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In the Python world, NumPy arrays are the standard representation for numerical data. Here, we show how these arrays enable efficient implementation of numerical computations in a high-level language. Overall, three techniques are applied…

Mathematical Software · Computer Science 2011-03-14 Stefan Van Der Walt , S. Chris Colbert , Gaël Varoquaux

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

Chemical Physics · Physics 2022-06-29 Muhammad F. Kasim , Susi Lehtola , Sam M. Vinko

diffpy$.$morph addresses a need to gain scientific insights from 1D scientific spectra in model independent ways. A powerful approach for this is to take differences between pairs of spectra and look for meaningful changes that might…

Determinantal point processes (DPPs) are specific probability distributions over clouds of points that are used as models and computational tools across physics, probability, statistics, and more recently machine learning. Sampling from…

Machine Learning · Computer Science 2022-03-22 Guillaume Gautier , Guillermo Polito , Rémi Bardenet , Michal Valko

High-Content Digital Microscopy enhances user comfort, data storage and analysis throughput, paving the way to new researches and medical diagnostics. A digital microscopy platform aims at capturing an image of a cover slip, at storing…

Computational Engineering, Finance, and Science · Computer Science 2014-04-30 Fabrice Salvaire

Noise is typically treated as the adversary of quantum information processing. For open quantum dynamics, however, dissipation is part of the target physics, creating a tension with fault-tolerant architectures designed to suppress…

Quantum Physics · Physics 2026-05-29 Sameer Dambal , Michael AD Taylor , Yu Zhang

Quantum computing is expected to become a foundational technology for solving problems that exceed the capabilities of classical systems. As quantum algorithms and hardware technologies continue to advance, the need for scalable…

Quantum Physics · Physics 2026-04-01 Folkert de Ronde , Stephan Wong , Sebastian Feld

We introduce functorial language models: a principled way to compute probability distributions over word sequences given a monoidal functor from grammar to meaning. This yields a method for training categorical compositional distributional…

Computation and Language · Computer Science 2021-03-29 Alexis Toumi , Alex Koziell-Pipe

TensorCircuit is an open source quantum circuit simulator based on tensor network contraction, designed for speed, flexibility and code efficiency. Written purely in Python, and built on top of industry-standard machine learning frameworks,…

QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…

Chemical Physics · Physics 2025-10-28 Alex Krotz , Ethan Byrd , Ken Miyazaki , Roel Tempelaar

GraphiQ is a versatile open-source framework for designing photonic graph state generation schemes, with a particular emphasis on photon-emitter hybrid circuits. Built in Python, GraphiQ consists of a suite of design tools, including…

Distributed quantum information processing seeks to overcome the scalability limitations of monolithic quantum devices by interconnecting multiple quantum processing nodes via classical and quantum communication. This approach extends the…

Quantum Physics · Physics 2025-10-20 Johannes Knörzer , Xiaoyu Liu , Benjamin F. Schiffer , Jordi Tura

We introduce CircuitQ, an open-source toolbox for the analysis of superconducting circuits implemented in Python. It features the automated construction of a symbolic Hamiltonian of the input circuit and a dynamic numerical representation…

Quantum Physics · Physics 2022-09-29 Philipp Aumann , Tim Menke , William D. Oliver , Wolfgang Lechner

Physical reservoir computing (PRC) is a computing framework that harnesses the intrinsic dynamics of physical systems for computation. It offers a promising energy-efficient alternative to traditional von Neumann computing for certain…

Computational Engineering, Finance, and Science · Computer Science 2024-10-25 Harry Youel , Daniel Prestwood , Oscar Lee , Tianyi Wei , Kilian D. Stenning , Jack C. Gartside , Will R. Branford , Karin Everschor-Sitte , Hidekazu Kurebayashi

Unexpected stimuli induce "error" or "surprise" signals in the brain. The theory of predictive coding promises to explain these observations in terms of Bayesian inference by suggesting that the cortex implements variational inference in a…

Machine Learning · Statistics 2024-10-18 Eli Sennesh , Hao Wu , Tommaso Salvatori

FCMpy is an open source package in Python for building and analyzing Fuzzy Cognitive Maps. More specifically, the package allows 1) deriving fuzzy causal weights from qualitative data, 2) simulating the system behavior, 3) applying machine…

Mathematical Software · Computer Science 2022-11-03 Samvel Mkhitaryan , Philippe J. Giabbanelli , Maciej K. Wozniak , Gonzalo Napoles , Nanne K. de Vries , Rik Crutzen

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

Distributed computation is a framework used to break down a complex computational task into smaller tasks and distributing them among computational nodes. Erasure correction codes have recently been introduced and have become a popular…

Information Theory · Computer Science 2021-08-17 Royee Yosibash , Ram Zamir

TenCirChem is an open-source Python library for simulating variational quantum algorithms for quantum computational chemistry. TenCirChem shows high performance on the simulation of unitary coupled-cluster circuits, using compact…

First-principles computational spectroscopy is a critical tool for interpreting experiment, performing structure refinement, and developing new physical understanding. Systematically setting up input files for different simulation codes and…