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Modern scientific computational methods are undergoing a transformative change; big data and statistical learning methods now have the potential to outperform the classical first-principles modeling paradigm. This book bridges this…

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In recent years, machine learning methods have been widely used to study physical systems that are challenging to solve with governing equations. Physicists and engineers are framing the data-driven paradigm as an alternative approach to…

Computational Physics · Physics 2020-07-02 Jong-Hoon Ahn

The success of the current wave of artificial intelligence can be partly attributed to deep neural networks, which have proven to be very effective in learning complex patterns from large datasets with minimal human intervention. However,…

Machine Learning · Computer Science 2022-06-01 Haakon Robinson , Suraj Pawar , Adil Rasheed , Omer San

Understanding how complex systems respond to perturbations, such as whether they will remain stable or what their most sensitive patterns are, is a fundamental challenge across science and engineering. Traditional stability and receptivity…

Fluid Dynamics · Physics 2026-04-28 Chengyun Wang , Liwei Chen , Nils Thuerey

Neural operators aim to approximate the solution operator of a system of differential equations purely from data. They have shown immense success in modeling complex dynamical systems across various domains. However, the occurrence of…

Machine Learning · Computer Science 2025-04-01 Christopher Bülte , Philipp Scholl , Gitta Kutyniok

Modeling complex spatiotemporal dynamics, particularly in far-from-equilibrium systems, remains a grand challenge in science. The governing partial differential equations (PDEs) for these systems are often intractable to derive from first…

Machine Learning · Computer Science 2026-01-26 Xizhe Wang , Xiaobin Song , Qingshan Jia , Hao Sun , Hongbo Zhao , Benben Jiang

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and…

Machine Learning · Computer Science 2025-12-01 Rio Alexa Fear , Payel Mukhopadhyay , Michael McCabe , Alberto Bietti , Miles Cranmer

Although deep learning has achieved remarkable success in various scientific machine learning applications, its opaque nature poses concerns regarding interpretability and generalization capabilities beyond the training data.…

Machine Learning · Computer Science 2024-04-18 Amirhossein Arzani , Lingxiao Yuan , Pania Newell , Bei Wang

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang

Statistical learning in high-dimensional spaces is challenging without a strong underlying data structure. Recent advances with foundational models suggest that text and image data contain such hidden structures, which help mitigate the…

Machine Learning · Statistics 2025-02-04 Charles Arnal , Clement Berenfeld , Simon Rosenberg , Vivien Cabannes

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

Understanding and mapping a new environment are core abilities of any autonomously navigating agent. While classical robotics usually estimates maps in a stand-alone manner with SLAM variants, which maintain a topological or metric…

Computer Vision and Pattern Recognition · Computer Science 2023-09-28 Pierre Marza , Laetitia Matignon , Olivier Simonin , Christian Wolf

Neural operators have emerged as powerful tools for learning nonlinear mappings between function spaces, enabling real-time prediction of complex dynamics in diverse scientific and engineering applications. With their growing adoption in…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Weiheng Zhong , Qibang Liu , Diab Abueidda , Seid Koric , Hadi Meidani

A long-standing problem at the interface of artificial intelligence and applied mathematics is to devise an algorithm capable of achieving human level or even superhuman proficiency in transforming observed data into predictive mathematical…

Machine Learning · Statistics 2018-01-23 Maziar Raissi

Machine learning models often require large datasets and struggle to generalize beyond their training distribution. These limitations pose significant challenges in scientific and engineering contexts, where generating exhaustive datasets…

Chemical Physics · Physics 2025-06-12 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

Experimental data is often comprised of variables measured independently, at different sampling rates (non-uniform ${\Delta}$t between successive measurements); and at a specific time point only a subset of all variables may be sampled.…

Machine Learning · Computer Science 2023-05-01 Saurabh Malani , Tom S. Bertalan , Tianqi Cui , Jose L. Avalos , Michael Betenbaugh , Ioannis G. Kevrekidis

Scientific applications increasingly demand real-time surrogate models that can capture the behavior of strongly coupled multiphysics systems driven by multiple input functions, such as in thermo-mechanical and electro-thermal processes.…

Machine Learning · Computer Science 2025-07-08 Kazuma Kobayashi , Jaewan Park , Qibang Liu , Seid Koric , Diab Abueidda , Syed Bahauddin Alam

To make progress in science, we often build abstract representations of physical systems that meaningfully encode information about the systems. The representations learnt by most current machine learning techniques reflect statistical…

Scientific discovery and engineering design are currently limited by the time and cost of physical experiments, selected mostly through trial-and-error and intuition that require deep domain expertise. Numerical simulations present an…

Machine Learning · Computer Science 2024-01-08 Kamyar Azizzadenesheli , Nikola Kovachki , Zongyi Li , Miguel Liu-Schiaffini , Jean Kossaifi , Anima Anandkumar

The inception of spatial transcriptomics has allowed improved comprehension of tissue architectures and the disentanglement of complex underlying biological, physiological, and pathological processes through their positional contexts.…

Machine Learning · Computer Science 2023-02-02 Junaid Ahmed , Alhassan S. Yasin