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relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…

Soft Condensed Matter · Physics 2024-08-07 Adithya N Sreenivasan , C. Levi Petix , Zachary M. Sherman , Michael P. Howard

We propose an algorithm for generating explicit solutions of multiparametric mixed-integer convex programs to within a given suboptimality tolerance. The algorithm is applicable to a very general class of optimization problems, but is most…

Optimization and Control · Mathematics 2019-06-12 Danylo Malyuta , Behcet Acikmese

We present a new algorithm for solving a polynomial program P based on the recent "joint + marginal" approach of the first author for, parametric optimization. The idea is to first consider the variable x1 as a parameter and solve the…

Optimization and Control · Mathematics 2010-06-01 Jean B. Lasserre , Thanh Tung Phan

In this paper, we present pomdp_py, a general purpose Partially Observable Markov Decision Process (POMDP) library written in Python and Cython. Existing POMDP libraries often hinder accessibility and efficient prototyping due to the…

Artificial Intelligence · Computer Science 2020-04-22 Kaiyu Zheng , Stefanie Tellex

We introduce and study a novel generalization of the classical Knapsack Problem (KP), called the Colored Knapsack Problem (CKP). In this problem, the items are partitioned into classes of colors and the packed items need to be ordered such…

Optimization and Control · Mathematics 2026-02-13 Fabio Ciccarelli , Alexander Helber , Erik Mühmer

MINLO (mixed-integer nonlinear optimization) formulations of the disjunction between the origin and a polytope via a binary indicator variable is broadly used in nonlinear combinatorial optimization for modeling a fixed cost associated with…

Optimization and Control · Mathematics 2024-04-11 Luze Xu , Jon Lee

Pareto optimization via evolutionary multi-objective algorithms has been shown to efficiently solve constrained monotone submodular functions. Traditionally when solving multiple problems, the algorithm is run for each problem separately.…

Neural and Evolutionary Computing · Computer Science 2026-04-17 Liam Wigney , Frank Neumann

The reproducibility crisis in scientific computing constrains robotics research. Existing studies reveal that up to 70% of robotics algorithms cannot be reproduced by independent teams, while many others fail to reach deployment because…

We present MultiObjectiveAlgorithms.jl, an open-source Julia library for solving multi-objective optimization problems written in JuMP. MultiObjectiveAlgorithms.jl implements a number of different solution algorithms, which all rely on an…

Optimization and Control · Mathematics 2026-05-26 Oscar Dowson , Xavier Gandibleux , Gökhan Kof

Gaussian Processes (GPs) are flexible, nonparametric Bayesian models widely used for regression and classification because of their ability to capture complex data patterns and quantify predictive uncertainty. However, the O(n^3)…

Machine Learning · Computer Science 2026-01-14 Hua Huang , Tianshi Xu , Yuanzhe Xi , Edmond Chow

We give an approximation algorithm for packing and covering linear programs (linear programs with non-negative coefficients). Given a constraint matrix with n non-zeros, r rows, and c columns, the algorithm computes feasible primal and dual…

Data Structures and Algorithms · Computer Science 2015-06-02 Christos Koufogiannakis , Neal E. Young

We present NEP-PACK a novel open-source library for the solution of nonlinear eigenvalue problems (NEPs). The package provides a framework to represent NEPs, as well as efficient implementations of many state-of-the-art algorithms. The…

Numerical Analysis · Mathematics 2018-11-26 Elias Jarlebring , Max Bennedich , Giampaolo Mele , Emil Ringh , Parikshit Upadhyaya

At many scales in neuroscience, appropriate mathematical models take the form of complex dynamical systems. Parametrising such models to conform to the multitude of available experimental constraints is a global nonlinear optimisation…

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…

Mathematical Software · Computer Science 2016-01-13 Andrew MacFie

Health economic evaluations are sensitive to the choice of analytical perspective (e.g., health system vs. societal). While guidelines often recommend specific perspectives, the uncertainty associated with this choice - and the potential…

General Economics · Economics 2025-12-04 Dylan A Mordaunt

Most cloud computing optimizers explore and improve one workload at a time. When optimizing many workloads, the single-optimizer approach can be prohibitively expensive. Accordingly, we examine "collective optimizer" that concurrently…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-16 Chin-Jung Hsu , Vivek Nair , Tim Menzies , Vincent Freeh

Multiobjective design optimization problems require multiobjective optimization techniques to solve, and it is often very challenging to obtain high-quality Pareto fronts accurately. In this paper, the recently developed flower pollination…

Optimization and Control · Mathematics 2014-08-25 Xin-She Yang , M. Karamanoglu , X. S. He

Solving linear systems and quadratic programming (QP) problems are both ubiquitous tasks in the engineering and computing fields. Direct methods for solving systems, such as Cholesky, LU, and QR factorizations, exhibit data-independent time…

Optimization and Control · Mathematics 2025-07-08 Liang Wu , Richard D. Braatz

Knapsack problems (KPs) are common in industry, but solving KPs is known to be NP-hard and has been tractable only at a relatively small scale. This paper examines KPs in a slightly generalized form and shows that they can be solved nearly…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-06 Xingwen Zhang , Feng Qi , Zhigang Hua , Shuang Yang

This paper describes jMetalPy, an object-oriented Python-based framework for multi-objective optimization with metaheuristic techniques. Building upon our experiences with the well-known jMetal framework, we have developed a new…

Neural and Evolutionary Computing · Computer Science 2019-04-18 Antonio Benitez-Hidalgo , Antonio J. Nebro , Jose Garcia-Nieto , Izaskun Oregi , Javier Del Ser