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Development of robust concrete mixes with a lower environmental impact is challenging due to natural variability in constituent materials and a multitude of possible combinations of mix proportions. Making reliable property predictions with…

Machine Learning · Computer Science 2023-04-25 Jessica C. Forsdyke , Bahdan Zviazhynski , Janet M. Lees , Gareth J. Conduit

This paper rigorously solves the challenging problem of recognizing periodic patterns under rigid motion in Euclidean geometry. The 3-dimensional case is practically important for justifying the novelty of solid crystalline materials…

Metric Geometry · Mathematics 2025-10-30 Olga Anosova , Daniel Widdowson , Vitaliy Kurlin

In this paper, a new kind of soft sets related with some common decision making problems in real life called central soft sets is introduced. Properties of some basic operations on central soft sets are shown. It is investigated that some…

Logic in Computer Science · Computer Science 2015-06-10 Xuechong Guan

Crystalline materials have atomic-scale fluctuations in their chemical composition that modulate various mesoscale properties. Establishing chemistry-microstructure relationships in such materials requires proper characterization of these…

Materials Science · Physics 2024-10-01 Killian Sheriff , Yifan Cao , Rodrigo Freitas

A geometric form of information theory allows for reasonable, i.e. probabilistic, evidence-ranking based, and generalized noise-level dependent, classifications of the crystallographic and quasicrystallographic symmetries in noisy digital…

Data Analysis, Statistics and Probability · Physics 2021-12-21 Peter Moeck

Artificial intelligence has shown remarkable success in materials discovery and property prediction, particularly for crystalline and polymer systems where material properties and structures are dominated by discrete graph representations.…

Machine Learning · Computer Science 2026-05-20 Xinyao Li , Hangwei Qian , Jingjing Li , Lei Zhu , Ivor Tsang

Crystal structure modeling with graph neural networks is essential for various applications in materials informatics, and capturing SE(3)-invariant geometric features is a fundamental requirement for these networks. A straightforward…

Machine Learning · Computer Science 2025-03-05 Yusei Ito , Tatsunori Taniai , Ryo Igarashi , Yoshitaka Ushiku , Kanta Ono

We describe a soft matter system of self-organized oblate micelles and plasmonic gold nanorods that exhibit a negative orientational order parameter. Because of anisotropic surface anchoring interactions, colloidal gold nanorods tend to…

Soft Condensed Matter · Physics 2016-12-30 Qingkun Liu , Bohdan Senyuk , Jianwei Tang , Taewoo Lee , Jun Qian , Sailing He , Ivan I. Smalyukh

Foundation models (FMs) pretrained on large datasets have become fundamental for various downstream machine learning tasks, in particular in scenarios where obtaining perfectly labeled data is prohibitively expensive. In this paper, we…

Machine Learning · Computer Science 2025-08-04 Ecem Bozkurt , Antonio Ortega

Some fluids are known to behave anomalously. The so-called structural anomaly which means that the fluid becomes less structures under isothermal compression is among the most frequently discussed ones. Several methods for quantifying the…

Soft Condensed Matter · Physics 2015-06-19 Yu. D. Fomin , B. A. Klumov , V. N. Ryzhov , E. N. Tsiok

The structural tunability and compositional diversity of multicomponent perovskite oxides have enabled their various applications, including catalysis and electronics. The cation ordering in these oxides, ranging from disordered (i.e.,…

Materials Science · Physics 2023-05-04 Jiayu Peng , James Damewood , Rafael Gómez-Bombarelli

Oriented object detection predicts orientation in addition to object location and bounding box. Precisely predicting orientation remains challenging due to angular periodicity, which introduces boundary discontinuity issues and symmetry…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Xavier Bou , Gabriele Facciolo , Rafael Grompone von Gioi , Jean-Michel Morel , Thibaud Ehret

Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordinates of the atoms, which are generally used to describe…

Due to a large discrepancy between theory and experiment, the electronic character of crystalline boron carbide B$_{13}$C$_{2}$ has been a controversial topic in the field of icosahedral boron-rich solids. We demonstrate that this…

Materials Science · Physics 2015-09-01 A. Ektarawong , S. I. Simak , L. Hultman , J. Birch , B. Alling

We analyze the properties of order parameters measuring synchronization and phase locking in complex oscillator networks. First, we review network order parameters previously introduced and reveal several shortcomings: none of the…

Adaptation and Self-Organizing Systems · Physics 2017-09-15 Malte Schröder , Marc Timme , Dirk Witthaut

Topological crystalline superconductors have attracted rapidly rising attention due to the possibility of higher-order phases, which support Majorana modes on boundaries in $d-2$ or lower dimensions. However, although the classification and…

Superconductivity · Physics 2021-03-24 Sheng-Jie Huang , Yi-Ting Hsu

We study fluctuations in a vertically oscillated layer of grains below the critical acceleration for the onset of ordered standing waves. As onset is approached, transient disordered waves with a characteristic length scale emerge and…

Condensed Matter · Physics 2009-11-10 Daniel I. Goldman , J. B. Swift , Harry L. Swinney

Ordinal time series analysis is based on the idea to map time series to ordinal patterns, i.e., order relations between the values of a time series and not the values themselves, as introduced in 2002 by C. Bandt and B. Pompe. Despite a…

Neurons and Cognition · Quantitative Biology 2023-02-03 Klaus Lehnertz

Novel materials drive advancements in fields ranging from energy storage to electronics, with crystal structure characterization forming a crucial yet challenging step in materials discovery. In this work, we introduce \emph{deCIFer}, an…

Shaping crystal structure with light is an enduring goal of physics and materials engineering. Here we present calculations in candidate materials selected by symmetry that allow light-induced spatiotemporal parametric instabilities. We…

Materials Science · Physics 2025-07-21 Daniel Kaplan , Pavel A. Volkov , Jennifer Coulter , Shiwei Zhang , Premala Chandra