arXiv subjects

Carlile Lavor

Publications and source records attributed to Carlile Lavor.

23 records · Page 2Linked to original sources

arXiv2012

Local solutions of Maximum Likelihood Estimation in Quantum State Tomography

Maximum likelihood estimation is one of the most used methods in quantum state tomography, where the aim is to reconstruct the density matrix of a physical system from measurement results. One strategy to deal with positivity and unit trace constraints is to parameterize the matrix to be reconstructed in order to ensure that it is physical. In this case, the negative log-likelihood function in terms of the parameters, may have several local minima. In various papers in the field, a source of errors in this process has been associated to the possibility that most of these local minima are not global, so that optimization methods could be trapped in the wrong minimum, leading to a wrong density matrix. Here we show that, for convex negative log-likelihood functions, all local minima of the unconstrained parameterized problem are global, thus any minimizer leads to the maximum likelihood estimation for the density matrix. We also discuss some practical sources of errors.

quant-ph↗

arXiv2012

Euclidean distance geometry and applications

Euclidean distance geometry is the study of Euclidean geometry based on the concept of distance. This is useful in several applications where the input data consists of an incomplete set of distances, and the output is a set of points in Euclidean space that realizes the given distances. We survey some of the theory of Euclidean distance geometry and some of the most important applications: molecular conformation, localization of sensor networks and statics.

q-bio.QM↗

arXiv2011

Polynomial cases of the Discretizable Molecular Distance Geometry Problem

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 corresponding point pairs. When the graph represents the backbone of a protein, one can exploit the natural vertex order to show that the search space for feasible embeddings is discrete. The corresponding decision problem can be solved using a binary tree based search procedure which is exponential in the worst case. We discuss assumptions that bound the search tree width to a polynomial size.

cs.CG↗

arXiv2010

On the number of solutions of the discretizable molecular distance geometry problem

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 instances is always a power of two. We give a proof that this event happens with probability one.

cs.DM↗

arXiv2006

The Discretizable Molecular Distance Geometry Problem

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 usually satisfied in proteins, the MDGP can be formulated as a search in a discrete space. We call this MDGP subclass the Discretizable MDGP (DMDGP). We show that the DMDGP is \textbf{NP}-complete and we propose an algorithm, called Branch-and-Prune (BP), which solves the DMDGP exactly. The BP algorithm performs exceptionally well in terms of solution accuracy and can find all solutions to any DMDGP instance. We successfully test the BP algorithm on several randomly generated instances.

q-bio.BM↗