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The predictive accuracy of operator learning frameworks depends on the quality and quantity of available training data (input-output function pairs), often requiring substantial amounts of high-fidelity data, which can be challenging to…

Machine Learning · Computer Science 2025-10-29 Sumanta Roy , Bahador Bahmani , Ioannis G. Kevrekidis , Michael D. Shields

High-performance computing (HPC) has revolutionized our ability to perform detailed simulations of complex real-world processes. A prominent contemporary example is from aerospace propulsion, where HPC is used for rotating detonation rocket…

Numerical Analysis · Mathematics 2025-04-22 Ionut-Gabriel Farcas , Rayomand P. Gundevia , Ramakanth Munipalli , Karen E. Willcox

Modelling complex multiphysics systems governed by nonlinear and strongly coupled partial differential equations (PDEs) is a cornerstone in computational science and engineering. However, it remains a formidable challenge for traditional…

Machine Learning · Computer Science 2025-02-28 Biao Yuan , He Wang , Yanjie Song , Ana Heitor , Xiaohui Chen

Within the mathematical finance literature there is a rich catalogue of mathematical models for studying algorithmic trading problems -- such as market-making and optimal execution -- in limit order books. This paper introduces \mbtgym, a…

Trading and Market Microstructure · Quantitative Finance 2022-09-20 Joseph Jerome , Leandro Sanchez-Betancourt , Rahul Savani , Martin Herdegen

Model predictive controllers use dynamics models to solve constrained optimal control problems. However, computational requirements for real-time control have limited their use to systems with low-dimensional models. Nevertheless,…

Systems and Control · Electrical Eng. & Systems 2024-10-30 Joseph Lorenzetti , Andrew McClellan , Charbel Farhat , Marco Pavone

QMetro++ is a Python package that provides a set of tools for identifying optimal estimation protocols that maximize quantum Fisher information (QFI). Optimization can be performed for arbitrary configurations of input states,…

Quantum Physics · Physics 2026-02-04 Piotr Dulian , Stanisław Kurdziałek , Rafał Demkowicz-Dobrzański

We introduce PyChEst, a Python package which provides tools for the simultaneous estimation of multiple changepoints in the distribution of piece-wise stationary time series. The nonparametric algorithms implemented are provably consistent…

Computation · Statistics 2021-12-21 Azadeh Khaleghi , Lukas Zierahn

Partial differential equations (PDEs) govern a wide range of physical systems, and recent multimodal foundation models have shown promise for learning PDE solution operators across diverse equation families. However, existing multi-operator…

Machine Learning · Computer Science 2025-12-30 Min Zhu , Jingmin Sun , Zecheng Zhang , Hayden Schaeffer , Lu Lu

Research on deep reinforcement learning (DRL) based production scheduling (PS) has gained a lot of attention in recent years, primarily due to the high demand for optimizing scheduling problems in diverse industry settings. Numerous studies…

Machine Learning · Computer Science 2024-08-05 Constantin Waubert de Puiseau , Jannik Peters , Christian Dörpelkus , Hasan Tercan , Tobias Meisen

PAX (Physics Analysis Expert) is a novel, C++ based toolkit designed to assist teams in particle physics data analysis issues. The core of PAX are event interpretation containers, holding relevant information about and possible…

Computed tomography (CT) is a major medical imaging modality. Clinical CT scenarios, such as low-dose screening, sparse-view scanning, and metal implants, often lead to severe noise and artifacts in reconstructed images, requiring improved…

Image and Video Processing · Electrical Eng. & Systems 2025-06-04 Wenjun Xia , Chuang Niu , Ge Wang

The pyFAI package has been designed to reduce X-ray diffraction images into powder diffraction curves to be further processed by scientists. This contribution describes how to convert an image into a radial profile using the Numpy package,…

Instrumentation and Methods for Astrophysics · Physics 2014-12-22 Jérôme Kieffer , Giannis Ashiotis

Physics Informed Neural Network (PINN) is a scientific computing framework used to solve both forward and inverse problems modeled by Partial Differential Equations (PDEs). This paper introduces IDRLnet, a Python toolbox for modeling and…

Machine Learning · Computer Science 2021-07-12 Wei Peng , Jun Zhang , Weien Zhou , Xiaoyu Zhao , Wen Yao , Xiaoqian Chen

Microgrids, self contained electrical grids that are capable of disconnecting from the main grid, hold potential in both tackling climate change mitigation via reducing CO2 emissions and adaptation by increasing infrastructure resiliency.…

Artificial Intelligence · Computer Science 2020-11-17 Gonzague Henri , Tanguy Levent , Avishai Halev , Reda Alami , Philippe Cordier

At many scales in neuroscience, appropriate mathematical models take the form of complex dynamical systems. Parametrising such models to conform to the multitude of available experimental constraints is a global nonlinear optimisation…

Reinforcement learning (RL) is a promising method to solve control problems. However, model-free RL algorithms are sample inefficient and require thousands if not millions of samples to learn optimal control policies. A major source of…

Machine Learning · Computer Science 2022-10-31 Atish Dixit , Ahmed Elsheikh

The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…

Materials Science · Physics 2025-10-31 Simone Martino , Matteo Becchi , Andrew Tarzia , Daniele Rapetti , Giovanni M. Pavan

We have developed PyTIE (Python Topological Indices Expressions) which is defined as the collections of Python packages such as PyTIE D, PyTIE DS, PyTIE SMS DE, and PyTIE SMS DSE, which are open-source software packages and cross-platform…

Chemical Physics · Physics 2025-11-03 Sahaya Vijay Jeyaraj , Roy S , Govardhan S , Tony Augustine , Jyothish K

A Python package for the analysis of dark-field X-ray microscopy (DFXM) and rocking curve imaging (RCI) data is presented. \textit{darfix} provides a set of data processing and visualization tools that can be either imported as library…

PyUnfold is a Python package for incorporating imperfections of the measurement process into a data analysis pipeline. In an ideal world, we would have access to the perfect detector: an apparatus that makes no error in measuring a desired…

Data Analysis, Statistics and Probability · Physics 2018-06-12 James Bourbeau , Zigfried Hampel-Arias