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Rapid development of artificial intelligence has drastically accelerated the development of scientific discovery. Trained with large-scale observation data, deep neural networks extract the underlying patterns in an end-to-end manner and…

Machine Learning · Computer Science 2024-11-26 Zijun Liu , Kaiming Liu , Yiqi Zhu , Xuanyu Lei , Zonghan Yang , Zhenhe Zhang , Peng Li , Yang Liu

Artificial intelligence offers powerful new tools for scientific discovery, but the interaction paradigms required to effectively harness these systems remain underexplored. In this paper, we present findings from a formative user study…

Artificial Intelligence · Computer Science 2026-05-08 Alex Bäuerle , Adam Connors , Alexander Novikov , Adam Zsolt Wagner , Ngân Vũ , Fernanda Viegas , Martin Wattenberg , Lucas Dixon

Since its beginnings in the 1940s, automated reasoning by computers has become a tool of ever growing importance in scientific research. So far, the rules underlying automated reasoning have mainly been formulated by humans, in the form of…

Computers and Society · Computer Science 2025-10-20 Konrad Hinsen

Data-driven scientific discovery requires iterative cycles of literature search, hypothesis generation, and data analysis. Substantial progress has been made towards AI agents that can automate scientific research, but all such agents…

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited…

Machine Learning · Computer Science 2026-05-26 Sanchit Kabra , Nikhil Abhyankar , Saaketh Desai , Prasad Iyer , Chandan K Reddy

As data-driven modeling of physical dynamical systems becomes more prevalent, a new challenge is emerging: making these models more compatible and aligned with existing human knowledge. AI-driven scientific modeling processes typically…

Machine Learning · Computer Science 2024-10-11 Kevin Zhang , Hod Lipson

As automated reasoning systems advance rapidly, there is a growing need for research-level formal mathematical problems to accurately evaluate their capabilities. To address this, we present Formal Conjectures, an evolving benchmark of…

The advent of generative AI exemplified by large language models (LLMs) opens new ways to represent and compute geographic information and transcends the process of geographic knowledge production, driving geographic information systems…

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. Driven by the growing need for standardized evaluation and integration, we…

Artificial Intelligence · Computer Science 2026-03-10 Mohamed Amine Ferrag , Norbert Tihanyi , Merouane Debbah

As deep learning systems are scaled up to many billions of parameters, relating their internal structure to external behaviors becomes very challenging. Although daunting, this problem is not new: Neuroscientists and cognitive scientists…

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

Inspired by recent and revolutionary developments in AI, particularly in language understanding and generation, we set about designing AI systems that are able to address complex scientific tasks that challenge human capabilities to make…

Computation and Language · Computer Science 2022-11-01 José Manuel Gómez-Pérez

Artificial Intelligence is a field that lives many lives, and the term has come to encompass a motley collection of scientific and commercial endeavours. In this paper, I articulate the contours of a rather neglected but central scientific…

Artificial Intelligence · Computer Science 2024-08-19 Dimitri Coelho Mollo

Neuroscience and artificial intelligence are closely intertwined, but so are the physics of dynamical system, philosophy and psychology. Each of these fields try in their own way to relate observations at the level of molecules, synapses,…

Neurons and Cognition · Quantitative Biology 2023-05-30 Richard Naud , André Longtin

The field of astronomy has arrived at a turning point in terms of size and complexity of both datasets and scientific collaboration. Commensurately, algorithms and statistical models have begun to adapt --- e.g., via the onset of artificial…

Scientific research has long been human-led, driving new knowledge and transformative technologies through the continual revision of questions, methods and claims as evidence accumulates. Although large language model (LLM)-based agents are…

Artificial Intelligence · Computer Science 2026-05-01 Shuxing Yang , Fujia Chen , Rui Zhao , Junyao Wu , Yize Wang , Haiyao Luo , Ning Han , Qiaolu Chen , Yuze Hu , Wenhao Li , Mingzhu Li , Hongsheng Chen , Yihao Yang

Differential equation discovery, a machine learning subfield, is used to develop interpretable models, particularly in nature-related applications. By expertly incorporating the general parametric form of the equation of motion and…

Machine Learning · Computer Science 2024-02-23 Alexander Hvatov , Roman Titov

Despite the surge of interest in autonomous scientific discovery (ASD) of software artifacts (e.g., improved ML algorithms), current ASD systems face two key limitations: (1) they largely explore variants of existing codebases or similarly…

Autonomous scientific research, capable of independently conducting complex experiments and serving non-specialists, represents a long-held aspiration. Achieving it requires a fundamental paradigm shift driven by artificial intelligence…

Artificial Intelligence · Computer Science 2025-07-04 Mingyu Wu , Zhaoguo Wang , Jiabin Wang , Zhiyuan Dong , Jingkai Yang , Qingting Li , Tianyu Huang , Lei Zhao , Mingqiang Li , Fei Wang , Chunhai Fan , Haibo Chen