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Explainability in AI is gaining attention in the computer science community in response to the increasing success of deep learning and the important need of justifying how such systems make predictions in life-critical applications. The…

Artificial Intelligence · Computer Science 2020-03-03 David Tuckey , Alessandra Russo , Krysia Broda

Recent advances in large language models (LLMs) have opened new avenues for accelerating scientific research. While models are increasingly capable of assisting with routine tasks, their ability to contribute to novel, expert-level…

Autonomous systems that generate scientific hypotheses, conduct experiments, and draft manuscripts have recently emerged as a promising paradigm for accelerating discovery. However, existing AI Scientists remain largely domain-agnostic,…

Artificial Intelligence · Computer Science 2026-03-31 Hongtao Wu , Boyun Zheng , Dingjie Song , Yu Jiang , Jianfeng Gao , Lei Xing , Lichao Sun , Yixuan Yuan

We report a framework that enables the wide adoption of authentic research educational methodology at various schools by addressing common barriers. The guiding principles we present were applied to implement a program in which teams of…

Computers and Society · Computer Science 2024-07-09 Sergey V Samsonau , Aziza Kurbonova , Lu Jiang , Hazem Lashen , Jiamu Bai , Theresa Merchant , Ruoxi Wang , Laiba Mehnaz , Zecheng Wang , Ishita Patil

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

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

Artificial intelligence (AI) has acquired notorious relevance in modern computing as it effectively solves complex tasks traditionally done by humans. AI provides methods to represent and infer knowledge, efficiently manipulate texts and…

Information Retrieval · Computer Science 2024-01-23 José de la Torre-López , Aurora Ramírez , José Raúl Romero

This report documents the programme and the outcomes of Dagstuhl Seminar 22382 "Machine Learning for Science: Bridging Data-Driven and Mechanistic Modelling". Today's scientific challenges are characterised by complexity. Interconnected…

Artificial Intelligence · Computer Science 2023-03-09 Philipp Berens , Kyle Cranmer , Neil D. Lawrence , Ulrike von Luxburg , Jessica Montgomery

The latest improvements in artificial intelligence (AI) raise new challenges for intellectual property laws, particularly concerning the inventorship issue in AI-assisted inventions - that is, those in which AI is used in the inventive…

Computers and Society · Computer Science 2026-05-19 Yevhenii Shchetynin , Duygu Usta , Bryan Khan

This article argues that the most important significance of the AI revolution, especially the rise of large language models, lies not simply in automation, but in a fundamental change in how complex information and human know-how are…

Artificial Intelligence · Computer Science 2026-04-17 Xiao-Liang Qi

In this preprint, we present A collaborative human-AI approach to building an inspectable semantic layer for Agentic AI. AI agents first propose candidate knowledge structures from diverse data sources; domain experts then validate,…

Artificial Intelligence · Computer Science 2025-12-05 Liam McGee , James Harvey , Lucy Cull , Andreas Vermeulen , Bart-Floris Visscher , Malvika Sharan

Urban research aims to understand how cities operate and evolve as complex adaptive systems. With the rapid growth of urban data and analytical methodologies, the central challenge of the field has shifted from data availability to the…

Computers and Society · Computer Science 2025-12-29 Tong Xia , Jiankun Zhang , Ruiwen You , Ao Xu , Linghao Zhang , Tengyao Tu , Jingzhi Wang , Jinghua Piao , Yunke Zhang , Fengli Xu , Yong Li

Can artificial intelligence truly contribute to creative mathematical research, or does it merely automate routine calculations while introducing risks of error? We provide empirical evidence through a detailed case study: the discovery of…

Artificial Intelligence · Computer Science 2026-04-17 Tan Bui-Thanh

Cognitive delegation to artificial intelligence (AI) systems is transforming scientific research by enabling the automation of analytical processes and the discovery of new patterns in large datasets. This study examines the ability of AI…

Quantitative Methods · Quantitative Biology 2025-03-13 Virginia del Campo , Iker Malaina

The field of AI research is advancing at an unprecedented pace, enabling automated hypothesis generation and experimental design across diverse domains such as biology, mathematics, and artificial intelligence. Despite these advancements,…

Machine Learning · Computer Science 2025-10-07 Yaowenqi Liu , Bingxu Meng , Rui Pan , Yuxing Liu , Jerry Huang , Jiaxuan You , Tong Zhang

Artificial intelligence (AI) is rapidly emerging as a new paradigm of scientific discovery, namely data-driven science, across nearly all scientific disciplines. In materials science and engineering, AI has already begun to exert a…

The "AI Scientist" paradigm is transforming scientific research by automating key stages of the research process, from idea generation to scholarly writing. This shift is expected to accelerate discovery and expand the scope of scientific…

Human-Computer Interaction · Computer Science 2026-02-05 Keyu Zhao , Fengli Xu , Yong Li , Tie-Yan Liu

This paper demonstrates that artificial intelligence can accelerate mathematical discovery by autonomously solving an open problem in theoretical physics. We present a neuro-symbolic system, combining the Gemini Deep Think large language…

Artificial Intelligence · Computer Science 2026-03-06 Michael P. Brenner , Vincent Cohen-Addad , David Woodruff

Artificial Intelligence (AI) has become an integral part of modern-day security solutions for its ability to learn very complex functions and handling "Big Data". However, the lack of explainability and interpretability of successful AI…

Artificial Intelligence · Computer Science 2020-02-25 Sheikh Rabiul Islam , William Eberle , Sheikh K. Ghafoor , Ambareen Siraj , Mike Rogers

Drug discovery is adapting to novel technologies such as data science, informatics, and artificial intelligence (AI) to accelerate effective treatment development while reducing costs and animal experiments. AI is transforming drug…

Artificial Intelligence · Computer Science 2023-07-14 Catrin Hasselgren , Tudor I. Oprea