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Dimensionality reduction techniques are widely used for visualizing high-dimensional data in two dimensions. Existing methods are typically designed to preserve either local (e.g., $t$-SNE, UMAP) or global (e.g., MDS, PCA) structure of the…

Machine Learning · Computer Science 2026-02-02 Noël Kury , Dmitry Kobak , Sebastian Damrich

Dimension reduction (DR) techniques such as t-SNE, UMAP, and TriMAP have demonstrated impressive visualization performance on many real world datasets. One tension that has always faced these methods is the trade-off between preservation of…

Machine Learning · Computer Science 2021-08-27 Yingfan Wang , Haiyang Huang , Cynthia Rudin , Yaron Shaposhnik

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is…

The Information Dynamics Toolkit xl (IDTxl) is a comprehensive software package for efficient inference of networks and their node dynamics from multivariate time series data using information theory. IDTxl provides functionality to…

Large Language Models (LLMs) have recently demonstrated strong capabilities in tool use, yet progress in tool retrieval remains hindered by incomplete and heterogeneous tool documentation. To address this challenge, we introduce Tool-DE, a…

Information Retrieval · Computer Science 2025-10-28 Xuan Lu , Haohang Huang , Rui Meng , Yaohui Jin , Wenjun Zeng , Xiaoyu Shen

Linear dimensionality reduction methods are a cornerstone of analyzing high dimensional data, due to their simple geometric interpretations and typically attractive computational properties. These methods capture many data features of…

Machine Learning · Statistics 2016-03-22 John P. Cunningham , Zoubin Ghahramani

Building fair deep neural networks (DNNs) is a crucial step towards achieving trustworthy artificial intelligence. Delving into deeper factors that affect the fairness of DNNs is paramount and serves as the foundation for mitigating model…

Computer Vision and Pattern Recognition · Computer Science 2024-11-05 Yanbiao Ma , Licheng Jiao , Fang Liu , Lingling Li , Wenping Ma , Shuyuan Yang , Xu Liu , Puhua Chen

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely…

Robust estimation provides essential tools for analyzing data that contain outliers, ensuring that statistical models remain reliable even in the presence of some anomalous data. While robust methods have long been available in R, users of…

Computation · Statistics 2024-11-05 Sarah Leyder , Jakob Raymaekers , Peter J. Rousseeuw , Thomas Servotte , Tim Verdonck

SimOmics is an R package designed to generate realistic, multivariate, and multi-omics synthetic datasets. It is intended for use in benchmarking, method development, and reproducibility in bioinformatics, particularly in the context of…

Genomics · Quantitative Biology 2025-07-15 Kaitao Lai

Contemporary empirical applications frequently require flexible regression models for complex response types and large tabular or non-tabular, including image or text, data. Classical regression models either break down under the…

Computation · Statistics 2024-05-29 Lucas Kook , Philipp FM Baumann , Oliver Dürr , Beate Sick , David Rügamer

This article introduces the R package hermiter which facilitates estimation of univariate and bivariate probability density functions and cumulative distribution functions along with full quantile functions (univariate) and nonparametric…

Computation · Statistics 2023-07-04 Michael Stephanou , Melvin Varughese

In this short article I introduce the knotR package, which creates two dimensional knot diagrams optimized for visual appearance using the R programming language. The knotR package is a systematic R-centric suite of software for the…

Geometric Topology · Mathematics 2016-10-12 Robin K. S. Hankin

distr6 is an object-oriented (OO) probability distributions interface leveraging the extensibility and scalability of R6, and the speed and efficiency of Rcpp. Over 50 probability distributions are currently implemented in the package with…

Software Engineering · Computer Science 2021-03-23 Raphael Sonabend , Franz Kiraly

Dimensionality reduction (DR) techniques map high-dimensional data into lower-dimensional spaces. Yet, current DR techniques are not designed to explore semantic structure that is not directly available in the form of variables or class…

Machine Learning · Computer Science 2025-06-19 Artur André Oliveira , Mateus Espadoto , Roberto Hirata , Roberto M. Cesar , Alex C. Telea

Item response theory (IRT) models are a class of statistical models used to describe the response behaviors of individuals to a set of items having a certain number of options. They are adopted by researchers in social science, particularly…

Computation · Statistics 2014-04-16 Angelo Mazza , Antonio Punzo , Brian McGuire

BHAM is a freely avaible R pakcage that implments Bayesian hierarchical additive models for high-dimensional clinical and genomic data. The package includes functions that generalized additive model, and Cox additive model with the…

Computation · Statistics 2022-07-07 Boyi Guo , Nengjun Yi

Dimensionality reduction is an essential technique for multi-way large-scale data, i.e., tensor. Tensor ring (TR) decomposition has become popular due to its high representation ability and flexibility. However, the traditional TR…

Numerical Analysis · Mathematics 2024-12-20 Longhao Yuan , Chao Li , Jianting Cao , Qibin Zhao

The processing of Visually-Rich Documents (VRDs) is highly important in information extraction tasks associated with Document Intelligence. We introduce DI-Metrics, a Python library devoted to VRD model evaluation comprising text-based,…

Artificial Intelligence · Computer Science 2022-05-24 Jonathan DeGange , Swapnil Gupta , Zhuoyu Han , Krzysztof Wilkosz , Adam Karwan

In this paper we present GeoThinneR, an R package for efficient and flexible spatial thinning of species occurrence data. Spatial thinning is a widely used preprocessing step in species distribution modeling (SDM) that can help reduce…

Populations and Evolution · Quantitative Biology 2025-05-14 J. Mestre-Tomás