroughy , Sofia Palacios Schweitzer , Ian Pang , Siddharth Mishra-Sharma , David Shih

Frontier AI safety policies highlight automation of AI research and development (R&D) by AI agents as an important capability to anticipate. However, there exist few evaluations for AI R&D capabilities, and none that are highly realistic…

Tool using agents often fail for operational reasons even when language understanding is strong. Common causes include invalid arguments, interface drift, weak recovery, and inefficient retry behavior. We introduce ToolMisuseBench, an…

Software Engineering · Computer Science 2026-04-03 Akshey Sigdel , Rista Baral