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Polymorphism, the ability of a compound to crystallize in multiple distinct structures, plays a vital role in determining the physical, chemical, and functional properties of materials. Accurate identification and prediction of polymorphic…

Materials Science · Physics 2025-08-15 Sourin Dey , Nicholas Miklaucic , Sadman Sadeed Omee , Rongzhi Dong , Lai Wei , Qinyang Li , Nihang Fu , Jianjun Hu

Clustering is a widely used unsupervised learning method for finding structure in the data. However, the resulting clusters are typically presented without any guarantees on their robustness; slightly changing the used data sample or…

Machine Learning · Statistics 2017-01-02 Andreas Henelius , Kai Puolamäki , Henrik Boström , Panagiotis Papapetrou

We initiate a systematic study of the cohomology of cluster varieties. We introduce the Louise property for cluster algebras that holds for all acyclic cluster algebras, and for most cluster algebras arising from marked surfaces. For…

Algebraic Geometry · Mathematics 2022-03-09 Thomas Lam , David E. Speyer

We give an efficient algorithm for robustly clustering of a mixture of two arbitrary Gaussians, a central open problem in the theory of computationally efficient robust estimation, assuming only that the the means of the component Gaussians…

Data Structures and Algorithms · Computer Science 2020-06-02 He Jia , Santosh Vempala

It is known that strongly involutive polyhedra are closely related to self-dual maps where the antipodal function acts as duality isomorphism. Such a family of polyhedra appears in different combinatorial, topological and geometric…

Geometric Topology · Mathematics 2024-02-22 Javier Bracho , Eric Paulí Pérez , Luis Montejano , Jorge Luis Ramírez-Alfonsín

To understand the electronic shell- and supershell-structure in large metal clusters we have performed self-consistent calculations in the homogeneous, spherical jellium model for a variety of different materials. A scaling analysis of the…

Condensed Matter · Physics 2009-10-28 Erik Koch

Hierarchical mergers of black holes are proposed as a mechanism to explain the observations of binary black holes with component masses between $\sim 50M_{\odot}\hbox{--}130M_{\odot}$ by LIGO/Virgo, often referred to as "upper mass gap". We…

High Energy Astrophysical Phenomena · Physics 2025-01-23 Parthapratim Mahapatra , Debatri Chattopadhyay , Anuradha Gupta , Marc Favata , B. S. Sathyaprakash , K. G. Arun

Many recursive functions can be defined elegantly as the unique homomorphisms, between two algebras, two coalgebras, or one each, that are induced by some universal property of a distinguished structure. Besides the well-known applications…

Logic in Computer Science · Computer Science 2015-06-25 Baltasar Trancón y Widemann , Michael Hauhs

Generative approaches to clustering provide information on geometric properties of clusters, whereas discriminative approaches provide boundaries between clusters. Ideas from both approaches are incorporated to present a fully unsupervised,…

Machine Learning · Statistics 2026-04-28 Mackenzie R. Neal , Paul D. McNicholas , Arthur White

The structure of finite self-assembling systems depends sensitively on the number of constituent building blocks. Recently, it was demonstrated that hard sphere-like colloidal particles show a magic number effect when confined in spherical…

Unsupervised learning has gained prominence in the big data era, offering a means to extract valuable insights from unlabeled datasets. Deep clustering has emerged as an important unsupervised category, aiming to exploit the non-linear…

Machine Learning · Computer Science 2024-02-02 Georgios Vardakas , Ioannis Papakostas , Aristidis Likas

We define and study a class of finite topological spaces, which model the cell structure of a space obtained by gluing finitely many Euclidean convex polyhedral cells along congruent faces. We call these finite topological spaces,…

Algebraic Topology · Mathematics 2008-07-28 Tathagata Basak

Based on an expert systems approach, the issue of community detection can be conceptualized as a clustering model for networks. Building upon this further, community structure can be measured through a clustering coefficient, which is…

Social and Information Networks · Computer Science 2019-04-12 Roy Cerqueti , Giovanna Ferraro , Antonio Iovanella

Various coordinate rings of varieties appearing in the theory of Poisson Lie groups and Poisson homogeneous spaces belong to the large, axiomatically defined class of symmetric Poisson nilpotent algebras, e.g. coordinate rings of Schubert…

Commutative Algebra · Mathematics 2018-01-24 K. R. Goodearl , M. T. Yakimov

This paper continues the study of cluster algebras initiated in math.RT/0104151. Its main result is the complete classification of the cluster algebras of finite type, i.e., those with finitely many clusters. This classification turns out…

Rings and Algebras · Mathematics 2015-06-26 Sergey Fomin , Andrei Zelevinsky

We present several coupled-cluster calculations of ground and excited states of 4He and 16O employing methods from quantum chemistry. A comparison of coupled cluster results with the results of exact diagonalization of the hamiltonian in…

This paper studies the straight skeleton of polyhedra in three dimensions. We first address voxel-based polyhedra (polycubes), formed as the union of a collection of cubical (axis-aligned) voxels. We analyze the ways in which the skeleton…

Computational Geometry · Computer Science 2008-05-02 Gill Barequet , David Eppstein , Michael T. Goodrich , Amir Vaxman

We present a method for discovering dense packings of general convex hard particles and apply it to study the dense packing behavior of a one-parameter family of particles with tetrahedral symmetry representing a deformation of the ideal…

Soft Condensed Matter · Physics 2013-01-28 Yoav Kallus , Veit Elser

Density-functional theory based global geometry optimization is used to scrutinize the possibility of using endohedrally-doped hydrogenated Si clusters as building blocks for constructing highly magnetic materials. In contrast to the known…

Materials Science · Physics 2013-07-26 Dennis Palagin , Karsten Reuter

In this work, we introduce a novel methodology for divisive hierarchical clustering. Our divisive (``top-down'') approach is motivated by the fact that agglomerative hierarchical clustering (``bottom-up''), which is commonly used for…

Methodology · Statistics 2025-10-07 Jan O. Bauer
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