Single and Multi-Objective Optimization Test Functions

Provides generators for a high number of both single- and multi- objective test functions which are frequently used for the benchmarking of (numerical) optimization algorithms. Moreover, it offers a set of convenient functions to generate, plot and work with objective functions.

Unified Simulation of Isomorphisms Between Ant Colony Intelligence and Machine Learning

Implements the full suite of simulation, visualization, and analysis tools for exploring the mathematical isomorphisms between ant colony decision-making and three major paradigms of machine learning: random forests (Part I: variance reduction through decorrelation), boosting (Part II: bias reduction through adaptive recruitment), and neural networks (Part III: gradient-based generational learning). Accompanies the trilogy "Isomorphic Functionalities between Ant Colony and Ensemble Learning" (Fokoué, Babbitt, and Levental, 2026, , ).

Evolutionary Multiobjective Optimization Algorithms

Collection of building blocks for the design and analysis of evolutionary multiobjective optimization algorithms.

Helpers for Parameters in Black-Box Optimization, Tuning and Machine Learning

Functions for parameter descriptions and operations in black-box optimization, tuning and machine learning. Parameters can be described (type, constraints, defaults, etc.), combined to parameter sets and can in general be programmed on. A useful OptPath object (archive) to log function evaluations is also provided.

Multivariate and Propensity Score Matching with Balance Optimization

Provides functions for multivariate and propensity score matching and for finding optimal balance based on a genetic search algorithm. A variety of univariate and multivariate metrics to determine if balance has been obtained are also provided. For details, see the paper by Jasjeet Sekhon (2007, ).

Limited-memory BFGS Optimization

A wrapper built around the libLBFGS optimization library by Naoaki Okazaki. The lbfgs package implements both the Limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) and the Orthant-Wise Quasi-Newton Limited-Memory (OWL-QN) optimization algorithms. The L-BFGS algorithm solves the problem of minimizing an objective, given its gradient, by iteratively computing approximations of the inverse Hessian matrix. The OWL-QN algorithm finds the optimum of an objective plus the L1-norm of the problem's parameters. The package offers a fast and memory-efficient implementation of these optimization routines, which is particularly suited for high-dimensional problems.

Computation of Optimal Transport Plans and Wasserstein Distances

Solve optimal transport problems. Compute Wasserstein distances (a.k.a. Kantorovitch, Fortet--Mourier, Mallows, Earth Mover's, or minimal L_p distances), return the corresponding transference plans, and display them graphically. Objects that can be compared include grey-scale images, (weighted) point patterns, and mass vectors.

An Alternative Advanced Normalization Tools ('ANTs')

Provides portable access from 'R' to biomedical image processing toolbox 'ANTs' by Avants et al. (2009) via seamless integration with the 'Python' implementation 'ANTsPy'. Allows biomedical images to be processed in 'Python' and analyzed in 'R', and vice versa via shared memory. See 'citation("rpyANTs")' for more reference information.

Solve Nonlinear Optimization with Nonlinear Constraints

Optimization for nonlinear objective and constraint functions. Linear or nonlinear equality and inequality constraints are allowed. It accepts the input parameters as a constrained matrix.

Bayesian Optimization and Model-Based Optimization of Expensive Black-Box Functions

Flexible and comprehensive R toolbox for model-based optimization ('MBO'), also known as Bayesian optimization. It implements the Efficient Global Optimization Algorithm and is designed for both single- and multi- objective optimization with mixed continuous, categorical and conditional parameters. The machine learning toolbox 'mlr' provide dozens of regression learners to model the performance of the target algorithm with respect to the parameter settings. It provides many different infill criteria to guide the search process. Additional features include multi-point batch proposal, parallel execution as well as visualization and sophisticated logging mechanisms, which is especially useful for teaching and understanding of algorithm behavior. 'mlrMBO' is implemented in a modular fashion, such that single components can be easily replaced or adapted by the user for specific use cases.