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Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…

PEPit is a Python package aiming at simplifying the access to worst-case analyses of a large family of first-order optimization methods possibly involving gradient, projection, proximal, or linear optimization oracles, along with their…

Optimization and Control · Mathematics 2024-06-18 Baptiste Goujaud , Céline Moucer , François Glineur , Julien Hendrickx , Adrien Taylor , Aymeric Dieuleveut

*** To appear in IJCAI 2015 proceedings *** In Constraint Programming (CP), a portfolio solver uses a variety of different solvers for solving a given Constraint Satisfaction / Optimization Problem. In this paper we introduce sunny-cp2: the…

Artificial Intelligence · Computer Science 2015-05-01 Roberto Amadini , Maurizio Gabbrielli , Jacopo Mauro

In this paper we consider multi-objective optimization problems over a box. The problem is very relevant and several computational approaches have been proposed in the literature. They broadly fall into two main classes: evolutionary…

Optimization and Control · Mathematics 2022-12-08 Matteo Lapucci , Pierluigi Mansueto , Fabio Schoen

To enable the computation of effective randomized patrol routes for single- or multi-robot teams, we present RoSSO, a Python package designed for solving Markov chain optimization problems. We exploit machine-learning techniques such as…

Robotics · Computer Science 2025-04-10 Yohan John , Connor Hughes , Gilberto Diaz-Garcia , Jason R. Marden , Francesco Bullo

This thesis focuses on the intersection of mathematical and computational optimization and quantum information. Main contributions are open-source software code: A hybrid approach mixing "traditional" nonconvex and convex methods can make…

Quantum Physics · Physics 2025-12-19 Benjamin Desef

NonOpt, a C++ software package for minimizing locally Lipschitz objective functions, is presented. The software is intended primarily for minimizing objective functions that are nonconvex and/or nonsmooth. The package has implementations of…

Optimization and Control · Mathematics 2025-04-01 Frank E. Curtis , Lara Zebiane

Global polynomial optimization methods typically rely on compactness of the feasible region in order to find solutions. These methods can incur considerable computational expense and most commercially available solvers do not verify the…

Optimization and Control · Mathematics 2026-05-12 Rohan Rele , Angelia Nedich

Optimization problems involving mixed variables (i.e., variables of numerical and categorical nature) can be challenging to solve, especially in the presence of mixed-variable constraints. Moreover, when the objective function is the result…

Optimization and Control · Mathematics 2024-12-12 Mengjia Zhu , Alberto Bemporad

Noisy optimization is the optimization of objective functions corrupted by noise. A portfolio of solvers is a set of solvers equipped with an algorithm selection tool for distributing the computational power among them. Portfolios are…

Optimization and Control · Mathematics 2015-11-05 Marie-Liesse Cauwet , Jialin Liu , Rozière Baptiste , Olivier Teytaud

Stochastic Optimal Control provides a unified mathematical framework for solving complex decision-making problems, encompassing paradigms such as maximum entropy reinforcement learning(RL) and imitation learning(IL). However, conventional…

Machine Learning · Computer Science 2026-02-23 Hang Liu , Sangli Teng , Maani Ghaffari

The optimal binning is the optimal discretization of a variable into bins given a discrete or continuous numeric target. We present a rigorous and extensible mathematical programming formulation for solving the optimal binning problem for a…

Machine Learning · Computer Science 2022-12-12 Guillermo Navas-Palencia

Bayesian Networks (BNs) are used in various fields for modeling, prediction, and decision making. pgmpy is a python package that provides a collection of algorithms and tools to work with BNs and related models. It implements algorithms for…

Machine Learning · Computer Science 2023-04-19 Ankur Ankan , Johannes Textor

We consider problems with multiple linear objectives and linear constraints and use Adjustable Robust Optimization and Polynomial Optimization as tools to approximate the Pareto set with polynomials of arbitrarily large degree. The main…

Optimization and Control · Mathematics 2015-01-13 Bram L. Gorissen , Dick den Hertog

A common technique in the study of complex quantum-mechanical systems is to reduce the number of degrees of freedom in the Hamiltonian by using quasi-degenerate perturbation theory. While the Schrieffer--Wolff transformation achieves this…

Quantum Physics · Physics 2025-02-19 Isidora Araya Day , Sebastian Miles , Hugo K. Kerstens , Daniel Varjas , Anton R. Akhmerov

We propose a black-box approach to reducing large semidefinite programs to a set of smaller semidefinite programs by projecting to random linear subspaces. We evaluate our method on a set of polynomial optimization problems, demonstrating…

Optimization and Control · Mathematics 2025-09-17 Etienne Buehrle , Christoph Stiller

We describe a major update of our Matlab freeware GloptiPoly for parsing generalized problems of moments and solving them numerically with semidefinite programming.

Optimization and Control · Mathematics 2007-09-18 Didier Henrion , Jean Bernard Lasserre , Johan Lofberg

This paper introduces the design and implementation of PyOptInterface, a modeling language for mathematical optimization embedded in Python programming language. PyOptInterface uses lightweight and compact data structure to bridge…

Mathematical Software · Computer Science 2024-05-17 Yue Yang , Chenhui Lin , Luo Xu , Wenchuan Wu

In this article, we use the monotonic optimization approach to propose an outcome-space outer approximation by copolyblocks for solving strictly quasiconvex multiobjective programming problems and especially in the case that the objective…

Optimization and Control · Mathematics 2020-03-26 Tran Ngoc Thang , Vijender Kumar Solanki , Tuan Anh Dao , Nguyen Thi Ngoc Anh , Hai V. Pham

A problem of minimization of delivery and storage costs of a product is considered under constraints on volumes of delivery from each of the suppliers. It is required to determine optimal volumes and times of product shipments. The problem…

Optimization and Control · Mathematics 2013-11-06 Natalia Burlakova , Vladimir Servakh