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Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text, and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum…

Transformer-based models have become state-of-the-art tools in various machine learning tasks, including time series classification, yet their complexity makes understanding their internal decision-making challenging. Existing…

Machine Learning · Computer Science 2025-11-27 Matīss Kalnāre , Sofoklis Kitharidis , Thomas Bäck , Niki van Stein

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior…

While the uptake of data-driven approaches for materials science and chemistry is at an exciting, early stage, to realise the true potential of machine learning models for successful scientific discovery, they must have qualities beyond…

Materials Science · Physics 2022-06-28 Felipe Oviedo , Juan Lavista Ferres , Tonio Buonassisi , Keith Butler

High-dimensional time series are common in many domains. Since human cognition is not optimized to work well in high-dimensional spaces, these areas could benefit from interpretable low-dimensional representations. However, most…

Machine Learning · Computer Science 2019-01-07 Vincent Fortuin , Matthias Hüser , Francesco Locatello , Heiko Strathmann , Gunnar Rätsch

Decision-making in complex systems often relies on machine learning models, yet highly accurate models such as XGBoost and neural networks can obscure the reasoning behind their predictions. In operations research applications,…

Machine Learning · Computer Science 2025-02-28 Gaurav Arwade , Sigurdur Olafsson

Many chemical engineering systems are governed by mechanisms that switch across operating regimes, making the data-driven discovery of regime-dependent governing equations essential for predictive modeling, optimization, and control. We…

Systems and Control · Electrical Eng. & Systems 2026-05-26 Ilias Mitrai , Tongjia Liu , Gabriel E. Sanoja

Interpretability in machine learning models is important in high-stakes decisions, such as whether to order a biopsy based on a mammographic exam. Mammography poses important challenges that are not present in other computer vision tasks:…

Machine Learning · Computer Science 2021-03-24 Alina Jade Barnett , Fides Regina Schwartz , Chaofan Tao , Chaofan Chen , Yinhao Ren , Joseph Y. Lo , Cynthia Rudin

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

Experimental data bases are typically very large and high dimensional. To learn from them requires to recognize important features (a pattern), often present at scales different to that of the recorded data. Following the experience…

Data Analysis, Statistics and Probability · Physics 2021-01-21 Francisco Chinesta , Elias Cueto , Miroslav Grmela , Beatriz Moya , Michal Pavelka , Martin Sipka

Classical machine learning has succeeded in the prediction of both classical and quantum phases of matter. Notably, kernel methods stand out for their ability to provide interpretable results, relating the learning process with the physical…

Quantum Physics · Physics 2022-05-05 Teresa Sancho-Lorente , Juan Román-Roche , David Zueco

Mechanistic Interpretability (MI) promises a path toward fully understanding how neural networks make their predictions. Prior work demonstrates that even when trained to perform simple arithmetic, models can implement a variety of…

Machine Learning · Computer Science 2024-05-28 Ouail Kitouni , Niklas Nolte , Víctor Samuel Pérez-Díaz , Sokratis Trifinopoulos , Mike Williams

Cross-platform verification, a critical undertaking in the realm of early-stage quantum computing, endeavors to characterize the similarity of two imperfect quantum devices executing identical algorithms, utilizing minimal measurements.…

Quantum Physics · Physics 2023-11-08 Yang Qian , Yuxuan Du , Zhenliang He , Min-hsiu Hsieh , Dacheng Tao

Accurate characterization of quantum systems is essential for the development of quantum technologies, particularly in the noisy intermediate-scale quantum (NISQ) era. While traditional methods for Hamiltonian learning and noise…

Quantum Physics · Physics 2025-07-18 Gubio G. de Lima , Iann Cunha , Leonardo Kleber Castelano

Discovering the unknown governing equations of grid-connected inverters from external measurements holds significant attraction for analyzing modern inverter-intensive power systems. However, existing methods struggle to balance the…

Systems and Control · Electrical Eng. & Systems 2026-02-19 Jialin Zheng , Ruhaan Batta , Zhong Liu , Xiaonan Lu

Partial Differential Equations (PDEs) with high dimensionality are commonly encountered in computational physics and engineering. However, finding solutions for these PDEs can be computationally expensive, making model-order reduction…

Machine Learning · Statistics 2023-03-07 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis , Petros Koumoutsakos

Quantum many-body (QMB) systems are generally computationally hard: the computing resources necessary to simulate them exactly can often exceed the existing computation resources by orders of magnitude. For this reason, Richard Feynman…

Physics models typically contain adjustable parameters to reproduce measured data. While some parameters correspond directly to measured features in the data, others are unobservable. These unobservables can, in some cases, cause…

Nuclear Theory · Physics 2024-03-11 C. H. Kim , K. Y. Chae , M. S. Smith , D. W. Bardayan , C. R. Brune , R. J. deBoer , D. Lu , D. Odell

The classification of big data usually requires a mapping onto new data clusters which can then be processed by machine learning algorithms by means of more efficient and feasible linear separators. Recently, Lloyd et al. have advanced the…

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