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Statistical matching is an effective method for estimating causal effects in which treated units are paired with control units with ``similar'' values of confounding covariates prior to performing estimation. In this way, matching helps…

Methodology · Statistics 2023-09-13 Sanjeewani Weerasingha , Michael J. Higgins

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert

Decoding algorithms are essential to fault-tolerant quantum-computing architectures. In this perspective we explore decoding algorithms for the surface code; a prototypical quantum low-density parity-check code that underlies many of the…

Quantum Physics · Physics 2024-02-29 Benjamin J. Brown

Higher-dimensional orthogonal packing problems have a wide range of practical applications, including packing, cutting, and scheduling. Previous efforts for exact algorithms have been unable to avoid structural problems that appear for…

Data Structures and Algorithms · Computer Science 2007-05-23 Sandor P. Fekete , Joerg Schepers

Evaluating the (dis)similarity of crystalline, disordered and molecular compounds is a critical step in the development of algorithms to navigate automatically the configuration space of complex materials. For instance, a structural…

Materials Science · Physics 2020-02-06 Sandip De , Albert P. Bartók , Gábor Csányi , Michele Ceriotti

Characteristic modes of a spherical shell are found analytically as spherical harmonics normalized to radiate unitary power and to fulfill specific boundary conditions. The presented closed-form formulas lead to a proposal of precise…

Computational Physics · Physics 2019-02-19 Miloslav Capek , Vit Losenicky , Lukas Jelinek , Mats Gustafsson

We present a method to match three dimensional shapes under non-isometric deformations, topology changes and partiality. We formulate the problem as matching between a set of pair-wise and point-wise descriptors, imposing a continuity prior…

Computer Vision and Pattern Recognition · Computer Science 2017-09-18 Zorah Lähner , Matthias Vestner , Amit Boyarski , Or Litany , Ron Slossberg , Tal Remez , Emanuele Rodolà , Alex Bronstein , Michael Bronstein , Ron Kimmel , Daniel Cremers

Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…

Materials Science · Physics 2024-04-02 Daisuke Kuroshima , Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search…

Materials Science · Physics 2020-05-07 Long Yang , Pavol Juhás , Maxwell W. Terban , Matthew G. Tucker , Simon J. L. Billinge

We elaborate on a general method that we recently introduced for characterizing the "natural" structures in complex physical systems via a multiscale network based approach for the data mining of such structures. The approach is based on…

Materials Science · Physics 2015-03-18 P. Ronhovde , S. Chakrabarty , D. Hu , M. Sahu , K. F. Kelton , N. A. Mauro , K . K. Sahu , Z. Nussinov

We introduce a new self-consistent structure finding algorithm that parses large scale cosmological structure into clusters, filaments and voids. This structure finding algorithm probes the cosmological structure at multiple scales and…

Cosmology and Nongalactic Astrophysics · Physics 2016-05-04 Ali Snedden , Lara Arielle Phillips , Grant J. Mathews , Jared Coughlin , In-Saeng Suh , Aparna Bhattacharya

Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…

Materials Science · Physics 2020-02-21 Félix Therrien , Peter Graf , Vladan Stevanović

The paper aims at proposing the first shape identification and classification algorithm in echolocation. The approach is based on first extracting geometric features from the reflected waves and then matching them with precomputed ones…

Numerical Analysis · Computer Science 2013-08-27 Habib Ammari , Minh Phuong Tran , Han Wang

For representing articulated shapes, as an alternative to the structured models based on graphs representing part hierarchy, we propose a pixel-based distinctness measure. Its spatial distribution yields a partitioning of the shape into a…

Computer Vision and Pattern Recognition · Computer Science 2018-07-31 Asli Genctav , Sibel Tari

We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms…

Soft Condensed Matter · Physics 2015-05-18 William L. Miller , Behnaz Bozorgui , Angelo Cacciuto

Structure identification in cosmological simulations plays an important role in analysing simulation outputs. The definition of these structures directly impacts the inferred properties derived from these simulations. This paper proposes a…

Astrophysics of Galaxies · Physics 2025-01-16 Robel Geda , Romain Teyssier

Computed tomography (CT) can capture volumes large enough to measure a statistically meaningful number of micron-sized particles with a sufficiently good resolution to allow for the analysis of individual particles. However, the development…

Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…

Soft Condensed Matter · Physics 2020-11-13 K. Koperwas , A. Grzybowski , M. Paluch

We survey the application of a relatively new branch of statistical physics--"community detection"-- to data mining. In particular, we focus on the diagnosis of materials and automated image segmentation. Community detection describes the…

Materials Science · Physics 2017-11-22 Z. Nussinov , P. Ronhovde , Dandan Hu , S. Chakrabarty , M. Sahu , Bo Sun , N. A. Mauro , K. K. Sahu

This paper introduces a new hybrid memory analysis, Structural Analysis, which combines an expressive shape analysis style abstract domain with efficient and simple points-to style transfer functions. Using data from empirical studies on…

Programming Languages · Computer Science 2012-01-06 Mark Marron