Related papers: A new algorithm for the $^K$DMDGP subclass of Dist…
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…
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…
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 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…
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…
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…
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…
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…
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…
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…
In this paper, we propose a fast and convergent algorithm to solve unassigned distance geometry problems (uDGP). Technically, we construct a novel quadratic measurement model by leveraging $\ell_0$-norm instead of $\ell_1$-norm in the…
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…
The Ordered Covering Problem (OCP) arises in the context of the Discretizable Molecular Distance Geometry Problem (DMDGP), where the ordering of pruning edges significantly impacts the performance of the SBBU algorithm for protein structure…
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…
This paper introduces a novel Differential Dynamic Programming (DDP) algorithm for solving discrete-time finite-horizon optimal control problems with inequality constraints. Two variants, namely Feasible- and Infeasible-IPDDP algorithms,…
Graph matching is a fundamental tool in computer vision and pattern recognition. In this paper, we introduce an algorithm for graph matching based on the proximal operator, referred to as differentiable proximal graph matching (DPGM).…
Symbolic regression (SR) is the process of discovering hidden relationships from data with mathematical expressions, which is considered an effective way to reach interpretable machine learning (ML). Genetic programming (GP) has been the…
Subgraph matching is a core task in graph analytics, widely used in domains such as biology, finance, and social networks. Existing top-k diversified methods typically focus on maximizing vertex coverage, but often return results in the…
Generative Retrieval (GR) has emerged as a promising paradigm to unify indexing and search within a single probabilistic framework. However, existing approaches suffer from two intrinsic conflicts: (1) an Optimization Blockage, where the…
We propose a novel centralized and decoupled algorithm, DDM, for solving multi-robot path planning problems in grid graphs, targeting on-demand and automated warehouse-like settings. Two settings are studied: a traditional one whose…