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Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…

Machine Learning · Computer Science 2024-05-29 Jiantong Jiang , Zeyi Wen , Peiyu Yang , Atif Mansoor , Ajmal Mian

We have developed MGGPOD, a user-friendly suite of Monte Carlo codes built around the widely used GEANT (Version 3.21) package. The MGGPOD Monte Carlo suite and documentation are publicly available for download. MGGPOD is an ideal tool for…

Astrophysics · Physics 2007-05-23 G. Weidenspointner , M. Harris , C. Ferguson , S. Sturner , B. Teegarden , C. Wunderer

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…

Instrumentation and Methods for Astrophysics · Physics 2012-06-29 Peter K. G. Williams , Casey J. Law , Geoffrey C. Bower

MDMP is a new parallel programming approach that aims to provide users with an easy way to add parallelism to programs, optimise the message passing costs of traditional scientific simulation algorithms, and enable existing MPI-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-04-30 Adrian Jackson , Par Strand

Integrated information theory provides a mathematical framework to fully characterize the cause-effect structure of a physical system. Here, we introduce PyPhi, a Python software package that implements this framework for causal analysis…

Neurons and Cognition · Quantitative Biology 2018-08-16 William G. P. Mayner , William Marshall , Larissa Albantakis , Graham Findlay , Robert Marchman , Giulio Tononi

Model-based optimization approaches for monitoring and control, such as model predictive control and optimal state and parameter estimation, have been used for decades in many engineering applications. Models describing the dynamics,…

Systems and Control · Electrical Eng. & Systems 2022-03-31 Johannes Pohlodek , Bruno Morabito , Christian Schlauch , Pablo Zometa , Rolf Findeisen

Galaxy morphological classification is a fundamental aspect of galaxy formation and evolution studies. Various machine learning tools have been developed for automated pipeline analysis of large-scale surveys, enabling a fast search for…

Instrumentation and Methods for Astrophysics · Physics 2022-06-15 Yash Gondhalekar , Rafael S. de Souza , Ana L. Chies-Santos

Context: Experiment replications play a central role in the scientific method. Although software engineering experimentation has matured a great deal, the number of experiment replications is still relatively small. Software engineering…

Software Engineering · Computer Science 2024-02-13 Martín Solari , Sira Vegas , Natalia Juristo

Sparse linear algebra is a cornerstone of many scientific computing and machine learning applications. Python has become a popular choice for these applications due to its simplicity and ease of use. Yet high performance sparse kernels in…

Mathematical Software · Computer Science 2025-10-10 Keshvi Tuteja , Gregor Olenik , Roman Mishchuk , Yu-Hsiang Tsai , Markus Götz , Achim Streit , Hartwig Anzt , Charlotte Debus

Machine-learning datasets are typically characterized by measuring their size and class balance. However, there exists a richer and potentially more useful set of measures, termed S-entropy (similarity-sensitive entropy), that incorporate…

Binary code is pervasive, and binary analysis is a key task in reverse engineering, malware classification, and vulnerability discovery. Unfortunately, while there exist large corpora of malicious binaries, obtaining high-quality corpora of…

Cryptography and Security · Computer Science 2024-11-05 Chang Liu , Rebecca Saul , Yihao Sun , Edward Raff , Maya Fuchs , Townsend Southard Pantano , James Holt , Kristopher Micinski

While deep learning has celebrated many successes, its results often hinge on the meticulous selection of hyperparameters (HPs). However, the time-consuming nature of deep learning training makes HP optimization (HPO) a costly endeavor,…

Artificial Intelligence · Computer Science 2024-08-20 Shuhei Watanabe , Neeratyoy Mallik , Edward Bergman , Frank Hutter

Existing Python libraries and tools lack the ability to efficiently compute statistical test results for large datasets in the presence of missing values. This presents an issue as soon as constraints on runtime and memory availability…

Mathematical Software · Computer Science 2025-05-02 Fabian Woller , Lis Arend , Christian Fuchsberger , Markus List , David B. Blumenthal

Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…

Software Engineering · Computer Science 2025-07-09 S. Lee , C. Myers , A. Yang , T. Zhang , S. J. L. Billinge

In this technical report, we describe a new version of SimpleSBML which provides an easier to use interface to python-libSBML allowing users of Python to more easily construct, edit, and inspect SBML based models. The most commonly used…

Molecular Networks · Quantitative Biology 2021-08-20 Herbert M Sauro

simpcomp is an extension (a so called package) to GAP, the well known system for computational discrete algebra. The package enables the user to compute numerous properties of (abstract) simplicial complexes, provides functions to construct…

Combinatorics · Mathematics 2019-10-24 Felix Effenberger , Jonathan Spreer

This demo paper introduces partitura, a Python package for handling symbolic musical information. The principal aim of this package is to handle richly structured musical information as conveyed by modern staff music notation. It provides a…

Sound · Computer Science 2022-02-01 Maarten Grachten , Carlos Cancino-Chacón , Thassilo Gadermaier

PHCpack is a large software package for solving systems of polynomial equations. The executable phc is menu driven and file oriented. This paper describes the development of phcpy, a Python interface to PHCpack. Instead of navigating…

Mathematical Software · Computer Science 2014-04-30 Jan Verschelde

Combinatorial experiments involve synthesis of sample libraries with lateral composition gradients requiring spatially-resolved characterization of structure and properties. Due to maturation of combinatorial methods and their successful…

Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. However, most optimization…

Neural and Evolutionary Computing · Computer Science 2022-04-13 Julian Blank , Kalyanmoy Deb