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QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been…
Rotated object detection aims to identify and locate objects in images with arbitrary orientation. In this scenario, the oriented directions of objects vary considerably across different images, while multiple orientations of objects exist…
We introduce ALT, an open-source Python package created for efficient and accurate time series classification (TSC). The package implements the adaptive law-based transformation (ALT) algorithm, which transforms raw time series data into a…
Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…
The Abstraction and Reasoning Corpus (ARC) is designed to assess generalization beyond pattern matching, requiring models to infer symbolic rules from very few examples. In this work, we present a transformer-based system that advances ARC…
Numerical simulations of Einstein's field equations provide unique insights into the physics of compact objects moving at relativistic speeds, and which are driven by strong gravitational interactions. Numerical relativity has played a key…
pynucastro is a python library that provides visualization and analyze techniques to classify, construct, and evaluate nuclear reaction rates and networks. It provides tools that allow users to determine the importance of each rate in the…
We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…
We present release 1.3 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum…
The development of the relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function are included to all orders of perturbation theory led to many important results for study…
Nowadays, academic research relies not only on sharing with the academic community the scientific results obtained by research groups while studying certain phenomena, but also on sharing computer codes developed within the community. In…
We present a new open source software for the integration of the radial Dirac equation developed specifically with muonic atoms in mind. The software, called mudirac, is written in C++ and can be used to predict frequencies and…
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,…
Previous studies have shown that automated text-mining tools are becoming increasingly important for successfully unlocking variant information in scientific literature at large scale. Despite multiple attempts in the past, existing tools…
The Abstraction and Reasoning Corpus (ARC) evaluates general reasoning capabilities that are difficult for both machine learning models and combinatorial search methods. We propose a neuro-symbolic approach that combines a transformer for…
This document contains the mathematical introduction to RORPack - a Python software library for robust output tracking and disturbance rejection for linear PDE systems. The RORPack library is open-source and freely available at…
Arb is a C library for arbitrary-precision interval arithmetic using the midpoint-radius representation, also known as ball arithmetic. It supports real and complex numbers, polynomials, power series, matrices, and evaluation of many…
We propose hybrid digital-analog learning algorithms on Rydberg atom arrays, combining the potentially practical utility and near-term realizability of quantum learning with the rapidly scaling architectures of neutral atoms. Our…
We present a new question set, text corpus, and baselines assembled to encourage AI research in advanced question answering. Together, these constitute the AI2 Reasoning Challenge (ARC), which requires far more powerful knowledge and…
ORBKIT is a toolbox for post-processing electronic structure calculations based on a highly modular and portable Python architecture. The program allows computing a multitude of electronic properties of molecular systems on arbitrary…