The REsource for Materials Informatics (REMI) will host a diverse collection of scripting notebooks (Jupyter, Matlab LiveScripts, etc.) for collecting, pre-processing, analyzing, and visualizing materials data. Notebooks are curated using tags aligned to Materials Science and Data Science topics. REMI emerged from the realization that both experts and novices wanted examples of using machine learning for science. Meanwhile, lots of experts are developing digital notebooks (e.g. Jupyter) to demonstrate step-by-step data collection, pre-processing, analysis and visualization.

Code and demonstration data for the paper, "On-the-fly closed-loop materials discovery via Bayesian active learning," Kusne, A.G., Yu, H., Wu, C. et al. Nat Commun 11, 5966 (2020). https://doi.org/10.1038/s41467-020 19597-w Code: Closed-loop autonomous materials exploration and optimization. This code is used to control an autonomous materials exploration and optimization platform. It guides subsequent experiments to learn about a material's phase map and target functional properties in a unified framework.

This data set consists of both measured and simulated optical intensities scattered off periodic line arrays, with simulations based upon an average geometric model for these lines. These data were generated in order to determine the average feature sizes based on optical scattering, which is an inverse problem for which solutions to the forward problem are calculated using electromagnetic simulations after a parameterization of the feature geometry.

This software tool generates simulated radar signals and creates RF datasets. The datasets can be used to develop and test detection algorithms by utilizing machine learning/deep learning techniques for the 3.5 GHz Citizens Broadband Radio Service (CBRS) or similar bands. In these bands, the primary users of the band are federal incumbent radar systems. The software tool generates radar waveforms and randomizes the radar waveform parameters.

This software repository contains a python package Aegis (Active Evaluator Germane Interactive Selector) package that allows us to evaluate machine learning systems's performance (according to a metric such as accuracy) by adaptively sampling trials to label from an unlabeled test set to minimize the number of labels needed. This includes sample (public) data as well as a simulation script that tests different label-selecting strategies on already labelled test sets. This software is configured so that users can add their own data and system outputs to test evaluation.

SCATMECH is a library of object-oriented C++ computer codes originally developed for disseminating models for polarized light scattering from surfaces and aerosols and for diffraction from gratings. The pySCATMECH package has been developed as an interface to the SCATMECH library, simplifying use of the codes and allowing for more rapid development of software for these applications.

Python module 'optbayesexpt' uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given an parametric model - analogous to a fitting function - Bayesian inference uses each measurement 'data point' to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.

This dataset was an initial test harness infrastructure test for the TrojAI program. It should not be used for research. Please use the more refined datasets generated for the other rounds. The data being generated and disseminated is training, validation, and test data used to construct trojan detection software solutions. This data, generated at NIST, consists of human level AIs trained to perform a variety of tasks (image classification, natural language processing, etc.).

SEDCORR is an open-source Python module designed to correct for the systematic energy deficits in atom probe mass spectra of electrically insulating samples. The assumption of the algorithm is that the mass spectrum for a dataset is conserved throughout the dataset and that any changes to the peak positions arise from an unknown slowly-fluctuating accelerating voltage. For computational speed, the unknown accelerating voltage is determined using a template matching FFT-based cross correlation method.

Python module "optbayesexpt" uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given a parametric model - analogous to a fitting function - Bayesian inference uses each measurement "data point" to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.