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This paper introduces a new Python package specifically designed to address calibration of probabilistic classifiers under dataset shift. The method is demonstrated in binary and multi-class settings and its effectiveness is measured…

Machine Learning · Computer Science 2025-09-16 Ivan Petej

We present QUBOLite, a Python package for the creation, manipulation, analysis, and solution of Quadratic Unconstrained Binary Optimization (QUBO) instances. Built as a thin wrapper around NumPy arrays, QUBOLite combines efficient numerical…

Mathematical Software · Computer Science 2025-09-29 Sascha Mücke , Thore Gerlach , Nico Piatkowski , Lukas Theißinger

SHallow REcurrent Decoders (SHRED) provide a deep learning strategy for modeling high-dimensional dynamical systems and/or spatiotemporal data from dynamical system snapshot observations. PySHRED is a Python package that implements SHRED…

Machine Learning · Computer Science 2025-07-29 David Ye , Jan Williams , Mars Gao , Stefano Riva , Matteo Tomasetto , David Zoro , J. Nathan Kutz

We propose a hierarchical splitting approach to differential equations that provides a design principle for constructing splitting methods for $N$-split systems by iteratively applying splitting methods for two-split systems. We analyze the…

Numerical Analysis · Mathematics 2026-01-21 Kevin Schäfers , Michael Günther

In this paper, a new python package (optipoly) is described that solves box-constrained optimization problem over multivariate polynomial cost functions. The principle of the algorithm is described before its performance is compared to…

Computational Engineering, Finance, and Science · Computer Science 2025-03-27 Mazen Alamir

Data frames in scripting languages are essential abstractions for processing structured data. However, existing data frame solutions are either not distributed (e.g., Pandas in Python) and therefore have limited scalability, or they are not…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-11 Ehsan Totoni , Wajih Ul Hassan , Todd A. Anderson , Tatiana Shpeisman

Machine learning is an important tool for analyzing high-dimension hyperspectral data; however, existing software solutions are either closed-source or inextensible research products. In this paper, we present cuvis.ai, an open-source and…

Machine Learning · Computer Science 2024-11-19 Nathaniel Hanson , Philip Manke , Simon Birkholz , Maximilian Mühlbauer , Rene Heine , Arnd Brandes

An efficient method for obtaining low-density hyperplane separators in the unsupervised context is proposed. Low density separators can be used to obtain a partition of a set of data based on their allocations to the different sides of the…

Machine Learning · Statistics 2021-08-10 David P. Hofmeyr

Almost all applications stop scaling at some point; those that don't are seldom performant when considering time to solution on anything but aspirational/unicorn resources. Recognizing these tradeoffs as well as greater user functionality…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-28 Stephen Hudson , Jeffrey Larson , John-Luke Navarro , Stefan M. Wild

The explosive growth of complex datasets across various modalities necessitates advanced analytical tools that not only group data effectively but also provide human-understandable insights into the discovered structures. We introduce…

Machine Learning · Computer Science 2025-09-04 Gabor Petnehazi , Bernadett Aradi

Hierarchical clustering is a stronger extension of one of today's most influential unsupervised learning methods: clustering. The goal of this method is to create a hierarchy of clusters, thus constructing cluster evolutionary history and…

Data Structures and Algorithms · Computer Science 2021-01-14 MohammadTaghi Hajiaghayi , Marina Knittel

This paper presents Deepchecks, a Python library for comprehensively validating machine learning models and data. Our goal is to provide an easy-to-use library comprising of many checks related to various types of issues, such as model…

Clustering is an essential technique for discovering patterns in data. The steady increase in amount and complexity of data over the years led to improvements and development of new clustering algorithms. However, algorithms that can…

Machine Learning · Statistics 2021-03-03 Shu Wang , Jonathan G. Yabes , Chung-Chou H. Chang

Literate programming - the bringing together of program code and natural language narratives - has become a ubiquitous approach in the realm of data science. This methodology is appealing as well for the domain of Density Functional Theory…

Clustering techniques are very attractive for extracting and identifying patterns in datasets. However, their application to very large spatial datasets presents numerous challenges such as high-dimensionality data, heterogeneity, and high…

Databases · Computer Science 2018-02-27 Malika Bendechache , Nhien-An Le-Khac , M-Tahar Kechadi

Clustering is a fundamental analysis tool aiming at classifying data points into groups based on their similarity or distance. It has found successful applications in all natural and social sciences, including biology, physics, economics,…

Information Retrieval · Computer Science 2021-02-24 Wen-Bo Xie , Yan-Li Lee , Cong Wang , Duan-Bing Chen , Tao Zhou

Summary Brain Predictability toolbox (BPt) represents a unified framework of machine learning (ML) tools designed to work with both tabulated data (in particular brain, psychiatric, behavioral, and physiological variables) and neuroimaging…

Machine Learning · Computer Science 2020-11-04 Sage Hahn , Dekang Yuan , Wesley Thompson , Max M Owens , Nicholas Allgaier , Hugh Garavan

A hierarchical scheme for clustering data is presented which applies to spaces with a high number of dimension ($N_{_{D}}>3$). The data set is first reduced to a smaller set of partitions (multi-dimensional bins). Multiple clustering…

Data Analysis, Statistics and Probability · Physics 2017-10-16 Kevin McIlhany , Stephen Wiggins

It is a high-quality algorithm for hierarchical clustering of large software source code. This effectively allows to break the complexity of tens of millions lines of source code, so that a human software engineer can comprehend a software…

Artificial Intelligence · Computer Science 2012-07-05 Sarge Rogatch

Clustering is a powerful tool in data analysis, but it is often difficult to find a grouping that aligns with a user's needs. To address this, several methods incorporate constraints obtained from users into clustering algorithms, but…

Machine Learning · Computer Science 2016-04-28 Sharad Vikram , Sanjoy Dasgupta