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A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…

Today, artificial intelligence systems driven by machine learning algorithms can be in a position to take important, and sometimes legally binding, decisions about our everyday lives. In many cases, however, these systems and their actions…

Machine Learning · Computer Science 2022-08-26 Kacper Sokol , Raul Santos-Rodriguez , Peter Flach

Materials science is undergoing profound changes due to advances in characterization instrumentation that have resulted in an explosion of data in terms of volume, velocity, variety and complexity. Harnessing these data for scientific…

In the following work, we described the problems of porosity analysis of cement materials using backscattered electron images. We noticed that despite its great utility, the overflow porosity segmentation method allows for the introduction…

Applied Physics · Physics 2023-01-25 Andrzej M. Żak , Anna Wieczorek , Agnieszka Chowaniec , Lukasz Sadowski

Modern radio interferometric arrays offer high sensitivity, wide fields of view, and broad frequency coverage, but also pose significant data calibration challenges. Standard direction-independent calibration is insufficient to correct…

Instrumentation and Methods for Astrophysics · Physics 2026-05-18 Hao Peng , Fangxia An , Yuheng Zhang , Srikrishna Sekhar , Russ Taylor , Xianzhong Zheng , Yongming Liang

Archaeological pottery documentation and study represents a crucial but time-consuming aspect of archaeology. While recent years have seen advances in digital documentation methods, vast amounts of legacy data remain locked in traditional…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Lorenzo Cardarelli

The Kieker observability framework is a tool that provides users with the means to design a custom observability pipeline for their application. Originally tailored for Java, supporting Python with Kieker is worthwhile. Python's popularity…

Software Engineering · Computer Science 2025-08-06 Daphné Larrivain , Shinhyung Yang , Wilhelm Hasselbring

System-level resource monitoring with both precision and efficiency is a continuous challenge. We introduce eHashPipe, a lightweight, real-time resource observability system utilizing eBPF and the HashPipe sketching algorithm. eHashPipe…

Performance · Computer Science 2025-09-15 Yuanjun Dai , Qingzhe Guo , Xiangren Wang

In light of the growing interest in type inference research for Python, both researchers and practitioners require a standardized process to assess the performance of various type inference techniques. This paper introduces TypeEvalPy, a…

Software Engineering · Computer Science 2024-01-03 Ashwin Prasad Shivarpatna Venkatesh , Samkutty Sabu , Jiawei Wang , Amir M. Mir , Li Li , Eric Bodden

Materials with an allotropic phase transformation can result in the formation of microstructures where grains have orientation relationships (ORs) determined by the transformation history. These microstructures influence the final material…

Materials Science · Physics 2021-10-01 Ruth Birch , Thomas Benjamin Britton

We present PyMoosh, a Python-based simulation library designed to provide a comprehensive set of numerical tools allowing to compute essentially all optical characteristics of multilayered structures, ranging from reflectance and…

We present a Wikidata-based framework, called KIF, for virtually integrating heterogeneous knowledge sources. KIF is written in Python and is released as open-source. It leverages Wikidata's data model and vocabulary plus user-defined…

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

Machine Learning · Computer Science 2025-11-26 Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

There is a need for open-source libraries in emission tomography that (i) use modern and popular backend code to encourage community contributions and (ii) offer support for the multitude of reconstruction techniques available in recent…

Pattern matching is a powerful tool for symbolic computations. Applications include term rewriting systems, as well as the manipulation of symbolic expressions, abstract syntax trees, and XML and JSON data. It also allows for an intuitive…

Programming Languages · Computer Science 2017-10-09 Manuel Krebber , Henrik Barthels , Paolo Bientinesi

In the field of transmission electron microscopy, data interpretation often lags behind acquisition methods, as image processing methods often have to be manually tailored to individual datasets. Machine learning offers a promising approach…

Image and Video Processing · Electrical Eng. & Systems 2021-07-07 C. K. Groschner , Christina Choi , M. C. Scott

Despite advancements in electron backscatter diffraction (EBSD) detector speeds, the acquisition rates of 4-Dimensional (4D) EBSD data, i.e., a collection of 2-dimensional (2D) diffraction maps for every position of a convergent electron…

Signal Processing · Electrical Eng. & Systems 2023-08-02 Zoë Broad , Daniel Nicholls , Jack Wells , Alex W. Robinson , Amirafshar Moshtaghpour , Robert Masters , Louise Hughes , Nigel D. Browning

We use ultrasensitive electron backscatter diffraction (EBSD) to map the local crystal orientations, grains, and grain boundaries in CH3NH3PbI3 (MAPI) perovskite thin films. Although the true grain structure is broadly consistent with the…

There are numerous approaches to building analysis applications across the high-energy physics community. Among them are Python-based, or at least Python-driven, analysis workflows. We aim to ease the adoption of a Python-based analysis…

Computational Physics · Physics 2018-04-25 David Lange

Correlated analysis of (sub)grains and particles in alloys is important to understand transformation processes and control material properties. A multimodal data fusion workflow directly combining subgrain data from electron backscatter…

Materials Science · Physics 2023-02-17 Håkon Wiik Ånes , Antonius T. J. van Helvoort , Knut Marthinsen
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