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The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Data-driven artificial intelligence models fed with published scientific findings have been used to create powerful prediction engines for scientific and technological advance, such as the discovery of novel materials with desired…

Artificial Intelligence · Computer Science 2021-04-13 Jamshid Sourati , James Evans

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,…

Scientists have long aimed to discover meaningful formulae which accurately describe experimental data. A common approach is to manually create mathematical models of natural phenomena using domain knowledge, and then fit these models to…

Artificial intelligence is reshaping the organization and practice of research in ways that extend far beyond gains in productivity. AI systems now accelerate discovery, reorganize scholarly labour, and mediate access to expanding…

Computers and Society · Computer Science 2026-01-12 Simon Chesterman , Loy Hui Chieh

Scientific discovery increasingly entails long-horizon exploration of complex hypothesis spaces, yet most existing approaches emphasize final performance while offering limited insight into how scientific exploration unfolds over time,…

Analogies have been central to creative problem-solving throughout the history of science and technology. As the number of scientific papers continues to increase exponentially, there is a growing opportunity for finding diverse solutions…

Human-Computer Interaction · Computer Science 2022-06-01 Hyeonsu B. Kang , Xin Qian , Tom Hope , Dafna Shahaf , Joel Chan , Aniket Kittur

Active Inference is a closed-loop computational theoretical basis for understanding behaviour, based on agents with internal probabilistic generative models that encode their beliefs about how hidden states in their environment cause their…

Human-Computer Interaction · Computer Science 2024-12-20 Roderick Murray-Smith , John H. Williamson , Sebastian Stein

As data-driven methods, artificial intelligence (AI), and automated workflows accelerate scientific tasks, we see the rate of discovery increasingly limited by human decision-making tasks such as setting objectives, generating hypotheses,…

Multiagent Systems · Computer Science 2025-10-16 J. Gregory Pauloski , Kyle Chard , Ian T. Foster

There are two important things in science: (A) Finding answers to given questions, and (B) Coming up with good questions. Our artificial scientists not only learn to answer given questions, but also continually invent new questions, by…

Machine Learning · Computer Science 2023-01-02 Vincent Herrmann , Louis Kirsch , Jürgen Schmidhuber

State-of-the-art AI models largely lack an understanding of the cause-effect relationship that governs human understanding of the real world. Consequently, these models do not generalize to unseen data, often produce unfair results, and are…

Cognitive studies and artificial intelligence have developed distinct models for various inferential mechanisms (categorization, induction, abduction, causal inference, contrast, merge, ...). Yet, both natural and artificial views on…

Artificial Intelligence · Computer Science 2025-10-28 Giovanni Sileno , Jean-Louis Dessalles

The scientific method is the cornerstone of human progress across all branches of the natural and applied sciences, from understanding the human body to explaining how the universe works. The scientific method is based on identifying…

Artificial Intelligence · Computer Science 2025-02-28 Gianmarco Mengaldo

This paper introduces System 0, a conceptual framework for understanding how artificial intelligence functions as a cognitive extension preceding both intuitive (System 1) and deliberative (System 2) thinking processes. As AI systems…

Human-Computer Interaction · Computer Science 2025-06-18 Massimo Chiriatti , Marianna Bergamaschi Ganapini , Enrico Panai , Brenda K. Wiederhold , Giuseppe Riva

AI research agents can now generate research ideas, design experiments, run code, and draft papers, raising the possibility of large-scale AI-assisted scientific discovery. Many current agent frameworks explicitly encourage the generation…

Computation and Language · Computer Science 2026-05-28 Yixuan Tang , Yi Yang

Philosophers have recently focused on critical, epistemological challenges that arise from the opacity of deep neural networks. One might conclude from this literature that doing good science with opaque models is exceptionally challenging,…

Artificial Intelligence · Computer Science 2024-01-17 Eamon Duede

Active inference is a normative principle underwriting perception, action, planning, decision-making and learning in biological or artificial agents. From its inception, its associated process theory has grown to incorporate complex…

Neurons and Cognition · Quantitative Biology 2021-02-02 Lancelot Da Costa , Thomas Parr , Noor Sajid , Sebastijan Veselic , Victorita Neacsu , Karl Friston

Recent advances in artificial intelligence (AI) have achieved human-scale speed and accuracy for classification tasks. In turn, these capabilities have made AI a viable replacement for many human activities that at their core involve…

Artificial Intelligence · Computer Science 2022-05-24 Hadi Esmaeilzadeh , Reza Vaezi

A fascinating hypothesis is that human and animal intelligence could be explained by a few principles (rather than an encyclopedic list of heuristics). If that hypothesis was correct, we could more easily both understand our own…

Machine Learning · Computer Science 2022-08-02 Anirudh Goyal , Yoshua Bengio

Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in function approximation, the discovery of explainable and…

Artificial Intelligence · Computer Science 2026-05-01 Gyoung S. Na , Chanyoung Park