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The discovery of new materials using crystal structure prediction (CSP) based on generative machine learning models has become a significant research topic in recent years. In this paper, we study invariance and continuity in the generative…

Machine Learning · Computer Science 2025-02-05 Yuji Tone , Masatoshi Hanai , Mitsuaki Kawamura , Kenjiro Taura , Toyotaro Suzumura

A wide variety of methods have been used to compute percolation thresholds. In lattice percolation, the most powerful of these methods consists of microcanonical simulations using the union-find algorithm to efficiently determine the…

Statistical Mechanics · Physics 2012-12-11 Stephan Mertens , Cristopher Moore

With the rapid advancement of computer technologies enabling fast calculations of complex structures, numerical methods have become a central tool in engineering sciences, while physical models have increasingly receded into the background.…

Computational Engineering, Finance, and Science · Computer Science 2026-04-29 Paula Apollonia Wunderlich , Gledson Rodrigo Tondo , Guido Morgenthal

The identification of nodes occupying important positions in a network structure is crucial for the understanding of the associated real-world system. Usually, betweenness centrality is used to evaluate a node capacity to connect different…

The most fundamental model of a molecule is a cloud of unordered atoms, even without chemical bonds that can depend on thresholds for distances and angles. The strongest equivalence between clouds of atoms is rigid motion, which is a…

Computational Geometry · Computer Science 2023-11-01 Vitaliy Kurlin

We refine the bit complexity analysis of an algorithm for the computation of at least one point per connected component of a smooth real algebraic set, yielding exponential speedup (with respect to the number of variables) compared to prior…

Symbolic Computation · Computer Science 2025-08-29 Jesse Elliott , Mark Giesbrecht , Edern Gillot , Mohab Safey El Din , Éric Schost

The first step in investigating fractional difference maps, which do not have periodic points except fixed points, is to find asymptotically periodic points and bifurcation points and draw asymptotic bifurcation diagrams. Recently derived…

Dynamical Systems · Mathematics 2025-01-28 Mark Edelman

An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…

Condensed Matter · Physics 2007-05-23 Veit Elser

Consider the {$\ell_{\alpha}$} regularized linear regression, also termed Bridge regression. For $\alpha\in (0,1)$, Bridge regression enjoys several statistical properties of interest such as sparsity and near-unbiasedness of the estimates…

Methodology · Statistics 2023-10-10 Jorge Loría , Anindya Bhadra

The interleaving distance is arguably the most prominent distance measure in topological data analysis. In this paper, we provide bounds on the computational complexity of determining the interleaving distance in several settings. We show…

Computational Geometry · Computer Science 2018-05-01 Håvard Bakke Bjerkevik , Magnus Bakke Botnan

The evolution of the liquid bridge formed between two coalescing sessile yield-stress drops is studied experimentally. We find that the height of the bridge evolves similar to a viscous Newtonian fluid, $h_0\sim t$, before arresting at long…

Fluid Dynamics · Physics 2022-03-30 Vanessa R. Kern , Torstein Sæter , Andreas Carlson

Stratified digraphs are popular models for feedforward neural networks. However, computation of their path homologies has been limited to low dimensions due to high computational complexity. A recursive algorithm is proposed to compute…

Computational Geometry · Computer Science 2024-12-12 Zhengtong Zhu , Zhiyi Chi

We investigate the longevity of broad bridge features in position-velocity diagrams that appear as a result of cloud-cloud collisions. Broad bridges will have a finite lifetime due to the action of feedback, conversion of gas into stars and…

Astrophysics of Galaxies · Physics 2015-10-14 T. J. Haworth , K. Shima , E. J. Tasker , Y. Fukui , K. Torii , J. E. Dale , K. Takahira , A. Habe

We compare the various chirality measures most widely used in the literature to quantify chiral symmetry in extended solids, i.e., the continuous chirality measure, the Hausdorff distance, and the angular momentum. By studying these…

Materials Science · Physics 2026-02-09 Fernando Gómez-Ortiz , Mauro Fava , Emma E. McCabe , Aldo H. Romero , Eric Bousquet

In turbulent flows, energy production is associated with highly organized structures, known as coherent structures. Since these structures are three-dimensional, their detection remains challenging in the most common situation, when…

Fluid Dynamics · Physics 2023-09-12 Subharthi Chowdhuri , Tirtha Banerjee

As an example for the fast calculation of distributional parameters of Gaussian processes, we propose a new Monte Carlo algorithm for the computation of quantiles of the supremum norm of weighted Brownian bridges. As it is known, the…

Computation · Statistics 2021-01-05 Jürgen Franke , Mario Hefter , André Herzwurm , Klaus Ritter , Stefanie Schwaar

We propose an iterative proposal to estimate critical points for statistical models based on configurations by combing machine-learning tools. Firstly, phase scenarios and preliminary boundaries of phases are obtained by…

Disordered Systems and Neural Networks · Physics 2019-10-23 X. L. Zhao , L. B. Fu

Age estimation is an important yet very challenging problem in computer vision. Existing methods for age estimation usually apply a divide-and-conquer strategy to deal with heterogeneous data caused by the non-stationary aging process.…

Computer Vision and Pattern Recognition · Computer Science 2019-04-09 Wanhua Li , Jiwen Lu , Jianjiang Feng , Chunjing Xu , Jie Zhou , Qi Tian

Many complex systems occurring in the natural or social sciences or economics are frequently described on a microscopic level, e.g., by lattice- or agent-based models. To analyze the states of such systems and their bifurcation structure on…

Adaptation and Self-Organizing Systems · Physics 2020-10-07 Clemens Willers , Uwe Thiele , Andrew J. Archer , David J. B. Lloyd , Oliver Kamps

The stable torsion length in a group is the stable word length with respect to the set of all torsion elements. We show that the stable torsion length vanishes in crystallographic groups. We then give a linear programming algorithm to…

Group Theory · Mathematics 2022-01-04 Chloe I. Avery , Lvzhou Chen