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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

The problem of determining the configuration of points from partial distance information, known as the Euclidean Distance Geometry (EDG) problem, is fundamental to many tasks in the applied sciences. In this paper, we propose two algorithms…

Optimization and Control · Mathematics 2024-10-10 Chandler Smith , HanQin Cai , Abiy Tasissa

The problem of finding suitable point embedding or geometric configurations given only Euclidean distance information of point pairs arises both as a core task and as a sub-problem in a variety of machine learning applications. In this…

Machine Learning · Computer Science 2024-10-23 Ipsita Ghosh , Abiy Tasissa , Christian Kümmerle

Stochastic differentiable approximation schemes are widely used for solving high dimensional problems. Most of existing methods satisfy some desirable properties, including conditional descent inequalities, and almost sure (a.s.)…

Optimization and Control · Mathematics 2024-11-08 Jean-Baptiste Fest , Audrey Repetti , Emilie Chouzenoux

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

Nonconvex and nonsmooth optimization problems are important and challenging for statistics and machine learning. In this paper, we propose Projected Proximal Gradient Descent (PPGD) which solves a class of nonconvex and nonsmooth…

Optimization and Control · Mathematics 2024-09-26 Yingzhen Yang , Ping Li

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

This paper concerns models and convergence principles for dealing with stochasticity in a wide range of algorithms arising in nonlinear analysis and optimization in Hilbert spaces. It proposes a flexible geometric framework within which…

Optimization and Control · Mathematics 2026-02-17 Patrick L. Combettes , Javier I. Madariaga

The problem of recovering the configuration of points from their partial pairwise distances, referred to as the Euclidean Distance Matrix Completion (EDMC) problem, arises in a broad range of applications, including sensor network…

Optimization and Control · Mathematics 2026-05-07 Chandler Smith , HanQin Cai , Abiy Tasissa

This paper proposes and analyzes a gradient-type algorithm based on Burer-Monteiro factorization, called the Asymmetric Projected Gradient Descent (APGD), for reconstructing the point set configuration from partial Euclidean distance…

Machine Learning · Computer Science 2025-10-20 Yicheng Li , Xinghua Sun

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

This paper is devoted to the theoretical and numerical investigation of an augmented Lagrangian method for the solution of optimization problems with geometric constraints. Specifically, we study situations where parts of the constraints…

Optimization and Control · Mathematics 2022-04-20 Xiaoxi Jia , Christian Kanzow , Patrick Mehlitz , Gerd Wachsmuth

The Distance Geometry Problem (DGP) seeks to find positions for a set of points in geometric space when some distances between pairs of these points are known. The so-called discretization assumptions allow to discretize the search space of…

Optimization and Control · Mathematics 2021-07-02 Moira MacNeil , Merve Bodur

We study the convergence properties of a general inertial first-order proximal splitting algorithm for solving nonconvex nonsmooth optimization problems. Using the Kurdyka--\L ojaziewicz (KL) inequality we establish new convergence rates…

Optimization and Control · Mathematics 2016-09-14 Patrick R. Johnstone , Pierre Moulin

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

Gradient descent methods are fundamental first-order optimization algorithms in both Euclidean spaces and Riemannian manifolds. However, the exact gradient is not readily available in many scenarios. This paper proposes a novel inexact…

Optimization and Control · Mathematics 2024-09-18 Juan Zhou , Kangkang Deng , Hongxia Wang , Zheng Peng

In this paper we consider a nonconvex optimization problem with nonlinear equality constraints. We assume that both, the objective function and the functional constraints, are locally smooth. For solving this problem, we propose a…

Optimization and Control · Mathematics 2024-12-02 Lahcen El Bourkhissi , Ion Necoara

In this paper, we introduce a neural network-based method to address the high-dimensional dynamic unbalanced optimal transport (UOT) problem. Dynamic UOT focuses on the optimal transportation between two densities with unequal total mass,…

Optimization and Control · Mathematics 2024-09-23 Wei Wan , Jiangong Pan , Yuejin Zhang , Chenglong Bao , Zuoqiang Shi

Existing error-bound-based analyses for stochastic algorithms that exhibit certain descent properties, such as randomized coordinate descent and randomized projection methods, are often limited in scope and typically lead to overly…

Optimization and Control · Mathematics 2026-03-19 Zhichun Yang , Li Jiang , Tianxiang Liu , Man-Chung Yue

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
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