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We introduce the R package ContaminatedMixt, conceived to disseminate the use of mixtures of multivariate contaminated normal distributions as a tool for robust clustering and classification under the common assumption of elliptically…

Computation · Statistics 2016-06-14 Antonio Punzo , Angelo Mazza , Paul D. McNicholas

Building custom data analysis platforms traditionally requires extensive software engineering expertise, limiting accessibility for many researchers. Here, I demonstrate that modern large language models (LLMs) and autonomous coding agents…

Other Quantitative Biology · Quantitative Biology 2025-10-14 Jesse G. Meyer

Evaluating forecasts is essential to understand and improve forecasting and make forecasts useful to decision makers. A variety of R packages provide a broad variety of scoring rules, visualisations and diagnostic tools. One particular…

Methodology · Statistics 2024-11-04 Nikos I. Bosse , Hugo Gruson , Anne Cori , Edwin van Leeuwen , Sebastian Funk , Sam Abbott

${\tt simwave}$ is an open-source Python package to perform wave simulations in 2D or 3D domains. It solves the constant and variable density acoustic wave equation with the finite difference method and has support for domain truncation…

A software package has been developed to bridge the R analysis model with the conceptual analysis environment typical of radiation physics experiments. The new package has been used in the context of a project for the validation of…

Computational Physics · Physics 2013-11-25 Andreas Pfeiffer , Maria Grazia Pia

Decision making in uncertain scenarios is an ubiquitous challenge in real world systems. Tools to deal with this challenge include simulations to gather information and statistical emulation to quantify uncertainty. The machine learning…

Machine Learning · Computer Science 2021-10-27 Andrei Paleyes , Mark Pullin , Maren Mahsereci , Cliff McCollum , Neil D. Lawrence , Javier Gonzalez

In context of highly complex energy system experiments, sensitivity analysis is gaining more and more importance to investigate the effects changing parameterization has on the outcome. Thus, it is crucial how to design an experiment to…

Computational Engineering, Finance, and Science · Computer Science 2024-10-23 Jan Sören Schwarz , Leonard Enrique Ramos Perez , Minh Cong Pham , Kai Heussen , Quoc Tuan Tran

Background: Current nomogram can only be created for regression algorithm. Providing nomogram for any machine learning (ML) algorithms may accelerate model deployment in clinical settings or improve model availability. We developed an R…

Machine Learning · Computer Science 2025-01-13 Herdiantri Sufriyana , Emily Chia-Yu Su

SWiM is a semantic wiki for collaboratively building, editing and browsing mathematical knowledge represented in the domain-specific structural semantic markup language OMDoc. It motivates users to contribute to collections of mathematical…

Digital Libraries · Computer Science 2010-03-29 Christoph Lange

Natural microbial communities contain hundreds to thousands of interacting species. For this reason, computational simulations are playing an increasingly important role in microbial ecology. In this manuscript, we present a new…

Populations and Evolution · Quantitative Biology 2020-07-01 Robert Marsland , Wenping Cui , Joshua Goldford , Pankaj Mehta

A growing body of research runs human subject evaluations to study whether providing users with explanations of machine learning models can help them with practical real-world use cases. However, running user studies is challenging and…

Human-Computer Interaction · Computer Science 2022-08-23 Valerie Chen , Nari Johnson , Nicholay Topin , Gregory Plumb , Ameet Talwalkar

Traditional AI-planning methods for task planning in robotics require a symbolically encoded domain description. While powerful in well-defined scenarios, as well as human-interpretable, setting this up requires substantial effort.…

Robotics · Computer Science 2025-02-21 Shijia Li , Tomas Kulvicius , Minija Tamosiunaite , Florentin Wörgötter

Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…

Materials Science · Physics 2024-11-28 Y. -C. Hu , J. Tian

This paper presents catsim, the first package written in the Python language specialized in computerized adaptive tests and the logistical models of Item Response Theory. catsim provides functions for generating item and examinee…

Applications · Statistics 2018-07-23 Douglas De Rizzo Meneghetti , Plinio Thomaz Aquino Junior

OPTICS is a density-based clustering algorithm that performs well in a wide variety of applications. For a set of input objects, the algorithm creates a so-called reachability plot that can be either used to produce cluster membership…

Quantitative Methods · Quantitative Biology 2013-09-10 Gabor Ivan , Vince Grolmusz

SiMRX is a MRX simulation toolbox written in MATLAB for simulation of realistic 2D and 3D Magnetorelaxometry (MRX) setups, including coils, sensors and activation patterns. MRX is a new modality that uses magnetic nanoparticles (MNP) as…

Computational Engineering, Finance, and Science · Computer Science 2021-10-19 Lea Föcke

Benchmarking, which involves collecting reference datasets and demonstrating method performances, is a requirement for the development of new computational tools, but also becomes a domain of its own to achieve neutral comparisons of…

Other Quantitative Biology · Quantitative Biology 2025-07-24 Izaskun Mallona , Charlotte Soneson , Ben Carrillo , Almut Luetge , Daniel Incicau , Reto Gerber , Anthony Sonrel , Mark D. Robinson

This paper introduces the FermiFab toolbox for many-particle quantum systems. It is mainly concerned with the representation of (symbolic) fermionic wavefunctions and the calculation of corresponding reduced density matrices (RDMs). The…

Quantum Physics · Physics 2012-08-01 Christian B. Mendl

We present PyMoosh, a Python-based simulation library designed to provide a comprehensive set of numerical tools allowing to compute essentially all optical characteristics of multilayered structures, ranging from reflectance and…

It is more and more common to explore the genome at diverse levels and not only at a single omic level. Through integrative statistical methods, omics data have the power to reveal new biological processes, potential biomarkers, and…

Methodology · Statistics 2021-03-05 Morgane Pierre-Jean , Florence Mauger , Jean-François Deleuze , Edith Le Floch