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partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…

Computational Physics · Physics 2021-11-22 Joris Paret , Daniele Coslovich

Convex clustering is a popular clustering model without requiring the number of clusters as prior knowledge. It can generate a clustering path by continuously solving the model with a sequence of regularization parameter values. This paper…

Optimization and Control · Mathematics 2025-01-28 Hongfei Wu , Yancheng Yuan

The last improvements in programming languages, programming models, and frameworks have focused on abstracting the users from many programming issues. Among others, recent programming frameworks include simpler syntax, automatic memory…

Programming Languages · Computer Science 2018-10-29 Cristian Ramon-Cortes , Ramon Amela , Jorge Ejarque , Philippe Clauss , Rosa M. Badia

Selecting the fastest algorithm for a specific signal/image processing task is a challenging question. We propose an approach based on the Performance Estimation Problem framework that numerically and automatically computes the worst-case…

Optimization and Control · Mathematics 2024-03-18 Nizar Bousselmi , Nelly Pustelnik , Julien M. Hendrickx , François Glineur

We propose a simple and efficient clustering method for high-dimensional data with a large number of clusters. Our algorithm achieves high-performance by evaluating distances of datapoints with a subset of the cluster centres. Our…

Machine Learning · Computer Science 2022-03-30 Georgios Exarchakis , Omar Oubari , Gregor Lenz

PYROBOCOP is a Python-based package for control, optimization and estimation of robotic systems described by nonlinear Differential Algebraic Equations (DAEs). In particular, the package can handle systems with contacts that are described…

Robotics · Computer Science 2022-03-21 Arvind Raghunathan , Devesh K. Jha , Diego Romeres

Iterative algorithms, like gradient descent, are common tools for solving a variety of problems, such as model fitting. For this reason, there is interest in creating differentially private versions of them. However, their conversion to…

Machine Learning · Computer Science 2018-08-30 Jaewoo Lee , Daniel Kifer

The performance of spectral clustering heavily relies on the quality of affinity matrix. A variety of affinity-matrix-construction (AMC) methods have been proposed but they have hyperparameters to determine beforehand, which requires strong…

Machine Learning · Computer Science 2023-02-07 Jicong Fan , Yiheng Tu , Zhao Zhang , Mingbo Zhao , Haijun Zhang

Object detectors often perform poorly on data that differs from their training set. Domain adaptive object detection (DAOD) methods have recently demonstrated strong results on addressing this challenge. Unfortunately, we identify systemic…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Justin Kay , Timm Haucke , Suzanne Stathatos , Siqi Deng , Erik Young , Pietro Perona , Sara Beery , Grant Van Horn

A general scheme for divisive hierarchical clustering algorithms is proposed. It is made of three main steps : first a splitting procedure for the subdivision of clusters into two subclusters, second a local evaluation of the bipartitions…

Data Structures and Algorithms · Computer Science 2018-09-07 Maurice Roux

Gradient preconditioning is a key technique to integrate the second-order information into gradients for improving and extending gradient-based learning algorithms. In deep learning, stochasticity, nonconvexity, and high dimensionality lead…

Machine Learning · Computer Science 2023-05-09 Kazuki Osawa , Satoki Ishikawa , Rio Yokota , Shigang Li , Torsten Hoefler

Desktop GIS applications, such as ArcGIS and QGIS, provide tools essential for conducting suitability analysis, an activity that is central in formulating a land-use plan. But, when it comes to building complicated land-use suitability…

Computers and Society · Computer Science 2021-07-06 Changjie Chen , Jasmeet Judge , David Hulse

We introduce the ParClusterers Benchmark Suite (PCBS) -- a collection of highly scalable parallel graph clustering algorithms and benchmarking tools that streamline comparing different graph clustering algorithms and implementations. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-18 Shangdi Yu , Jessica Shi , Jamison Meindl , David Eisenstat , Xiaoen Ju , Sasan Tavakkol , Laxman Dhulipala , Jakub Łącki , Vahab Mirrokni , Julian Shun

In this work, we introduce new batching algorithms to effectively handle large contractions encountered in coupled-cluster singles and doubles (CCSD) implementations in Python on the Video Random Access Memory (VRAM) of graphical processing…

We present spd-metrics-id, a Python package for computing distances and divergences between symmetric positive-definite (SPD) matrices. Unlike traditional toolkits that focus on specific applications, spd-metrics-id provides a unified,…

Computation · Statistics 2025-10-07 Kaosar Uddin

Artificial Intelligence is set to revolutionize multiple fields in the coming years. One subset of AI, machine learning, shows immense potential for application in a diverse set of medical specialties, including diagnostic pathology. In…

This paper considers the problem of evaluating clusterings of very large populations of items. Given two clusterings, namely a Baseline clustering and an Experiment clustering, the tasks are twofold: 1) characterize their differences, and…

Information Retrieval · Computer Science 2024-08-01 Stephan van Staden , Alexander Grubb

This paper describes the algorithms, features and implementation of PyDEC, a Python library for computations related to the discretization of exterior calculus. PyDEC facilitates inquiry into both physical problems on manifolds as well as…

Numerical Analysis · Computer Science 2012-02-28 Nathan Bell , Anil N. Hirani

Popular clustering algorithms based on usual distance functions (e.g., Euclidean distance) often suffer in high dimension, low sample size (HDLSS) situations, where concentration of pairwise distances has adverse effects on their…

Methodology · Statistics 2019-05-03 Soham Sarkar , Anil K. Ghosh

The clustering of a data set is one of the core tasks in data analytics. Many clustering algorithms exhibit a strong contrast between a favorable performance in practice and bad theoretical worst-cases. Prime examples are least-squares…

Optimization and Control · Mathematics 2018-09-05 S. Borgwardt , F. Happach