Related papers: Construction and sampling of alloy cluster expansi…
Understanding the formation and evolution of young star clusters requires quantitative statistical measures of their structure. We investigate the structures of observed and modelled star-forming clusters. By considering the different…
Cluster growth in a coagulating system of active particles (such as microswimmers in a solvent) is studied by theory and simulation. In contrast to passive systems, the net velocity of a cluster can have various scalings dependent on the…
Identifying a suitable set of descriptors for modeling physical systems often utilizes either deep physical insights or statistical methods such as compressed sensing. In statistical learning, a class of methods known as structured sparsity…
We present a procedure to solve the inverse Ising problem, that is to find the interactions between a set of binary variables from the measure of their equilibrium correlations. The method consists in constructing and selecting specific…
The explosion in the amount of data available for analysis often necessitates a transition from batch to incremental clustering methods, which process one element at a time and typically store only a small subset of the data. In this paper,…
Cluster expansion (CE) is effective in modeling the stability of metallic alloys, but sometimes cluster expansions fail. Failures are often attributed to atomic relaxation in the DFT-calculated data, but there is no metric for quantifying…
We present the clustering of galaxy clusters as a useful addition to the common set of cosmological observables. The clustering of clusters probes the large-scale structure of the Universe, extending galaxy clustering analysis to the…
The paper describes clustering problems from the combinatorial viewpoint. A brief systemic survey is presented including the following: (i) basic clustering problems (e.g., classification, clustering, sorting, clustering with an order over…
In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled…
We review some recent progress on applications of Cluster Expansions. We focus on a system of classical particles living in a continuous medium and interacting via a stable and tempered pair potential. We review the cluster expansion in…
Mixture models extend the toolbox of clustering methods available to the data analyst. They allow for an explicit definition of the cluster shapes and structure within a probabilistic framework and exploit estimation and inference…
A simple chemical enrichment model for cluster early-type galaxies is described in which the mechanisms considered in the evolutionary model are infall of primordial gas, outflows and a possible variation in the star formation efficiency.…
In cluster analysis, a common first step is to scale the data aiming to better partition them into clusters. Even though many different techniques have throughout many years been introduced to this end, it is probably fair to say that the…
We develop a systematic cluster expansion for dilute systems in the highly dilute phase. We first apply it to the calculation of the entropy of the K-satisfiability problem in the satisfiable phase. We derive a series expansion in the…
Coupled cluster theory is a vital cornerstone of electronic structure theory and is being applied to ever-larger systems. Stochastic approaches to quantum chemistry have grown in importance and offer compelling advantages over traditional…
The combined structural and electronic complexity of iron oxides poses many challenges to atomistic modeling. To leverage limitations in terms of the accessible length and time scales, one requires a physically justified interatomic…
Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…
Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate…
Depending on the pH value and salt concentration of Al2O3 suspensions different microstructures can form. Especially the clustered one is of major interest for industrial purposes as found in the production of ceramics. In this paper we…
Growth mixture models are an important tool for detecting group structure in repeated measures data. Unlike traditional clustering methods, they explicitly model the repeat measurements on observations, and the statistical framework they…