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As a result of recent advancements in generative AI, the field of data science is prone to various changes. The way practitioners construct their data science workflows is now irreversibly shaped by recent advancements, particularly by…

Machine Learning · Computer Science 2026-03-03 Ozan Evkaya , Miguel de Carvalho

Causal discovery aims at revealing causal relations from observational data, which is a fundamental task in science and engineering. We describe $\textit{causal-learn}$, an open-source Python library for causal discovery. This library…

Machine Learning · Computer Science 2024-04-12 Yujia Zheng , Biwei Huang , Wei Chen , Joseph Ramsey , Mingming Gong , Ruichu Cai , Shohei Shimizu , Peter Spirtes , Kun Zhang

We introduce NetworKit, an open-source software package for analyzing the structure of large complex networks. Appropriate algorithmic solutions are required to handle increasingly common large graph data sets containing up to billions of…

Social and Information Networks · Computer Science 2015-11-16 Christian L. Staudt , Aleksejs Sazonovs , Henning Meyerhenke

A Geant4-based Python/C++ simulation and coding framework, which has been developed and used in order to aid the R&D efforts for thermal neutron detectors at neutron scattering facilities, is described. Built upon configurable geometry and…

Instrumentation and Detectors · Physics 2014-07-24 Thomas Kittelmann , Irina Stefanescu , Kalliopi Kanaki , Mirko Boin , Richard Hall-Wilton , Karl Zeitelhack

Constraint-based causal discovery relies on numerous conditional independence tests (CITs), but its practical applicability is severely constrained by the prohibitive computational cost, especially as CITs themselves have high time…

Machine Learning · Computer Science 2026-03-02 Zhengkang Guan , Kun Kuang

Be it for a malicious or legitimate purpose, packing, a transformation that consists in applying various operations like compression or encryption to a binary file, i.e. for making reverse engineering harder or obfuscating code, is widely…

Cryptography and Security · Computer Science 2023-02-21 Alexandre D'Hondt , Charles-Henry Bertrand Van Ouytsel , Axel Legay

We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of…

Mesoscale and Nanoscale Physics · Physics 2020-03-16 Simão M. João , Miša Anđelković , Lucian Covaci , Tatiana Rappoport , João M. V. P. Lopes , Aires Ferreira

Weakly Interacting Massive Particles (WIMPs) are candidates for non-baryonic Dark Matter. WIMPs are supposed to interact with baryonic matter via scattering off nuclei producing a nuclear recoil with energies up to a few 10 keV with a very…

An open-source and modular Python package, Catalight, is developed and demonstrated to automate (photo)catalysis measurements. (Photo)catalysis experiments require studying several parameters to evaluate performance, including temperature,…

Chemical Physics · Physics 2025-04-11 B. B. Bourgeois , A. X. Dai , C. C. Carlin , L. Yuan , A. Al-Zubeidi , W-H. Cheng , D. F. Swearer , J. A. Dionne

Predictive systems, in particular machine learning algorithms, can take important, and sometimes legally binding, decisions about our everyday life. In most cases, however, these systems and decisions are neither regulated nor certified.…

Machine Learning · Computer Science 2022-09-09 Kacper Sokol , Alexander Hepburn , Rafael Poyiadzi , Matthew Clifford , Raul Santos-Rodriguez , Peter Flach

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical…

Broadly defined as the Internet of Things (IoT), the growth of commodity devices that integrate physical processes with digital connectivity has had profound effects on society--smart homes, personal monitoring devices, enhanced…

Cryptography and Security · Computer Science 2018-02-26 Z. Berkay Celik , Leonardo Babun , Amit K. Sikder , Hidayet Aksu , Gang Tan , Patrick McDaniel , A. Selcuk Uluagac

The testing and quality assurance of cryogenic superconducting detectors is a time- and labor-intensive process. As experiments deploy increasingly larger arrays of detectors, new methods are needed for performing this testing quickly.…

Instrumentation and Methods for Astrophysics · Physics 2025-05-27 K. R. Ferguson , A. N. Bender , N. Whitehorn , P. S. Barry , T. W. Cecil , K. R. Dibert , E. S. Martsen

Particle tracking is commonly used to study time-dependent behavior in many different types of physical and chemical systems involving constituents that span many length scales, including atoms, molecules, nanoparticles, granular particles,…

Computational Physics · Physics 2024-08-06 Brandon L. Butler , Domagoj Fijan , Sharon C. Glotzer

Together with the recent CLIC detector model CLICdet a new software suite was introduced for the simulation and reconstruction of events in this detector. This note gives a brief introduction to CLICdet and describes the CLIC experimental…

The most common method to auto-grade a student's submission in a CS1 or a CS2 course is to run it against a pre-defined test suite and compare the results against reference results. However, this technique cannot be used if the correctness…

Artificial Intelligence · Computer Science 2024-10-22 Aaryen Mehta , Gagan Aryan

Cryo-electron tomography (cryo-ET) enables in situ visualization of macromolecular structures, where subtomogram analysis tasks such as classification, alignment, and averaging are critical for structural determination. However, effective…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Runmin Jiang , Wanyue Feng , Yuntian Yang , Shriya Pingulkar , Hong Wang , Xi Xiao , Xiaoyu Cao , Genpei Zhang , Xiao Wang , Xiaolong Wu , Tianyang Wang , Yang Liu , Xingjian Li , Min Xu

Repeatable and reliable site-specific preparation of specimens for atom probe tomography (APT) at cryogenic temperatures has proven challenging. A generalized workflow is required for cryogenic-specimen preparation including lift-out via…

Coherent elastic neutrino-nucleus scattering (CE$\nu$NS) and other rare-event physics searches, like dark matter detection, have been especially furthered by increasing sensitivity to low-energy particle interactions. Experiments using…

Instrumentation and Detectors · Physics 2023-10-09 Charles Mark Lewis

Cyber threat intelligence (CTI) is being used to search for indicators of attacks that might have compromised an enterprise network for a long time without being discovered. To have a more effective analysis, CTI open standards have…

Cryptography and Security · Computer Science 2019-10-02 Sadegh M. Milajerdi , Birhanu Eshete , Rigel Gjomemo , V. N. Venkatakrishnan