With the provision of several tools and templates the MOSAIC project (DFG-Grant Number HO 1937/2-1) supports the implementation of a central data management in epidemiological research projects. The MOQA package enables epidemiologists with none or low experience in R to generate basic data quality reports for a wide range of application scenarios. See <https://mosaic-greifswald.de/> for more information. Please read and cite the corresponding open access publication (using the former package-name) in METHODS OF INFORMATION IN MEDICINE by M. Bialke, H. Rau, T. Schwaneberg, R. Walk, T. Bahls and W. Hoffmann (2017) <doi:10.3414/ME16-01-0123>. <https://methods.schattauer.de/en/contents/most-recent-articles/issue/2483/issue/special/manuscript/27573/show.html>.

Causal and statistical inference on an arbitrary treatment effect curve requires care in both estimation and inference. This package, implements the Method of Direct Estimation and Inference as introduced in "Estimation and Inference on Nonlinear and Heterogeneous Effects" by Ratkovic and Tingley (2023) <doi:10.1086/723811>. The method takes an outcome, variable of theoretical interest (treatment), and set of variables and then returns a partial derivative (marginal effect) of the treatment variable at each point along with uncertainty intervals. The approach offers two advances. First, a split-sample approach is used as a guard against over-fitting. Second, the method uses a data-driven interval derived from conformal inference, rather than relying on a normality assumption on the error terms.

An updated and extended version of spm package, by introducing some further novel functions for modern statistical methods (i.e., generalised linear models, glmnet, generalised least squares), thin plate splines, support vector machine, kriging methods (i.e., simple kriging, universal kriging, block kriging, kriging with an external drift), and novel hybrid methods (228 hybrids plus numerous variants) of modern statistical methods or machine learning methods with mathematical and/or univariate geostatistical methods for spatial predictive modelling. For each method, two functions are provided, with one function for assessing the predictive errors and accuracy of the method based on cross-validation, and the other for generating spatial predictions. It also contains a couple of functions for data preparation and predictive accuracy assessment.

This package provides three methods proposed by Shang and Apley (2019) <doi:10.1080/00224065.2019.1705207> to generate fully-sequential space-filling designs inside a unit hypercube. A fully-sequential space-filling design means a sequence of nested designs (as the design size varies from one point up to some maximum number of points) with the design points added one at a time and such that the design at each size has good space-filling properties. Two methods target the minimum pairwise distance criterion and generate maximin designs, among which one method is more efficient when design size is large. One method targets the maximum hole size criterion and uses a heuristic to generate what is closer to a minimax design.

Gradient boosting is a powerful statistical learning method known for its ability to model complex relationships between predictors and outcomes while performing inherent variable selection. However, traditional gradient boosting methods lack flexibility in handling longitudinal data where within-subject correlations play a critical role. In this package, we propose a novel approach Mixed Effect Gradient Boosting ('MEGB'), designed specifically for high-dimensional longitudinal data. MEGB incorporates a flexible semi-parametric model that embeds random effects within the gradient boosting framework, allowing it to account for within-individual covariance over time. Additionally, the method efficiently handles scenarios where the number of predictors greatly exceeds the number of observations (p>>n) making it particularly suitable for genomics data and other large-scale biomedical studies.

Interaction between a genetic variant (e.g., a single nucleotide polymorphism) and an environmental variable (e.g., physical activity) can have a shared effect on multiple phenotypes (e.g., blood lipids). We implement a two-step method to test for an overall interaction effect on multiple phenotypes. In first step, the method tests for an overall marginal genetic association between the genetic variant and the multivariate phenotype. The genetic variants which show an evidence of marginal overall genetic effect in the first step are prioritized while testing for an overall gene-environment interaction effect in the second step. Methodology is available from: A Majumdar, KS Burch, S Sankararaman, B Pasaniuc, WJ Gauderman, JS Witte (2020) <doi:10.1101/2020.07.06.190256>.

Supplements for a book, "iTOS" = "Introduction to the Theory of Observational Studies." Data sets are aHDL from Rosenbaum (2023a) <doi:10.1111/biom.13558> and bingeM from Rosenbaum (2023b) <doi:10.1111/biom.13921>. The function makematch() uses two-criteria matching from Zhang et al. (2023) <doi:10.1080/01621459.2021.1981337> to create the matched data bingeM from binge'. The makematch() function also implements optimal matching (Rosenbaum (1989) <doi:10.2307/2290079>) and matching with fine or near-fine balance (Rosenbaum et al. (2007) <doi:10.1198/016214506000001059> and Yang et al (2012) <doi:10.1111/j.1541-0420.2011.01691.x>). The book makes use of two other R packages, weightedRank and tightenBlock'.

Plug-in and difference-based long-run covariance matrix estimation for time series regression. Two applications of hypothesis testing are also provided. The first one is for testing for structural stability in coefficient functions. The second one is aimed at detecting long memory in time series regression. Lujia Bai and Weichi Wu (2024)<doi:10.3150/23-BEJ1680> Zhou Zhou and Wei Biao Wu(2010)<doi:10.1111/j.1467-9868.2010.00743.x> Jianqing Fan and Wenyang Zhang<doi:10.1214/aos/1017939139> Lujia Bai and Weichi Wu(2024)<doi:10.1093/biomet/asae013> Dimitris N. Politis, Joseph P. Romano, Michael Wolf(1999)<doi:10.1007/978-1-4612-1554-7> Weichi Wu and Zhou Zhou(2018)<doi:10.1214/17-AOS1582>.

Imports a cov/coverage file (normalised read coverages from BAM files) and a cnv file (list of CNVs - similiar to a BED file) from WES/ WGS CNV (copy number variation) detection pipelines and utilises several metrics to weigh the likelihood of a sample containing a detected CNV being a true CNV or a false positive. Highly useful for diagnostic testing to filter out false positives to provide clinicians with fewer variants to interpret. SARC uniquely only used cov and csv (similiar to BED file) files which are the common CNV pipeline calling filetypes, and can be used as to supplement the Interactive Genome Browser (IGV) to generate many figures automatedly, which can be especially helpful in large cohorts with 100s-1000s of patients.

Training of neural networks for classification and regression tasks using mini-batch gradient descent. Special features include a function for training autoencoders, which can be used to detect anomalies, and some related plotting functions. Multiple activation functions are supported, including tanh, relu, step and ramp. For the use of the step and ramp activation functions in detecting anomalies using autoencoders, see Hawkins et al. (2002) <doi:10.1007/3-540-46145-0_17>. Furthermore, several loss functions are supported, including robust ones such as Huber and pseudo-Huber loss, as well as L1 and L2 regularization. The possible options for optimization algorithms are RMSprop, Adam and SGD with momentum. The package contains a vectorized C++ implementation that facilitates fast training through mini-batch learning.

This package provides a toolkit for Flux Balance Analysis and related metabolic modeling techniques. Functions are provided for: parsing models in tabular format, converting parsed metabolic models to input formats for common linear programming solvers, and evaluating and applying gene-protein-reaction mappings. In addition, there are wrappers to parse a model, select a solver, find the metabolic fluxes, and return the results applied to the original model. Compared to other packages in this field, this package puts a much heavier focus on providing reusable components that can be used in the design of new implementation of new techniques, in particular those that involve large parameter sweeps. For a background on the theory, see What is Flux Balance Analysis <doi:10.1038/nbt.1614>.

This package provides a novel searching scheme for tuning parameter in high-dimensional penalized regression. We propose a new estimate of the regularization parameter based on an estimated lower bound of the proportion of false null hypotheses (Meinshausen and Rice (2006) <doi:10.1214/009053605000000741>). The bound is estimated by applying the empirical null distribution of the higher criticism statistic, a second-level significance testing, which is constructed by dependent p-values from a multi-split regression and aggregation method (Jeng, Zhang and Tzeng (2019) <doi:10.1080/01621459.2018.1518236>). An estimate of tuning parameter in penalized regression is decided corresponding to the lower bound of the proportion of false null hypotheses. Different penalized regression methods are provided in the multi-split algorithm.

Mixed models for repeated measures (MMRM) are a popular choice for analyzing longitudinal continuous outcomes in randomized clinical trials and beyond; see Cnaan, Laird and Slasor (1997) <doi:10.1002/(SICI)1097-0258(19971030)16:20%3C2349::AID-SIM667%3E3.0.CO;2-E> for a tutorial and Mallinckrodt, Lane, Schnell, Peng and Mancuso (2008) <doi:10.1177/009286150804200402> for a review. This package implements MMRM based on the marginal linear model without random effects using Template Model Builder ('TMB') which enables fast and robust model fitting. Users can specify a variety of covariance matrices, weight observations, fit models with restricted or standard maximum likelihood inference, perform hypothesis testing with Satterthwaite or Kenward-Roger adjustment, and extract least square means estimates by using emmeans'.

Parameter estimation and classification for Gaussian Mixture Models (GMMs) in the presence of missing data. This package complements existing implementations by allowing for both missing elements in the input vectors and full (as opposed to strictly diagonal) covariance matrices. Estimation is performed using an expectation conditional maximization algorithm that accounts for missingness of both the cluster assignments and the vector components. The output includes the marginal cluster membership probabilities; the mean and covariance of each cluster; the posterior probabilities of cluster membership; and a completed version of the input data, with missing values imputed to their posterior expectations. For additional details, please see McCaw ZR, Julienne H, Aschard H. "Fitting Gaussian mixture models on incomplete data." <doi:10.1186/s12859-022-04740-9>.

Most price indexes are made with a two-step procedure, where period-over-period elemental indexes are first calculated for a collection of elemental aggregates at each point in time, and then aggregated according to a price index aggregation structure. These indexes can then be chained together to form a time series that gives the evolution of prices with respect to a fixed base period. This package contains a collection of functions that revolve around this work flow, making it easy to build standard price indexes, and implement the methods described by Balk (2008, <doi:10.1017/CBO9780511720758>), von der Lippe (2007, <doi:10.3726/978-3-653-01120-3>), and the CPI manual (2020, <doi:10.5089/9781484354841.069>) for bilateral price indexes.

This package contains the functions for construction and visualization of various families of the proximity catch digraphs (PCDs), see (Ceyhan (2005) ISBN:978-3-639-19063-2), for computing the graph invariants for testing the patterns of segregation and association against complete spatial randomness (CSR) or uniformity in one, two and three dimensional cases. The package also has tools for generating points from these spatial patterns. The graph invariants used in testing spatial point data are the domination number (Ceyhan (2011) <doi:10.1080/03610921003597211>) and arc density (Ceyhan et al. (2006) <doi:10.1016/j.csda.2005.03.002>; Ceyhan et al. (2007) <doi:10.1002/cjs.5550350106>). The PCD families considered are Arc-Slice PCDs, Proportional-Edge PCDs, and Central Similarity PCDs.

Data science methods used in wind energy applications. Current functionalities include creating a multi-dimensional power curve model, performing power curve function comparison, covariate matching, and energy decomposition. Relevant works for the developed functions are: funGP() - Prakash et al. (2022) <doi:10.1080/00401706.2021.1905073>, AMK() - Lee et al. (2015) <doi:10.1080/01621459.2014.977385>, tempGP() - Prakash et al. (2022) <doi:10.1080/00401706.2022.2069158>, ComparePCurve() - Ding et al. (2021) <doi:10.1016/j.renene.2021.02.136>, deltaEnergy() - Latiffianti et al. (2022) <doi:10.1002/we.2722>, syncSize() - Latiffianti et al. (2022) <doi:10.1002/we.2722>, imptPower() - Latiffianti et al. (2022) <doi:10.1002/we.2722>, All other functions - Ding (2019, ISBN:9780429956508).

Analysis of dyadic network and relational data using additive and multiplicative effects (AME) models. The basic model includes regression terms, the covariance structure of the social relations model (Warner, Kenny and Stoto (1979) <DOI:10.1037/0022-3514.37.10.1742>, Wong (1982) <DOI:10.2307/2287296>), and multiplicative factor models (Hoff(2009) <DOI:10.1007/s10588-008-9040-4>). Several different link functions accommodate different relational data structures, including binary/network data, normal relational data, zero-inflated positive outcomes using a tobit model, ordinal relational data and data from fixed-rank nomination schemes. Several of these link functions are discussed in Hoff, Fosdick, Volfovsky and Stovel (2013) <DOI:10.1017/nws.2013.17>. Development of this software was supported in part by NIH grant R01HD067509.

Classification using Richard A. Harshman's Parallel Factor Analysis-1 (Parafac) model or Parallel Factor Analysis-2 (Parafac2) model fit to a three-way or four-way data array. See Harshman and Lundy (1994): <doi:10.1016/0167-9473(94)90132-5>. Uses component weights from one mode of a Parafac or Parafac2 model as features to tune parameters for one or more classification methods via a k-fold cross-validation procedure. Allows for constraints on different tensor modes. Supports penalized logistic regression, support vector machine, random forest, feed-forward neural network, regularized discriminant analysis, and gradient boosting machine. Supports binary and multiclass classification. Predicts class labels or class probabilities and calculates multiple classification performance measures. Implements parallel computing via the parallel and doParallel packages.

This package provides a set of functions to perform distribution-free Bayesian analyses. Included are Bayesian analogues to the frequentist Mann-Whitney U test, the Wilcoxon Signed-Ranks test, Kendall's Tau Rank Correlation Coefficient, Goodman and Kruskal's Gamma, McNemar's Test, the binomial test, the sign test, the median test, as well as distribution-free methods for testing contrasts among condition and for computing Bayes factors for hypotheses. The package also includes procedures to estimate the power of distribution-free Bayesian tests based on data simulations using various probability models for the data. The set of functions provide data analysts with a set of Bayesian procedures that avoids requiring parametric assumptions about measurement error and is robust to problem of extreme outlier scores.

Nested loop cross validation for classification purposes for misclassification error rate estimation. The package supports several methodologies for feature selection: random forest, Student t-test, limma, and provides an interface to the following classification methods in the MLInterfaces package: linear, quadratic discriminant analyses, random forest, bagging, prediction analysis for microarray, generalized linear model, support vector machine (svm and ksvm). Visualizations to assess the quality of the classifier are included: plot of the ranks of the features, scores plot for a specific classification algorithm and number of features, misclassification rate for the different number of features and classification algorithms tested and ROC plot. For further details about the methodology, please check: Markus Ruschhaupt, Wolfgang Huber, Annemarie Poustka, and Ulrich Mansmann (2004) <doi:10.2202/1544-6115.1078>.

Package contains functions for analyzing check-all-that-apply (CATA) data from consumer and sensory tests. Cochran's Q test, McNemar's test, and Penalty-Lift analysis are provided; for details, see Meyners, Castura & Carr (2013) <doi:10.1016/j.foodqual.2013.06.010>. Cluster analysis can be performed using b-cluster analysis, then evaluated using various measures; for details, see Castura, Meyners, Varela & Næs (2022) <doi:10.1016/j.foodqual.2022.104564>. Methods are adapted to cluster consumers based on their product-related hedonic responses; for details, see Castura, Meyners, Pohjanheimo, Varela & Næs (2023) <doi:10.1111/joss.12860>. Permutation tests based on the L1-norm methods are provided; for details, see Chaya, Castura & Greenacre (2025) <doi:10.48550/arXiv.2502.15945>.

Analysis and visualization of similarities between epilepsy ontologies based on text mining results by comparing ranked lists of co-occurring drug terms in the BioASQ corpus. The ranked result lists of neurological drug terms co-occurring with terms from the epilepsy ontologies EpSO, ESSO, EPILONT, EPISEM and FENICS undergo further analysis. The source data to create the ranked lists of drug names is produced using the text mining workflows described in Mueller, Bernd and Hagelstein, Alexandra (2016) <doi:10.4126/FRL01-006408558>, Mueller, Bernd et al. (2017) <doi:10.1007/978-3-319-58694-6_22>, Mueller, Bernd and Rebholz-Schuhmann, Dietrich (2020) <doi:10.1007/978-3-030-43887-6_52>, and Mueller, Bernd et al. (2022) <doi:10.1186/s13326-021-00258-w>.

This package provides a collection of functions to perform core tasks within Energy Trading and Risk Management (ETRM). Calculation of maximum smoothness forward price curves for electricity and natural gas contracts with flow delivery, as presented in F. E. Benth, S. Koekebakker, and F. Ollmar (2007) <doi:10.3905/jod.2007.694791> and F. E. Benth, J. S. Benth, and S. Koekebakker (2008) <doi:10.1142/6811>. Portfolio insurance trading strategies for price risk management in the forward market, see F. Black (1976) <doi:10.1016/0304-405X(76)90024-6>, T. Bjork (2009) <https://EconPapers.repec.org/RePEc:oxp:obooks:9780199574742>, F. Black and R. W. Jones (1987) <doi:10.3905/jpm.1987.409131> and H. E. Leland (1980) <http://www.jstor.org/stable/2327419>.