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The process of developing theories and models and testing them with experiments is fundamental to the scientific method. Automating the entire scientific method then requires not only automation of the induction of theories from data, but…

The scientific method relies on the iterated processes of inference and inquiry. The inference phase consists of selecting the most probable models based on the available data; whereas the inquiry phase consists of using what is known about…

Machine Learning · Statistics 2015-05-19 N. K. Malakar , K. H. Knuth

I describe a framework for adaptive scientific exploration based on iterating an Observation--Inference--Design cycle that allows adjustment of hypotheses and observing protocols in response to the results of observation on-the-fly, as data…

Astrophysics · Physics 2009-11-10 Thomas J. Loredo

Machine learning with application to questions in the physical sciences has become a widely used tool, successfully applied to classification, regression and optimization tasks in many areas. Research focus mostly lies in improving the…

Machine Learning · Computer Science 2021-07-20 Pascal Friederich , Mario Krenn , Isaac Tamblyn , Alan Aspuru-Guzik

This technical note considers the sampling of outcomes that provide the greatest amount of information about the structure of underlying world models. This generalisation furnishes a principled approach to structure learning under a…

Neurons and Cognition · Quantitative Biology 2025-12-25 Karl Friston , Lancelot Da Costa , Alexander Tschantz , Conor Heins , Christopher Buckley , Tim Verbelen , Thomas Parr

In the quest to align deep learning with the sciences to address calls for rigor, safety, and interpretability in machine learning systems, this contribution identifies key missing pieces: the stages of hypothesis formulation and testing,…

Machine Learning · Computer Science 2019-04-25 Jessica Zosa Forde , Michela Paganini

The exponential growth of scientific knowledge has made the automated generation of scientific hypotheses that combine novelty, feasibility, and research value a core challenge. Existing methods based on large language models fail to…

Artificial Intelligence · Computer Science 2025-08-05 Shiyang Duan , Yuan Tian , Qi Bing , Xiaowei Shao

The rapid evolution of artificial intelligence has led to expectations of transformative impact on science, yet current systems remain fundamentally limited in enabling genuine scientific discovery. This perspective contends that progress…

Artificial Intelligence · Computer Science 2025-12-16 Karthik Duraisamy

Modern intelligent systems researchers employ the scientific method: they form hypotheses about system behavior, and then run experiments using one or more independent variables to test their hypotheses. We present SIERRA, a novel framework…

Robotics · Computer Science 2022-03-10 John Harwell , London Lowmanstone , Maria Gini

Efficient operation of intelligent machines in the real world requires methods that allow them to understand and predict the uncertainties presented by the unstructured environments with good accuracy, scalability and generalization,…

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent…

Artificial Intelligence · Computer Science 2025-05-27 Aniketh Garikaparthi , Manasi Patwardhan , Lovekesh Vig , Arman Cohan

The study of intelligent systems explains behaviour in terms of economic rationality. This results in an optimization principle involving a function or utility, which states that the system will evolve until the configuration of maximum…

Information Theory · Computer Science 2024-06-18 Pedro Hack

This white paper lays out a vision of research and development in the field of artificial intelligence for the next decade (and beyond). Its denouement is a cyber-physical ecosystem of natural and synthetic sense-making, in which humans are…

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel…

Service robots need to reason to support people in daily life situations. Reasoning is an expensive resource that should be used on demand whenever the expectations of the robot do not match the situation of the world and the execution of…

Robotics · Computer Science 2020-12-15 Luis A. Pineda , Noé Hernández , Arturo Rodríguez , Ricardo Cruz , Gibrán Fuentes

Scientific inference involves obtaining the unknown properties or behavior of a system in the light of what is known, typically, without changing the system. Here we propose an alternative to this approach: a system can be modified in a…

Statistical Mechanics · Physics 2019-03-11 Nathaniel Rupprecht , Dervis Vural

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained…

Computation and Language · Computer Science 2024-06-13 Zonglin Yang , Xinya Du , Junxian Li , Jie Zheng , Soujanya Poria , Erik Cambria

In drug discovery, highly automated high-throughput laboratories are used to screen a large number of compounds in search of effective drugs. These experiments are expensive, so one might hope to reduce their cost by only experimenting on a…

Machine Learning · Computer Science 2025-04-15 Ihor Neporozhnii , Julien Roy , Emmanuel Bengio , Jason Hartford

Mathematical modeling is an essential step, for example, to analyze the transient behavior of a dynamical process and to perform engineering studies such as optimization and control. With the help of first-principles and expert knowledge, a…

Machine Learning · Computer Science 2021-03-30 Pawan Goyal , Peter Benner

Smart microscopy represents a paradigm shift in biological imaging, moving from passive observation tools to active collaborators in scientific inquiry. Enabled by advances in automation, computational power, and artificial intelligence,…

Artificial Intelligence · Computer Science 2025-05-28 P. S. Kesavan , Pontus Nordenfelt
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