Abstract

A matrix with zero diagonal is called a Euclidean distance matrix when the matrix values are measurements of distances between points in a Euclidean space. Because of data errors such a matrix may not be exactly Euclidean and it is desirable in many applications to find the best Euclidean matrix which approximates the non-Euclidean matrix. In this paper the problem is formulated as a smooth unconstrained minimization problem, for which rapid convergence can be obtained. Comparative numerical results are reported.

Highlights

  • 1 Introduction Symmetric matrices with non-negative off-diagonal elements and zero diagonal elements arise as data in many experimental sciences

  • The aim of this paper is to study a new method for solving the Euclidean distance matrix problem and compare it with other older methods [ ]

  • An important application arises in the conformation of molecular structures from nuclear magnetic resonance data

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Summary

Introduction

Symmetric matrices with non-negative off-diagonal elements and zero diagonal elements arise as data in many experimental sciences This occurs when the values are measurements of squared distances between points in a Euclidean space (e.g. atoms, stars, cities). An important factor is the determination of the multiplicity of the zero eigenvalues, or alternatively the rank of the matrix at the solution. If this rank is known it is usually possible to solve the problem by conventional techniques. Semidefinite programming optimizes a linear function subject to a positive semidefinite matrix It is a convex programming problem since the objective and constraints are convex.

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