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This paper presents a new distance geometry algorithm for calculating atomic coordinates from estimates of the interatomic distances, which maintains the positions of the atoms in a known rigid substructure. Given an $M \times 3$ matrix of…

Numerical Analysis · Computer Science 2018-05-01 Igor Najfeld , Timothy F. Havel

Domain specific (dis-)similarity or proximity measures used e.g. in alignment algorithms of sequence data, are popular to analyze complex data objects and to cover domain specific data properties. Without an underlying vector space these…

Data Structures and Algorithms · Computer Science 2014-11-07 Andrej Gisbrecht , Frank-Michael Schleif

We study low-rank matrix regression in settings where matrix-valued predictors and scalar responses are observed across multiple individuals. Rather than assuming a fully homogeneous coefficient matrices across individuals, we accommodate…

Methodology · Statistics 2025-10-28 Di Wang , Xiaoyu Zhang , Guodong Li , Wenyang Zhang

This paper deals with the reconstruction of a discrete measure $\gamma_Z$ on $\mathbb{R}^d$ from the knowledge of its pushforward measures $P_i\#\gamma_Z$ by linear applications $P_i: \mathbb{R}^d \rightarrow \mathbb{R}^{d_i}$ (for instance…

Probability · Mathematics 2025-08-20 Eloi Tanguy , Rémi Flamary , Julie Delon

The distance matrix of a dataset $X$ of $n$ points with respect to a distance function $f$ represents all pairwise distances between points in $X$ induced by $f$. Due to their wide applicability, distance matrices and related families of…

Data Structures and Algorithms · Computer Science 2022-10-28 Piotr Indyk , Sandeep Silwal

The accurate detection of small deviations in given density matrices is important for quantum information processing. Here we propose a new method based on the concept of data mining. We demonstrate that the proposed method can more…

Quantum Physics · Physics 2015-06-18 Satoshi Hara , Takafumi Ono , Ryo Okamoto , Takashi Washio , Shigeki Takeuchi

With the emergence of Artificial Intelligence, numerical algorithms are moving towards more approximate approaches. For methods such as PCA or diffusion maps, it is necessary to compute eigenvalues of a large matrix, which may also be dense…

Numerical Analysis · Mathematics 2023-11-17 Keerthi Gaddameedi , Severin Reiz , Tobias Neckel , Hans-Joachim Bungartz

Pseudospectral analysis is fundamental for quantifying the sensitivity and transient behavior of nonnormal matrices, yet its computational cost scales cubically with dimension, rendering it prohibitive for large-scale systems. While…

Numerical Analysis · Mathematics 2026-02-03 Vladimir R. Kostic , Dragana Lj. Cvetkovic , Ljiljana Cvetkovic

Manifolds discovered by machine learning models provide a compact representation of the underlying data. Geodesics on these manifolds define locally length-minimising curves and provide a notion of distance, which are key for reduced-order…

Machine Learning · Computer Science 2023-05-25 Daniel Kelshaw , Luca Magri

A Euclidean distance matrix $D(\alpha)$ is defined by $D_{ij}=(\alpha_i-\alpha_j)^2$, where $\alpha=(\alpha_1,\ldots,\alpha_n)$ is a real vector. We prove that $D(\alpha)$ cannot be written as a sum of $\left[2\sqrt{n}-2\right]$ nonnegative…

Combinatorics · Mathematics 2016-07-28 Yaroslav Shitov

Large-scale eigenvalue problems pose a significant challenge to classical computers. While there are efficient quantum algorithms for unitary or Hermitian matrices, eigenvalue problems for non-normal matrices remain open in quantum…

Quantum Physics · Physics 2026-03-25 Honghong Lin , Yun Shang

We study the differential structure of the set of real logarithms of a non-singular real matrix, under the assumption that the matrix is either semi-simple or orthogonal.

Differential Geometry · Mathematics 2022-09-14 Donato Pertici

A distance measure is presented between two unitary propagators of quantum systems of differing dimensions along with a corresponding method of computation. A typical application is to compare the propagator of the actual (real) process…

Quantum Physics · Physics 2007-05-23 Robert L. Kosut , Matthew Grace , Constantin Brif , Herschel Rabitz

We consider the problem of finding nonzero eigenvalues and the corresponding eigenvectors of a matrix $AA^{\top}$, where $A$ is a special incidence matrix; This matrix can equivalently be defined based on a match relation between some…

Combinatorics · Mathematics 2016-05-24 M. Mohammad-Noori , N. Ghareghani , M. Ghandi

A generalization of the Wasserstein metric, the integrated transportation distance, establishes a novel distance between probability kernels of Markov systems. This metric serves as the foundation for an efficient approximation technique,…

Machine Learning · Computer Science 2023-12-07 Zhengqi Lin , Andrzej Ruszczynski

Consider an $n\times n$ matrix polynomial $P(\lambda)$ and a set $\Sigma$ consisting of $k \le n$ distinct complex numbers. In this paper, a (weighted) spectral norm distance from $P(\lambda)$ to the matrix polynomials whose spectra include…

Numerical Analysis · Mathematics 2015-05-26 E. Kokabifar , G. B. Loghmani , P. J. Psarrakos , S. M. Karbassi

We study the problem of finding, in a real algebraic matrix group, the matrix closest to a given data matrix. We do so from the algebro-geometric perspective of Euclidean distance degrees. We recover several classical results; and among the…

Optimization and Control · Mathematics 2017-10-10 Jasmijn A. Baaijens , Jan Draisma

We present an algorithm to compute the Jordan chain of a nearly defective matrix with a $2\times2$ Jordan block. The algorithm is based on an inverse-iteration procedure and only needs information about the invariant subspace corresponding…

Numerical Analysis · Mathematics 2017-04-25 Felipe Hernández , Adi Pick , Steven G. Johnson

This paper is on the normal approximation of singular subspaces when the noise matrix has i.i.d. entries. Our contributions are three-fold. First, we derive an explicit representation formula of the empirical spectral projectors. The…

Statistics Theory · Mathematics 2019-07-29 Dong Xia

The pseudospectrum of a linear time-invariant system is the set in the complex plane consisting of all the roots of the characteristic equation when the system matrices are subjected to all possible perturbations with a given upper bound.…

Systems and Control · Electrical Eng. & Systems 2020-03-19 Suat Gumussoy , Wim Michiels