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Generative AI agents, software systems powered by Large Language Models (LLMs), are emerging as a promising approach to automate cybersecurity tasks. Among the others, penetration testing is a challenging field due to the task complexity…

Cryptography and Security · Computer Science 2024-10-29 Luca Gioacchini , Marco Mellia , Idilio Drago , Alexander Delsanto , Giuseppe Siracusano , Roberto Bifulco

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory…

Artificial Intelligence · Computer Science 2026-05-28 Shanghua Gao , Ada Fang , Marinka Zitnik

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…

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

Progress in scientific discovery is rarely the result of a single "Eureka" moment, but is rather the product of hundreds of scientists incrementally working together toward a common goal. While existing agent workflows are capable of…

Artificial Intelligence · Computer Science 2025-03-25 Samuel Schmidgall , Michael Moor

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Autonomous research systems capable of generating complete scientific manuscripts have advanced rapidly, yet robust and realistic evaluation frameworks have failed to keep pace. To bridge this gap, we introduce MLReplicate, an end-to-end…

Machine Learning · Computer Science 2026-05-19 Sasi Kiran Gaddipati , Diyana Muhammed , Farhana Keya , Gollam Rabby , Sören Auer

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…

As robotics matures and increases in complexity, it is more necessary than ever that robot autonomy research be reproducible. Compared to other sciences, there are specific challenges to benchmarking autonomy, such as the complexity of the…

This study evaluates large language models (LLMs) in generating code from algorithm descriptions in recent NLP papers. The task requires two key competencies: (1) algorithm comprehension: synthesizing information from papers and academic…

Computation and Language · Computer Science 2025-08-08 Yanzheng Xiang , Hanqi Yan , Shuyin Ouyang , Lin Gui , Yulan He

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open…

Artificial Intelligence · Computer Science 2026-05-26 Maximilian Nägele , Florian Marquardt

Reproducing scientific analyses is essential for preserving knowledge, building extensible codebases, and deepening researcher understanding - yet the effort often outweighs its academic recognition. We argue that the reproduction of…

High Energy Physics - Phenomenology · Physics 2026-04-22 Joschka Birk , Gregor Kasieczka , Siddharth Mishra-Sharma , Benjamin Nachman , Dennis Noll , Tanvi Wamorkar

Agent evaluation requires assessing complex multi-step behaviors involving tool use and intermediate reasoning, making it costly and expertise-intensive. A natural question arises: can frontier coding assistants reliably automate this…

Existing AI benchmarks for software automation rarely combine cross-application coordination, autonomous API discovery, and policy adherence. Real business workflows demand all three: a single task may span a CRM, inbox, calendar, and…

Artificial Intelligence · Computer Science 2026-04-22 Daniel Shepard , Robin Salimans

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based…

Materials Science · Physics 2026-05-15 Matteo Cobelli , Stefano Sanvito

Large language model agents often fail to accumulate knowledge from experience, treating each task as an independent challenge. Recent methods extract experience as flattened textual knowledge, which cannot capture procedural logic of…

Artificial Intelligence · Computer Science 2026-02-02 Libin Qiu , Zhirong Gao , Junfu Chen , Yuhang Ye , Weizhi Huang , Xiaobo Xue , Wenkai Qiu , Shuo Tang

Automating science laboratories enables faster, safer, more accurate, and more reproducible execution of protocols, accelerating the discovery and testing of new materials, drugs, and more. However, setting up and running autonomous labs…

Artificial Intelligence · Computer Science 2026-05-19 Angelos Angelopoulos , James F. Cahoon , Ron Alterovitz

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

AI agents hold growing promise for accelerating scientific discovery; yet, a lack of frontier evaluations hinders adoption into real workflows. Expert-written benchmarks have proven effective at measuring AI reasoning, but most at this…