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The Discretizable Molecular Distance Geometry Problem (DMDGP) aims to determine the three-dimensional protein structure using distance information from nuclear magnetic resonance experiments. The DMDGP has a finite number of candidate…

Quantum Physics · Physics 2022-07-20 Carlile Lavor , Franklin Marquezino , Andres Oliveira , Renato Portugal

The fundamental inverse problem in distance geometry is the one of finding positions from inter-point distances. The Discretizable Molecular Distance Geometry Problem (DMDGP) is a subclass of the Distance Geometry Problem (DGP) whose search…

Combinatorics · Mathematics 2021-11-15 Douglas S. Goncalves , Carlile Lavor , Leo Liberti , Michael Souza

Given a weighted undirected graph $G=(V,E,d)$, the Molecular Distance Geometry Problem (MDGP) is that of finding a function $x:G\to \mathbb{R}^{3}$, where $||x(u)-x(v)||=d(u,v)$ for each $\{u,v\}\in E$. We show that under a few assumptions…

Biomolecules · Quantitative Biology 2007-05-23 Carlile Lavor , Leo Liberti , Nelson Maculan

Given an integer dimension K and a simple, undirected graph G with positive edge weights, the Distance Geometry Problem (DGP) aims to find a realization function mapping each vertex to a coordinate in K-dimensional space such that the…

Optimization and Control · Mathematics 2020-10-13 Moira MacNeil , Merve Bodur

The Molecular Distance Geometry Problem (MDGP) is essential in structural biology, as it seeks to determine three-dimensional protein structures from partial interatomic distances. Its discretizable subclass (DMDGP) admits an exact…

Optimization and Control · Mathematics 2025-10-24 Leonardo D. Secchin , Wagner da Rocha , Mariana da Rosa , Leo Liberti , Carlile Lavor

The Discretizable Molecular Distance Geometry Problem (DMDGP) consists in a subclass of the Molecular Distance Geometry Problem for which an embedding in ${\mathbb{R}^3}$ can be found using a Branch & Prune (BP) algorithm in a discrete…

Computational Geometry · Computer Science 2013-05-08 Alessandro Andrioni

Distance Geometry plays a central role in determining protein structures from Nuclear Magnetic Resonance (NMR) data, a task known as the Molecular Distance Geometry Problem (MDGP). A subclass of this problem, the Discretizable Distance…

The Generalized Discretizable Molecular Distance Geometry Problem is a distance geometry problems that can be solved by a combinatorial algorithm called ``Branch-and-Prune''. It was observed empirically that the number of solutions of YES…

Discrete Mathematics · Computer Science 2010-10-12 Leo Liberti , Benoit Masson , Jon Lee , Carlile Lavor , Antonio Mucherino

The Maximally Diverse Grouping Problem (MDGP) is the problem of assigning a set of elements to mutually disjoint groups in order to maximise the overall diversity between the elements. Because the MDGP is NP-complete, most studies have…

Optimization and Control · Mathematics 2024-10-14 Kevin Fu Yuan Lam , Jiang Qian

Geometric programming (GP) is a well-known optimization tool for dealing with a wide range of nonlinear optimization and engineering problems. In general, it is assumed that the parameters of a GP problem are deterministic and accurate.…

Optimization and Control · Mathematics 2026-03-09 Tapas Mondal , Akshay Kumar Ojha , Sabyasachi Pani

Distance Geometry Problem (DGP) and Nonlinear Mapping (NLM) are two well established questions: Distance Geometry Problem is about finding a Euclidean realization of an incomplete set of distances in a Euclidean space, whereas Nonlinear…

Computational Geometry · Computer Science 2019-05-10 Alain Franc , Pierre Blanchard , Olivier Coulaud

A Geometric programming (GP) is a type of mathematical problem characterized by objective and constraint functions that have a special form. Many methods have been developed to solve large scale engineering design GP problems. In this paper…

Data Structures and Algorithms · Computer Science 2009-12-10 Dr. A. K. Ojha , K. K. Biswal

Geometric programming (GP) provides a power tool for solving a variety of optimization problems. In the real world, many applications of geometric programming (GP) are engineering design problems in which some of the problem parameters are…

Numerical Analysis · Computer Science 2010-02-08 A. K. Ojha , A. K. Das

The Euclidean distance geometry problem arises in a wide variety of applications, from determining molecular conformations in computational chemistry to localization in sensor networks. When the distance information is incomplete, the…

Information Theory · Computer Science 2018-10-30 Abiy Tasissa , Rongjie Lai

The interval Distance Geometry Problem (iDGP) consists in finding a realization in $\mathbb{R}^K$ of a simple undirected graph $G=(V,E)$ with nonnegative intervals assigned to the edges in such a way that, for each edge, the Euclidean…

Computational Geometry · Computer Science 2016-07-05 Claudia D'Ambrosio , Ky Vu , Carlile Lavor , Leo Liberti , Nelson Maculan

We introduce and study conic geometric programs (CGPs), which are convex optimization problems that unify geometric programs (GPs) and conic optimization problems such as semidefinite programs (SDPs). A CGP consists of a linear objective…

Optimization and Control · Mathematics 2013-10-14 Venkat Chandrasekaran , Parikshit Shah

Minimum distance constraints (minDCs) appear in many geometric optimization problems. They pose major challenges for mixed-integer nonlinear programming (MINLP) due to their reverse-convexity. We develop new algorithms for tightening…

Optimization and Control · Mathematics 2026-05-05 Christopher Hojny , Leo Liberti

We survey theoretical, algorithmic, and computational results at the intersection of distance geometry problems and mathematical programming, both with and without adjacencies as part of the input. While mathematical programming methods can…

Optimization and Control · Mathematics 2024-10-22 Leo Liberti , Carlile Lavor

An approximate formulation of a robust geometric program (RGP) as a convex program is proposed. Interest in using geometric programs (GPs) to model complex engineering systems has been growing, and this has motivated explicitly modeling the…

Optimization and Control · Mathematics 2018-08-23 Ali Saab , Edward Burnell , Warren W. Hoburg

An important application of distance geometry to biochemistry studies the embeddings of the vertices of a weighted graph in the three-dimensional Euclidean space such that the edge weights are equal to the Euclidean distances between…

Computational Geometry · Computer Science 2011-03-08 Leo Liberti , Carlile Lavor , Benoit Masson , Antonio Mucherino
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