相关论文: Revisiting the Common Neighbour Analysis and the C…

Positive predictive value and negative predictive value are two widely used parameters to assess the clinical usefulness of a medical diagnostic test. When there are two diagnostic tests, it is recommendable to make a comparative assessment…

We propose that the phases of all vicinal surfaces can be characterized by four fixed lines, in the renormalization group sense, in a three-dimensional space of coupling constants. The observed configurations of several Si surfaces are…

In this paper, the estimation of parameters in the harmonic regression with cyclically dependent errors is addressed. Asymptotic properties of the least-squares estimates are analyzed by simulation experiments. By numerical simulation, we…

Penalized estimation principle is fundamental to high-dimensional problems. In the literature, it has been extensively and successfully applied to various models with only structural parameters. As a contrast, in this paper, we apply this…

We suggest two metrics for assessing the quality of atomistic configurations of disordered materials, both of which are based on quantifying the orientational distribution of neighbours around each atom in the configuration. The first…

One of the best ways of spotting previously undetected systematic errors in CMB experiments is to compare two independent observations of the same region. We derive a set of tools for comparing and combining CMB data sets, applicable also…

Standardness is a popular assumption in the literature on set estimation. It also appears in statistical approaches to topological data analysis, where it is common to assume that the data were sampled from a probability measure that…

Crystal-structure match (CSM), the atom-to-atom correspondence between two crystalline phases, is used extensively to describe solid-solid phase transition (SSPT) mechanisms. However, existing computational methods cannot account for all…

We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…

Inspired by recent work on neural subspaces and mode connectivity, we revisit parameter subspace sampling for shifted and/or interpolatable input distributions (instead of a single, unshifted distribution). We enforce a compressed geometric…

We propose a morphological multi-scale analysis of large-scale structures obtained by computer simulations and by observations. Structures are obtained at different scales by applying a wavelet transform on the observed and simulated data.…

Local Fourier analysis is a strong and well-established tool for analyzing the convergence of numerical methods for partial differential equations. The key idea of local Fourier analysis is to represent the occurring functions in terms of a…

The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…

Sequential Monte Carlo Samplers are a class of stochastic algorithms for Monte Carlo integral estimation w.r.t. probability distributions, which combine elements of Markov chain Monte Carlo methods and importance sampling/resampling…

Naive Bayes Nearest Neighbour (NBNN) is a simple and effective framework which addresses many of the pitfalls of K-Nearest Neighbour (KNN) classification. It has yielded competitive results on several computer vision benchmarks. Its central…

Self-organizing complex systems can be modeled using cellular automaton models. However, the parametrization of these models is crucial and significantly determines the resulting structural pattern. In this research, we introduce and…

This paper presents an approach to reducing the number of fundamental parameters in the Standard Model (SM) using genetic programming, a machine learning technique based on evolutionary algorithms. We outline the core principles of our…

The homography matrix is a key component in various vision-based robotic tasks. Traditionally, homography estimation algorithms are classified into feature- or intensity-based. The main advantages of the latter are their versatility,…

Modern data analysis depends increasingly on estimating models via flexible high-dimensional or nonparametric machine learning methods, where the identification of structural parameters is often challenging and untestable. In linear…

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…