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Large language models are moving scientific research from text assistance toward agentic workflows, yet biological research requires strong object validation, methodological suitability, reproducibility, and auditability. Prompt…

Quantitative Methods · Quantitative Biology 2026-05-25 Zhenyu Ma , Yuyang Song , Chunyi Yang , Jingyi Zhu , Limei Xu , Min Xiao , Xukai Jiang

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

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress. Such methods often take the form of agentic-style iterative workflows that repeatedly…

Machine Learning · Computer Science 2026-02-23 Stefan Wahl , Raphaela Schenk , Ali Farnoud , Jakob H. Macke , Daniel Gedon

Operating LLMs as coordinated multi-agent research systems over multi-hour runs surfaces failure modes that single-shot evaluation cannot: upstream providers throttle without warning, sub-agents drift the task to fit accessible tools,…

Artificial Intelligence · Computer Science 2026-05-26 Sasank Annapureddy

Automated characterization of porous materials has the potential to accelerate materials discovery, but it remains limited by the complexity of simulation setup and force field selection. We propose a multi-agent framework in which…

Artificial Intelligence · Computer Science 2025-09-15 Marko Petković , Vlado Menkovski , Sofía Calero

We aim for mobile robots to function in a variety of common human environments. Such robots need to be able to reason about the locations of previously unseen target objects. Landmark objects can help this reasoning by narrowing down the…

Robotics · Computer Science 2020-06-22 Zhen Zeng , Adrian Röfer , Odest Chadwicke Jenkins

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably…

Computation and Language · Computer Science 2024-10-11 Yuan Chiang , Elvis Hsieh , Chia-Hong Chou , Janosh Riebesell

The rapid growth of scientific literature has made it increasingly difficult for researchers to efficiently discover, evaluate, and synthesize relevant work. Recent advances in multi-agent large language models (LLMs) have demonstrated…

Computation and Language · Computer Science 2026-04-08 Komal Kumar , Aman Chadha , Salman Khan , Fahad Shahbaz Khan , Hisham Cholakkal

Large language models, employed as multiple agents that interact and collaborate with each other, have excelled at solving complex tasks. The agents are programmed with prompts that declare their functionality, along with the topologies…

Machine Learning · Computer Science 2026-02-03 Han Zhou , Xingchen Wan , Ruoxi Sun , Hamid Palangi , Shariq Iqbal , Ivan Vulić , Anna Korhonen , Sercan Ö. Arık

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Discovering new materials is essential to solve challenges in climate change, sustainability and healthcare. A typical task in materials discovery is to search for a material in a database which maximises the value of a function. That…

Iterative cycles of theoretical prediction and experimental validation are the cornerstone of the modern scientific method. However, the proverbial "closing of the loop" in experiment-theory cycles in practice are usually ad hoc, often…

This perspective explores the evolution of materials informatics, from its foundational roots in physics and information theory to its maturation through artificial intelligence (AI). We trace the field's trajectory from early milestones to…

Computational Physics · Physics 2026-01-12 Turab Lookman , YuJie Liu , Zhibin Gao

Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

Large language model (LLM)-driven multi-agent systems (MAS) are transforming how humans and AIs collaboratively generate ideas and artifacts. While existing surveys provide comprehensive overviews of MAS infrastructures, they largely…

Human-Computer Interaction · Computer Science 2025-05-28 Yi-Cheng Lin , Kang-Chieh Chen , Zhe-Yan Li , Tzu-Heng Wu , Tzu-Hsuan Wu , Kuan-Yu Chen , Hung-yi Lee , Yun-Nung Chen

Assessing the veracity of online content has become increasingly critical. Large language models (LLMs) have recently enabled substantial progress in automated veracity assessment, including automated fact-checking and claim verification…

Computation and Language · Computer Science 2026-04-14 Yupeng Cao , Chengyang He , Yangyang Yu , Ping Wang , K. P. Subbalakshmi

The Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) framework provides a rigorous foundation for evidence synthesis, yet the manual processes of data extraction and literature screening remain time-consuming and…

Digital Libraries · Computer Science 2026-03-23 Samar Shailendra , Rajan Kadel , Aakanksha Sharma , Islam Mohammad Tahidul , Urvashi Rahul Saxena

We introduce HypoExplore, an agentic framework that formulates neural architecture discovery for visual recognition as a hypothesis-driven scientific inquiry. Given a human-specified high-level research direction, HypoExplore ideates,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Jaywon Koo , Jefferson Hernandez , Ruozhen He , Hanjie Chen , Chen Wei , Vicente Ordonez
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