Related papers: TRIQS/Nevanlinna: Implementation of the Nevanlinna…

Effective Hamiltonian calculations for large quantum systems can be both analytically intractable and numerically expensive using standard techniques. In this manuscript, we present numerical techniques inspired by Nonperturbative…

GRTresna is a multigrid solver designed to solve the constraint equations for the initial data required in numerical relativity simulations. In particular, it is focussed on scenarios with fundamental fields around black holes and…

We present Sketch 'n Solve, an open-source Python package that implements efficient randomized numerical linear algebra (RandNLA) techniques for solving large-scale least squares problems. While sketch-and-solve algorithms have demonstrated…

Pruning Deep Neural Networks (DNNs) is a prominent field of study in the goal of inference runtime acceleration. In this paper, we introduce a novel data-free pruning protocol RED++. Only requiring a trained neural network, and not specific…

Trapped-Ion (TI) technology offers potential breakthroughs for Noisy Intermediate Scale Quantum (NISQ) computing. TI qubits offer extended coherence times and high gate fidelity, making them appealing for large-scale NISQ computers.…

In many scientific fields like e.g. neuroscience, climatology or physics, complex relationships can be described most parsimoniously by nonlinear mechanics. Despite their relevance, many scientists still apply linear estimates in order to…

We present DFO-LS, a software package for derivative-free optimization (DFO) for nonlinear Least-Squares (LS) problems, with optional bound constraints. Inspired by the Gauss-Newton method, DFO-LS constructs simplified linear regression…

This paper reports the development of a Python Non-Uniform Fast Fourier Transform (PyNUFFT) package, which accelerates non-Cartesian image reconstruction on heterogeneous platforms. Scientific computing with Python encompasses a mature and…

We present Clinica (www.clinica.run), an open-source software platform designed to make clinical neuroscience studies easier and more reproducible. Clinica aims for researchers to i) spend less time on data management and processing, ii)…

NIFTY, "Numerical Information Field Theory", is a software package designed to enable the development of signal inference algorithms that operate regardless of the underlying spatial grid and its resolution. Its object-oriented framework is…

The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…

A method is proposed to generate an optimal fit of a number of connected linear trend segments onto time-series data. To be able to efficiently handle many lines, the method employs a stochastic search procedure to determine optimal…

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and…

Straight-through estimator (STE), which enables the gradient flow over the non-differentiable function via approximation, has been favored in studies related to quantization-aware training (QAT). However, STE incurs unstable convergence…

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

In this paper, a new python package (optipoly) is described that solves box-constrained optimization problem over multivariate polynomial cost functions. The principle of the algorithm is described before its performance is compared to…

Unitary matrix-valued functions of frequency are matrix all-pass systems, since they preserve the norm of the input vector signals. Typically, such systems are represented and analyzed using their unitary-matrix valued frequency domain…

The average spectrum method is a promising approach for the analytic continuation of imaginary time or frequency data to the real axis. It determines the analytic continuation of noisy data from a functional average over all admissible…

Our goal is compression of massive-scale grid-structured data, such as the multi-terabyte output of a high-fidelity computational simulation. For such data sets, we have developed a new software package called TuckerMPI, a parallel C++/MPI…

Advanced ultrasound computed tomography techniques like full-waveform inversion are mathematically challenging and orders of magnitude more computationally expensive than conventional ultrasound imaging methods. This computational and…