相关论文: SrRietveld: A program for automating Rietveld refi…

Powder X-ray diffraction analysis is a critical component of materials characterization methodologies. Discerning characteristic Bragg intensity peaks and assigning them to known crystalline phases is the first qualitative step of…

In this article we report the release of a new program for batch processing and visualization of powder diffraction data. The program, which is free-of-charge for non-commercial use and can be obtained with its detailed documentation from…

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As…

This article presents a high-throughput computer program, called EasyDD, for batch processing, analyzing and visualizing of spectral data; particularly those related to the new generation of synchrotron detectors and X-ray powder…

In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…

We describe the basic instrument detrending software for the NIRWALS spectrograph on the SALT telescope. Its basic purpose is to process multiple non-destructive reads of increasing exposure time into a final image reflecting the observed…

Creating high-quality data for training robust language-instructed agents is a long-lasting challenge in embodied AI. In this paper, we introduce a Self-Refining Data Flywheel (SRDF) that generates high-quality and large-scale navigational…

We provide a suite of public open-source spectral data-reduction software to rapidly obtain scientific products from all forms of long-slit-like spectroscopic observations. Automated SpectroPhotometric REDuction (ASPIRED) is a Python-based…

New and upgraded radio interferometers produce data at massive rates and will require significant improvements in analysis techniques to reach their promised levels of performance in a routine manner. Until these techniques are fully…

I present a fast Python tool, SpectRes, for carrying out the resampling of spectral flux densities and their associated uncertainties onto different wavelength grids. The function works with any grid of wavelength values, including…

PyIRD is a Python-based pipeline for reducing spectroscopic data obtained with IRD (InfraRed Doppler; Kotani et al. (2018)) and REACH (Rigorous Exoplanetary Atmosphere Characterization with High dispersion coronagraphy; Kotani et al.…

Deep R Programming is a comprehensive and in-depth introductory course on one of the most popular languages for data science. It equips ambitious students, professionals, and researchers with the knowledge and skills to become independent…

Refinement Reflection turns your favorite programming language into a proof assistant by reflecting the code implementing a user-defined function into the function's (output) refinement type. As a consequence, at uses of the function, the…

SHallow REcurrent Decoders (SHRED) provide a deep learning strategy for modeling high-dimensional dynamical systems and/or spatiotemporal data from dynamical system snapshot observations. PySHRED is a Python package that implements SHRED…

We present SPIKE (Spectrometry Processing Innovative KErnel), an open-source Python package dedicated to Fourier spectroscopies. It provides basic functionalities such as apodisation, a complete set of Fourier transforms, phasing for NMR),…

Analysis of XRD diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a…

Tools for algorithmic differentiation (AD) provide accurate derivatives of computer-implemented functions for use in, e. g., optimization and machine learning (ML). However, they often require the source code of the function to be available…

We address the safety verification and synthesis problems for real-time systems. We introduce real-time programs that are made of instructions that can perform assignments to discrete and real-valued variables. They are general enough to…

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

Dataset distillation aims to generate compact synthetic datasets that enable models trained on them to achieve performance comparable to those trained on full real datasets, while substantially reducing storage and computational costs.…