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The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

We study the task of differentially private clustering. For several basic clustering problems, including Euclidean DensestBall, 1-Cluster, k-means, and k-median, we give efficient differentially private algorithms that achieve essentially…

Machine Learning · Computer Science 2020-08-19 Badih Ghazi , Ravi Kumar , Pasin Manurangsi

Differential equations are fundamental to modeling dynamic systems in physics, engineering, biology, and economics. While analytical solutions are ideal, most real-world problems necessitate numerical approaches. This study conducts a…

Mathematical Software · Computer Science 2025-10-06 Arhonefe Joseph Ogethakpo , Ignatius Nkonyeasua Njoseh

The evaluation of clustering results is difficult, highly dependent on the evaluated data set and the perspective of the beholder. There are many different clustering quality measures, which try to provide a general measure to validate…

Machine Learning · Computer Science 2023-10-17 Lars Lenssen , Erich Schubert

An appropriate distance metric is crucial for categorical data clustering, as the distance between categorical data cannot be directly calculated. However, the distances between attribute values usually vary in different clusters induced by…

Machine Learning · Computer Science 2026-03-09 Taixi Chen , Yiu-ming Cheung , Yiqun Zhang

Computational materials science produces large quantities of data, both in terms of high-throughput calculations and individual studies. Extracting knowledge from this large and heterogeneous pool of data is challenging due to the wide…

Materials Science · Physics 2024-10-23 Martin Kuban , Santiago Rigamonti , Claudia Draxl

Clustering is an unsupervised technique of Data Mining. It means grouping similar objects together and separating the dissimilar ones. Each object in the data set is assigned a class label in the clustering process using a distance measure.…

Information Retrieval · Computer Science 2011-10-13 Parul Agarwal , M. Afshar Alam , Ranjit Biswas

Automatic Differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions.…

Chemical Physics · Physics 2020-06-23 Teresa Tamayo-Mendoza , Christoph Kreisbeck , Roland Lindh , Alán Aspuru-Guzik

Currently, Python is one of the most widely used languages in various application areas. However, it has limitations when it comes to optimizing and parallelizing applications due to the nature of its official CPython interpreter,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-24 Andrés Milla , Enzo Rucci

This paper presents a parallel adaptive clustering (PAC) algorithm to automatically classify data while simultaneously choosing a suitable number of classes. Clustering is an important tool for data analysis and understanding in a broad set…

Machine Learning · Computer Science 2021-04-07 Benjamin McLaughlin , Sung Ha Kang

Most anomaly detection systems output scores rather than calibrated decisions, leaving practitioners to choose thresholds heuristically and without clear statistical interpretation. Conformal anomaly detection addresses this limitation by…

Machine Learning · Statistics 2026-05-14 Oliver Hennhöfer , Maximilian Kirsch , Christine Preisach

The performance of individual evolutionary optimization algorithms is mostly measured in terms of statistics such as mean, median and standard deviation etc., computed over the best solutions obtained with few trails of the algorithm. To…

Neural and Evolutionary Computing · Computer Science 2022-12-02 Anupam Biswas

Automatic differentiation frameworks are optimized for exactly one thing: computing the average mini-batch gradient. Yet, other quantities such as the variance of the mini-batch gradients or many approximations to the Hessian can, in…

Machine Learning · Computer Science 2020-02-18 Felix Dangel , Frederik Kunstner , Philipp Hennig

Automatic differentiation (AD) is a technique for computing the derivative of a function represented by a program. This technique is considered as the de-facto standard for computing the differentiation in many machine learning and…

Programming Languages · Computer Science 2022-12-21 Amir Shaikhha , Mathieu Huot , Shabnam Ghasemirad , Andrew Fitzgibbon , Simon Peyton Jones , Dimitrios Vytiniotis

We present a new software pipeline -- PyMorph -- for automated estimation of structural parameters of galaxies. Both parametric fits through a two dimensional bulge disk decomposition as well as structural parameter measurements like…

Instrumentation and Methods for Astrophysics · Physics 2015-05-19 Vinu Vikram , Yogesh Wadadekar , Ajit K. Kembhavi , G. V. Vijayagovindan

We present a Python module named PyCheb, to solve the ordinary differential equations by using spectral collocation method. PyCheb incorporates discretization using Chebyshev points, barycentric interpolation and iterate methods. With this…

Mathematical Software · Computer Science 2016-11-07 Shaohui Liu , Tianshi Wang , Youran Zhang

This research introduces a new strategy in cluster ensemble selection by using Independency and Diversity metrics. In recent years, Diversity and Quality, which are two metrics in evaluation procedure, have been used for selecting basic…

Machine Learning · Statistics 2016-10-11 Muhammad Yousefnezhad , Ali Reihanian , Daoqiang Zhang , Behrouz Minaei-Bidgoli

PyGALAX is a Python package for geospatial analysis that integrates automated machine learning (AutoML) and explainable artificial intelligence (XAI) techniques to analyze spatial heterogeneity in both regression and classification tasks.…

Machine Learning · Computer Science 2026-02-03 Pingping Wang , Yihong Yuan , Lingcheng Li , Yongmei Lu

Advancements in tools like Shapely 2.0 and Triton can significantly improve the efficiency of spatial similarity computations by enabling faster and more scalable geometric operations. However, for extremely large datasets, these…

Machine Learning · Computer Science 2025-09-30 John N. Daras

Different from sequential programs, parallel programs possess their own characteristics which are difficult to analyze in the multi-process or multi-thread environment. This paper presents an innovative method to automatically analyze the…

Distributed, Parallel, and Cluster Computing · Computer Science 2009-06-09 Xu Liu , Jianfeng Zhan , Bibo Tu , Ming Zou , Dan Meng