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Autonomous coding agents built on large language models (LLMs) can now solve many general software and machine learning tasks, but they remain ineffective on complex, domain-specific scientific problems. Medical imaging is a particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Roshan Kenia , Xiaoman Zhang , Pranav Rajpurkar

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

While large language models have significantly accelerated scientific code generation, comprehensively evaluating the generated code remains a major challenge. Traditional benchmarks reduce evaluation to test-case matching, an approach…

Artificial Intelligence · Computer Science 2026-03-18 Hong Zhang , Barry Smith , Satish Balay , Le Chen , Murat Keceli , Lois Curfman McInnes , Junchao Zhang

Autonomous agents powered by multimodal large language models have been developed to facilitate task execution on mobile devices. However, prior work has predominantly focused on atomic tasks -- such as shot-chain execution tasks and…

Computation and Language · Computer Science 2025-06-11 Yuan Guo , Tingjia Miao , Zheng Wu , Pengzhou Cheng , Ming Zhou , Zhuosheng Zhang

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

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…

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You

Advancements in Large Language Models (LLMs) are revolutionizing the development of autonomous agentic systems by enabling dynamic, context-aware task decomposition and automated tool selection. These sophisticated systems possess…

Artificial Intelligence · Computer Science 2024-10-31 Adrian Garret Gabriel , Alaa Alameer Ahmad , Shankar Kumar Jeyakumar

Accurate information retrieval (IR) is critical in the financial domain, where investors must identify relevant information from large collections of documents. Traditional IR methods -- whether sparse or dense -- often fall short in…

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…

We analyze the challenges of benchmarking scientific (multi)-agentic systems, including the difficulty of distinguishing reasoning from retrieval, the risks of data/model contamination, the lack of reliable ground truth for novel research…

Computers and Society · Computer Science 2026-04-07 Marcin Abram

Agentic systems for drug discovery have demonstrated autonomous synthesis planning, literature mining, and molecular design. We ask how well they generalize. Evaluating six frameworks against 15 task classes drawn from peptide therapeutics,…

Quantitative Methods · Quantitative Biology 2026-02-12 Edward Wijaya

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

Information seeking is a fundamental requirement for humans. However, existing LLM agents rely heavily on open-web search, which exposes two fundamental weaknesses: online content is noisy and unreliable, and many real-world tasks require…

Computation and Language · Computer Science 2025-10-07 Yaxin Du , Yuanshuo Zhang , Xiyuan Yang , Yifan Zhou , Cheng Wang , Gongyi Zou , Xianghe Pang , Wenhao Wang , Menglan Chen , Shuo Tang , Zhiyu Li , Feiyu Xiong , Siheng Chen

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

AI agent research spans a wide spectrum: from RL agents that learn from scratch to foundation model agents that leverage pre-trained knowledge, yet no unified benchmark enables fair comparison across these approaches. We present Agentick, a…

Artificial Intelligence · Computer Science 2026-05-14 Roger Creus Castanyer , Pablo Samuel Castro , Glen Berseth

The surge in scientific publications challenges traditional review methods, demanding tools that integrate structured metadata with full-text analysis. Hybrid Retrieval Augmented Generation (RAG) systems, combining graph queries with vector…

The transition from monolithic large language models (LLMs) to modular, skill-equipped agents represents a fundamental architectural shift in artificial intelligence deployment. While general-purpose models demonstrate remarkable breadth in…

Artificial Intelligence · Computer Science 2026-03-18 Shuzhen Bi , Mengsong Wu , Hao Hao , Keqian Li , Wentao Liu , Siyu Song , Hongbo Zhao , Aimin Zhou

While integrating tools like Code Interpreter and Search has significantly enhanced Large Language Model (LLM) reasoning in models like ChatGPT Agent and Gemini-Pro, practical guidance on optimal tool use is lacking. The core challenge is…

Computation and Language · Computer Science 2025-10-03 Yongchao Chen , Jiefeng Chen , Rui Meng , Ji Yin , Na Li , Chuchu Fan , Chi Wang , Tomas Pfister , Jinsung Yoon

The rapid expansion of chemistry literature poses significant challenges for researchers seeking to efficiently access domain-specific knowledge. To support advancements in chemistry-focused natural language processing (NLP), we present…

Artificial Intelligence · Computer Science 2025-06-16 Mahmoud Amiri , Thomas Bocklitz
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