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Artificial Intelligence (AI) is revolutionizing scientific research, yet its growing integration into laboratory environments presents critical safety challenges. Large language models (LLMs) and vision language models (VLMs) now assist in…

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

Autonomous AI research agents aim to accelerate scientific discovery by automating the research pipeline, from hypothesis generation to peer review. However, existing benchmarks rarely test a fundamental bottleneck: whether Large Language…

Machine Learning · Computer Science 2026-05-29 Sy-Tuyen Ho , Minghui Liu , Huy Nghiem , Furong Huang

The rapid growth of AI agent ecosystems is transforming how complex tasks are delegated and executed, creating a new challenge of identifying suitable agents for a given task. Unlike traditional tools, agent capabilities are often…

Artificial Intelligence · Computer Science 2026-04-27 Bin Wu , Arastun Mammadli , Xiaoyu Zhang , Emine Yilmaz

We introduce Meta MLGym and MLGym-Bench, a new framework and benchmark for evaluating and developing LLM agents on AI research tasks. This is the first Gym environment for machine learning (ML) tasks, enabling research on reinforcement…

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships…

Computation and Language · Computer Science 2025-06-11 Shashidhar Reddy Javaji , Yupeng Cao , Haohang Li , Yangyang Yu , Nikhil Muralidhar , Zining Zhu

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

As Large Language Model (LLM) alignment evolves from simple completions to complex, highly sophisticated generation, Reward Models are increasingly shifting toward rubric-guided evaluation to mitigate surface-level biases. However, the…

Artificial Intelligence · Computer Science 2026-03-04 Qiyuan Zhang , Junyi Zhou , Yufei Wang , Fuyuan Lyu , Yidong Ming , Can Xu , Qingfeng Sun , Kai Zheng , Peng Kang , Xue Liu , Chen Ma

Large Language Models (LLMs) and LLM-based agents show great promise in accelerating scientific research. Existing benchmarks for measuring this potential and guiding future development continue to evolve from pure recall and rote knowledge…

Large language models are increasingly deployed in multi-agent systems to overcome context limitations by distributing information across agents. Yet whether agents can reliably compute with distributed information, rather than merely…

Multiagent Systems · Computer Science 2026-04-15 Yuzhe Zhang , Feiran Liu , Yi Shan , Xinyi Huang , Xin Yang , Yueqi Zhu , Xuxin Cheng , Cao Liu , Ke Zeng , Terry Jingchen Zhang , Wenyuan Jiang

This paper introduces CryptoBench, the first expert-curated, dynamic benchmark designed to rigorously evaluate the real-world capabilities of Large Language Model (LLM) agents in the uniquely demanding and fast-paced cryptocurrency domain.…

Understanding and reasoning on the large-scale scientific literature is a crucial touchstone for large language model (LLM) based agents. However, existing works are mainly restricted to tool-free tasks within single papers, largely due to…

Artificial Intelligence · Computer Science 2026-02-02 Daoyu Wang , Mingyue Cheng , Shuo Yu , Zirui Liu , Ze Guo , Xin Li , Qi Liu

Recent advancements have underscored the potential of large language model (LLM)-based agents in financial decision-making. Despite this progress, the field currently encounters two main challenges: (1) the lack of a comprehensive LLM agent…

LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across diverse chemistries and targets is unclear. Current evaluation…

Artificial Intelligence · Computer Science 2026-05-26 Kevin Han , Renfei Zhang , Kathy Wei , Hamed Mahdavi , Niloofar Mireshghallah , Amir Barati Farimani

Numerous software analysis tools exist today, yet applying them to diverse open-source projects remains challenging due to environment setup, dependency resolution, and tool configuration. LLM-based agents offer a potential solution, yet no…

Software Engineering · Computer Science 2026-04-20 Islem Bouzenia , Cristian Cadar , Michael Pradel

Turning ideas into full software projects from scratch has become a popular use case for language models. Agents are being deployed to seed, maintain, and grow codebases over extended periods with minimal human oversight. Such settings…

Recent coding agents can generate complete codebases from simple prompts, yet existing evaluations focus on issue-level bug fixing and lag behind end-to-end development. We introduce ProjDevBench, an end-to-end benchmark that provides…

Artificial Intelligence · Computer Science 2026-02-10 Pengrui Lu , Shiqi Zhang , Yunzhong Hou , Lyumanshan Ye , Chaoyi Huang , Zixi Chen , Ji Zeng , Hantao Jiang , Pengfei Liu , Yiwei Wang , Ming-Hsuan Yang

Autonomous agents have recently achieved remarkable progress across diverse domains, yet most evaluations focus on short-horizon, fully observable tasks. In contrast, many critical real-world tasks, such as large-scale software development,…

Artifact evaluation has become standard practice in the software engineering community to ensure the reproducibility of research results. However, the current manual process is labor-intensive, and hence, done only as a one-time assessment…

Software Engineering · Computer Science 2026-02-11 Doehyun Baek , Michael Pradel

Spatial transcriptomics assays are rapidly increasing in scale and complexity, making computational analysis a major bottleneck in biological discovery. Although frontier AI agents have improved dramatically at software engineering and…

Artificial Intelligence · Computer Science 2026-01-06 Kenny Workman , Zhen Yang , Harihara Muralidharan , Hannah Le
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