Corpus ID: 237513792

Sparse Expansions of Multicomponent Oxide Configuration Energy Using Coherency&Redundancy

  title={Sparse Expansions of Multicomponent Oxide Configuration Energy Using Coherency\&Redundancy},
  author={Luis Barroso-Luque and Julia H. Yang and Gerbrand Ceder},
Compressed sensing has become a widely accepted paradigm to construct high dimensional cluster expansion models used for statistical mechanical studies of atomic configuration in complex multicomponent crystalline materials. However, strict sampling requirements necessary to obtain minimal coherence measurements for compressed sensing to guarantee accurate estimation of model parameters are difficult and in some cases impossible to satisfy due to the inability of physical systems to access… Expand

Figures and Tables from this paper


Robust cluster expansion of multicomponent systems using structured sparsity
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, aExpand
Cluster expansion made easy with Bayesian compressive sensing
Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, USA(Dated: July 10, 2013)Long-standing challenges in cluster expansion (CE) construction include choosing how toExpand
Compressive sensing as a paradigm for building physics models
The widely accepted intuition that the important properties of solids are determined by a few key variables underpins many methods in physics. Though this reductionist paradigm is applicable in manyExpand
Compressed Sensing with Coherent and Redundant Dictionaries
A condition on the measurement/sensing matrix is introduced, which is a natural generalization of the now well-known restricted isometry property, and which guarantees accurate recovery of signals that are nearly sparse in (possibly) highly overcomplete and coherent dictionaries. Expand
An Introduction to Compressed Sensing
This book aims to provide an in-depth initiation to the field of compressed sensing and specific topics include material on graph theory and the design of binary-measurement matrices, matrix recovery and completion, and optimization algorithms. Expand
Generalized cluster description of multicomponent systems
A general formalism for the description of configurational cluster functions in multicomponent systems is developed. The approach is based on the description of configurational cluster functions inExpand
Cluster Expansions for Thermodynamics and Kinetics of Multicomponent Alloys
Cluster expansions have proven a very useful tool to model thermodynamics and kinetics of substitutional alloys in metallic, ionic, and even covalently bonded systems. Cluster expansions are usuallyExpand
Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
A number of new functionalities have been added to the Alloy Theoretic Automated Toolkit (ATAT) since it was last reviewed in this journal in 2002. ATAT can now handle multicomponent multisublatticeExpand
Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems.
  • Atsuto Seko, I. Tanaka
  • Materials Science, Physics
  • Journal of physics. Condensed matter : an Institute of Physics journal
  • 2014
The contribution of the truncation of long-range ECIs to the accuracy of CE is quantitatively discussed and the prediction error of the long-period structures can be improved both by increasing the number of pairs and by also considering the effective screened electrostatic energy. Expand
An L$_0$L$_1$-norm compressive sensing paradigm for the construction of sparse predictive lattice models using mixed integer quadratic programming
Author(s): Huang, Wenxuan; Urban, Alexander; Xiao, Penghao; Rong, Ziqin; Das, Hena; Chen, Tina; Artrith, Nongnuch; Toumar, Alexandra; Ceder, Gerbrand | Abstract: First-principles based lattice modelsExpand