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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

We introduce PARC, a coding agent for the autonomous and robust execution of long-horizon computational tasks. PARC is built on a hierarchical multi-agent architecture incorporating task planning, execution, and a mechanism that evaluates…

Artificial Intelligence · Computer Science 2025-12-04 Yuki Orimo , Iori Kurata , Hodaka Mori , Ryuhei Okuno , Ryohto Sawada , Daisuke Okanohara

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

Artificial intelligence (AI) is influencing heterogeneous catalysis research by accelerating simulations and materials discovery. A key frontier is integrating AI with multiscale models and multimodal experiments to address the…

Chemical Physics · Physics 2025-10-23 Andrew J. Medford , Todd N. Whittaker , Bjarne Kreitz , David W. Flaherty , John R. Kitchin

We propose a technology-agnostic, collaboration-ready stance for Human-AI Agents Collaboration Systems (HAACS) that closes long-standing gaps in prior stages (automation; flexible autonomy; agentic multi-agent collectives). Reading…

Artificial Intelligence · Computer Science 2025-10-10 Ju Wu , Calvin K. L. Or

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

The field of Embodied AI is witnessing a rapid evolution toward general-purpose robotic systems, fueled by high-fidelity simulation and large-scale data collection. However, this scaling capability remains severely bottlenecked by a…

Artificial Intelligence · Computer Science 2026-01-30 Zixing Lei , Genjia Liu , Yuanshuo Zhang , Qipeng Liu , Chuan Wen , Shanghang Zhang , Wenzhao Lian , Siheng Chen

Adapting production-level computer vision tools to bespoke scientific datasets is a critical "last mile" bottleneck. Current solutions are impractical: fine-tuning requires large annotated datasets scientists often lack, while manual code…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Xuefei , Wang , Kai A. Horstmann , Ethan Lin , Jonathan Chen , Alexander R. Farhang , Sophia Stiles , Atharva Sehgal , Jonathan Light , David Van Valen , Yisong Yue , Jennifer J. Sun

Physical AI agents, such as robots and other embodied systems operating under tight and fluctuating resource constraints, remain far less capable than biological agents in open-ended real-world environments. This paper argues that Active…

Machine Learning · Statistics 2026-03-24 Bert de Vries

Are AI agents tools, co-authors, or researchers? We present a quantified case study ($N=1$): a physicist supervising an AI coding agent (Claude Code, Sonnet and Opus models) over 12 work days and 57 sessions to build CLAX-PT, a…

Artificial Intelligence · Computer Science 2026-05-29 Nhat-Minh Nguyen

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

The electricity sector transition requires substantial increases in residential demand response capacity, yet Home Energy Management Systems (HEMS) adoption remains limited by user interaction barriers requiring translation of everyday…

Artificial Intelligence · Computer Science 2025-10-31 Reda El Makroum , Sebastian Zwickl-Bernhard , Lukas Kranzl

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e.,…

Artificial Intelligence · Computer Science 2026-05-12 Haoze Lv , Ning Lu , Ziang Zhou , Shengcai Liu

The operational efficacy of large language models relies heavily on their inference-time context. This has established Context Engineering (CE) as a formal discipline for optimizing these inputs. Current CE methods rely on manually crafted…

Artificial Intelligence · Computer Science 2026-02-12 Haoran Ye , Xuning He , Vincent Arak , Haonan Dong , Guojie Song

The escalating data scale in High-Energy Physics (HEP) fuels a growing aspiration for higher analytical efficiency. While Large Language Models (LLMs) offer a path toward automation via agentic AI, they struggle with complex scientific…

High Energy Physics - Experiment · Physics 2026-05-05 Junkun Jiao , Tong Liu , Ke Li , Weimin Song , Yipu Liao , Bolun Zhang , Beijiang Liu , Chang-Zheng Yuan , Yue Sun

Agentic coding tools, such as OpenAI Codex, Claude Code, and Cursor, are transforming the software engineering landscape. These AI-powered systems function as autonomous teammates capable of planning and executing complex development tasks.…

Software Engineering · Computer Science 2025-11-10 Kosei Horikawa , Hao Li , Yutaro Kashiwa , Bram Adams , Hajimu Iida , Ahmed E. Hassan

The rapid proliferation of scientific knowledge presents a grand challenge: transforming this vast repository of information into an active engine for discovery, especially in high-stakes domains like healthcare. Current AI agents, however,…

Artificial Intelligence · Computer Science 2025-10-14 Yinghao Zhu , Yifan Qi , Zixiang Wang , Lei Gu , Dehao Sui , Haoran Hu , Xichen Zhang , Ziyi He , Junjun He , Liantao Ma , Lequan Yu

Artificial Intelligence (AI) techniques continue to broaden across governmental and public sectors, such as power and energy - which serve as critical infrastructures for most societal operations. However, due to the requirements of…

Artificial Intelligence · Computer Science 2021-11-04 Erik Blasch , Haoran Li , Zhihao Ma , Yang Weng

Artifact evaluation has been adopted in the Software Engineering (SE) research community for 15 years, substantially improving research reproducibility across major SE conferences. However, this success has introduced a growing scalability…

Software Engineering · Computer Science 2026-02-04 Zhaonan Wu , Yanjie Zhao , Zhenpeng Chen , Zheng Wang , Haoyu Wang

Recent advancements in large foundation models have remarkably enhanced our understanding of sensory information in open-world environments. In leveraging the power of foundation models, it is crucial for AI research to pivot away from…