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The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…
Gaussian process (GP) models are commonly used statistical metamodels for emulating expensive computer simulators. Fitting a GP model can be numerically unstable if any pair of design points in the input space are close together. Ranjan,…
Evolving a software process model without a retrospective and, in consequence, without an understanding of the process evolution, can lead to severe problems for the software development organization, e.g., inefficient performance as a…
The R package panelPomp supports analysis of panel data via a general class of partially observed Markov process models (PanelPOMP). This package tutorial describes how the mathematical concept of a PanelPOMP is represented in the software…
Observational studies are often conducted to estimate causal effects of treatments or exposures on event-time outcomes. Since treatments are not randomized in observational studies, techniques from causal inference are required to adjust…
Over the last two decades, the science has come a long way from relying on only physical experiments and observations to experimentation using computer simulators. This chapter focusses on the modelling and analysis of data arising from…
We consider the statistical problem of estimating constituent curves from observations of their aggregated curves, referred to as aggregated functional data, in models with additive errors. A typical model arises in chemometrics via the…
Problems in modeling and simulation require significantly different workflow management technologies than standard grid-based workflow management systems. Computational scientists typically interact with simulation software in a feedback…
We look at common problems found in data that is used for predictive modeling tasks, and describe how to address them with the vtreat R package. vtreat prepares real-world data for predictive modeling in a reproducible and statistically…
The design and analysis of systems that combine computational behaviour with physical processes' continuous dynamics - such as movement, velocity, and voltage - is a famous, challenging task. Several theoretical results from programming…
The matrixdist R package provides a comprehensive suite of tools for the statistical analysis of matrix distributions, including phase-type, inhomogeneous phase-type, discrete phase-type, and related multivariate distributions. This paper…
Modelling complex real-world situations such as infectious diseases, geological phenomena, and biological processes can present a dilemma: the computer model (referred to as a simulator) needs to be complex enough to capture the dynamics of…
Modern analysis of high energy physics (HEP) data needs advanced statistical tools to separate signal from background. A C++ package has been implemented to provide such tools for the HEP community. The package includes linear and quadratic…
Counterfactual explanation methods provide information on how feature values of individual observations must be changed to obtain a desired prediction. Despite the increasing amount of proposed methods in research, only a few…
The INLA package provides a tool for computationally efficient Bayesian modeling and inference for various widely used models, more formally the class of latent Gaussian models. It is a non-sampling based framework which provides…
Quantile-based approaches to the spectral analysis of time series have recently attracted a lot of attention. Despite a growing literature that contains various estimation proposals, no systematic methods for computing the new estimators…
In this article, we introduce the R package portes with extensive illustrative applications. The asymptotic distributions and the Monte Carlo procedures of the most popular univariate and multivariate portmanteau test statistics, including…
The study group on data preservation in high energy physics, DPHEP, is moving to a new collaboration structure, which will focus on the implementation of preservation projects, such as those described in the group's large scale report…
Data analysis requires translating higher level questions and hypotheses into computable statistical models. We present a mixed-methods study aimed at identifying the steps, considerations, and challenges involved in operationalizing…
We survey some general-purpose symbolic software packages that implement algorithms from enumerative and analytic combinatorics. Software for the following areas is covered: basic combinatorial objects, symbolic combinatorics, P\'olya…