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Quantum circuit simulation is a challenging computational problem crucial for quantum computing research and development. The predominant approaches in this area center on tensor networks, prized for their better concurrency and less…

Tensor train is a hierarchical tensor network structure that helps alleviate the curse of dimensionality by parameterizing large-scale multidimensional data via a set of network of low-rank tensors. Associated with such a construction is a…

Machine Learning · Computer Science 2018-03-15 Wenqi Wang , Vaneet Aggarwal , Shuchin Aeron

The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…

Computational Physics · Physics 2021-05-31 Daniel Schick

BondGraphTools is a Python library for scripted modelling of complex multi-physics systems. In contrast to existing modelling solutions, BondGraphTools is based upon the well established bond graph methodology, provides a programming…

Systems and Control · Electrical Eng. & Systems 2019-06-27 Peter Cudmore , Peter J. Gawthrop , Michael Pan , Edmund J. Crampin

Space-filling experimental design techniques are commonly used in many computer modeling and simulation studies to explore the effects of inputs on outputs. This research presents raxpy, a Python package that leverages expressive annotation…

Mathematical Software · Computer Science 2025-01-08 Neil Ranly , Torrey Wagner

Tensor networks (TNs) have been gaining interest as multiway data analysis tools owing to their ability to tackle the curse of dimensionality and to represent tensors as smaller-scale interconnections of their intrinsic features. However,…

Signal Processing · Electrical Eng. & Systems 2017-11-03 Giuseppe G. Calvi , Ilia Kisil , Danilo P. Mandic

The Tensor-Train (TT) format is a highly compact low-rank representation for high-dimensional tensors. TT is particularly useful when representing approximations to the solutions of certain types of parametrized partial differential…

An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…

Computational Engineering, Finance, and Science · Computer Science 2020-09-01 Adam Yonge , M. Ross Kunz , Rakesh Batchu , Zongtang Fang , Tobin Issac , Rebecca Fushimi , Andrew J. Medford

qcombo is a Python package for the symbolic evaluation of commutators between general quantum many-body operators expressed in normal-ordered form using the generalized Wick theorem. The package provides an automated and systematic…

Nuclear Theory · Physics 2026-03-26 L. H. Chen , Y. Li , H. Hergert , J. M. Yao

`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…

Theano is a Python library that allows to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. Since its introduction, it has been one of the most used CPU and GPU mathematical compilers -…

Symbolic Computation · Computer Science 2016-05-10 The Theano Development Team , Rami Al-Rfou , Guillaume Alain , Amjad Almahairi , Christof Angermueller , Dzmitry Bahdanau , Nicolas Ballas , Frédéric Bastien , Justin Bayer , Anatoly Belikov , Alexander Belopolsky , Yoshua Bengio , Arnaud Bergeron , James Bergstra , Valentin Bisson , Josh Bleecher Snyder , Nicolas Bouchard , Nicolas Boulanger-Lewandowski , Xavier Bouthillier , Alexandre de Brébisson , Olivier Breuleux , Pierre-Luc Carrier , Kyunghyun Cho , Jan Chorowski , Paul Christiano , Tim Cooijmans , Marc-Alexandre Côté , Myriam Côté , Aaron Courville , Yann N. Dauphin , Olivier Delalleau , Julien Demouth , Guillaume Desjardins , Sander Dieleman , Laurent Dinh , Mélanie Ducoffe , Vincent Dumoulin , Samira Ebrahimi Kahou , Dumitru Erhan , Ziye Fan , Orhan Firat , Mathieu Germain , Xavier Glorot , Ian Goodfellow , Matt Graham , Caglar Gulcehre , Philippe Hamel , Iban Harlouchet , Jean-Philippe Heng , Balázs Hidasi , Sina Honari , Arjun Jain , Sébastien Jean , Kai Jia , Mikhail Korobov , Vivek Kulkarni , Alex Lamb , Pascal Lamblin , Eric Larsen , César Laurent , Sean Lee , Simon Lefrancois , Simon Lemieux , Nicholas Léonard , Zhouhan Lin , Jesse A. Livezey , Cory Lorenz , Jeremiah Lowin , Qianli Ma , Pierre-Antoine Manzagol , Olivier Mastropietro , Robert T. McGibbon , Roland Memisevic , Bart van Merriënboer , Vincent Michalski , Mehdi Mirza , Alberto Orlandi , Christopher Pal , Razvan Pascanu , Mohammad Pezeshki , Colin Raffel , Daniel Renshaw , Matthew Rocklin , Adriana Romero , Markus Roth , Peter Sadowski , John Salvatier , François Savard , Jan Schlüter , John Schulman , Gabriel Schwartz , Iulian Vlad Serban , Dmitriy Serdyuk , Samira Shabanian , Étienne Simon , Sigurd Spieckermann , S. Ramana Subramanyam , Jakub Sygnowski , Jérémie Tanguay , Gijs van Tulder , Joseph Turian , Sebastian Urban , Pascal Vincent , Francesco Visin , Harm de Vries , David Warde-Farley , Dustin J. Webb , Matthew Willson , Kelvin Xu , Lijun Xue , Li Yao , Saizheng Zhang , Ying Zhang

Quantics Tensor Train (QTT) operations such as matrix product operator contractions are prohibitively expensive for large bond dimensions. We propose an adaptive patching scheme that exploits block-sparse QTT structures to reduce costs…

PyTransport constitutes a straightforward code written in C++ together with Python scripts which automatically edit, compile and run the C++ code as a Python module. It has been written for Unix-like systems (OS X and Linux). Primarily the…

Cosmology and Nongalactic Astrophysics · Physics 2017-08-25 David J. Mulryne , John W. Ronayne

We consider the solution of linear systems with tensor product structure using a GMRES algorithm. In order to cope with the computational complexity in large dimension both in terms of floating point operations and memory requirement, our…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-27 Olivier Coulaud , Luc Giraud , Martina Iannacito

We recently introduced a method to approximate functions of Hermitian Matrix Product Operators or Tensor Trains that are of the form $\mathsf{Tr} f(A)$. Functions of this type occur in several applications, most notably in quantum physics.…

Numerical Analysis · Computer Science 2018-03-28 Moritz August , Thomas Huckle

The various algorithms used to extrapolate particle trajectories from measurements are often very time-consuming with computational complexities which are typically quadratic. In this article, we propose a new algorithm called GEM with a…

Data Analysis, Statistics and Probability · Physics 2018-06-22 Frédéric Magniette

This paper summarizes the essential functionality of the computer algebra package HarmonicSums. On the one hand HarmonicSums can work with nested sums such as harmonic sums and their generalizations and on the other hand it can treat…

Symbolic Computation · Computer Science 2014-07-24 Jakob Ablinger

A file repository for calculations of cross sections and kinematic distributions using Monte Carlo generators for high-energy collisions is discussed. The repository is used to facilitate effective preservation and archiving of data from…

High Energy Physics - Phenomenology · Physics 2015-05-18 S. V. Chekanov

A \emph{tensor-relational} computation is a relational computation where individual tuples carry vectors, matrices, or higher-dimensional arrays. An advantage of tensor-relational computation is that the overall computation can be executed…

Mathematical Software · Computer Science 2026-03-11 Yuxin Tang , Zhiyuan Xin , Zhimin Ding , Xinyu Yao , Daniel Bourgeois , Tirthak Patel , Chris Jermaine

This article introduces the Mathematica package \emph{HEPMath} which provides a number of utilities and algorithms for High Energy Physics computations in Mathematica. Its functionality is similar to packages like FormCalc or FeynCalc, but…

High Energy Physics - Phenomenology · Physics 2015-07-08 Martin Wiebusch