scholarly journals Scientific Machine Learning for Coarse-Grained Constitutive Models

2020 ◽  
Vol 47 ◽  
pp. 693-695
Author(s):  
David González ◽  
Francisco Chinesta ◽  
Elías Cueto
2019 ◽  
Vol 59 (10) ◽  
pp. 4278-4288 ◽  
Author(s):  
James L. McDonagh ◽  
Ardita Shkurti ◽  
David J. Bray ◽  
Richard L. Anderson ◽  
Edward O. Pyzer-Knapp

2019 ◽  
Vol 100 (3) ◽  
Author(s):  
Christian Hoffmann ◽  
Roberto Menichetti ◽  
Kiran H. Kanekal ◽  
Tristan Bereau

2019 ◽  
Vol 5 (3) ◽  
pp. eaav1190 ◽  
Author(s):  
Nicholas E. Jackson ◽  
Alec S. Bowen ◽  
Lucas W. Antony ◽  
Michael A. Webb ◽  
Venkatram Vishwanath ◽  
...  

Computational studies aimed at understanding conformationally dependent electronic structure in soft materials require a combination of classical and quantum-mechanical simulations, for which the sampling of conformational space can be particularly demanding. Coarse-grained (CG) models provide a means of accessing relevant time scales, but CG configurations must be back-mapped into atomistic representations to perform quantum-chemical calculations, which is computationally intensive and inconsistent with the spatial resolution of the CG models. A machine learning approach, denoted as artificial neural network electronic coarse graining (ANN-ECG), is presented here in which the conformationally dependent electronic structure of a molecule is mapped directly to CG pseudo-atom configurations. By averaging over decimated degrees of freedom, ANN-ECG accelerates simulations by eliminating backmapping and repeated quantum-chemical calculations. The approach is accurate, consistent with the CG spatial resolution, and can be used to identify computationally optimal CG resolutions.


Author(s):  
E. J. Jose Gonzalez ◽  
Chen Luo ◽  
Anshumali Shrivastava ◽  
Krishna Palem ◽  
Yongshik Moon ◽  
...  

Author(s):  
Paul Kaufmann ◽  
Kyrre Glette ◽  
Marco Platzner ◽  
Jim Torresen

The evolvable hardware (EHW) paradigm facilitates the construction of autonomous systems that can adapt to environmental changes and degradation of the computational resources. Extending the EHW principle to architectural adaptation, the authors study the capability of evolvable hardware classifiers to adapt to intentional run-time fluctuations in the available resources, i.e., chip area, in this work. To that end, the authors leverage the Functional Unit Row (FUR) architecture, a coarse-grained reconfigurable classifier, and apply it to two medical benchmarks, the Pima and Thyroid data sets from the UCI Machine Learning Repository. While quick recovery from architectural changes was already demonstrated for the FUR architecture, the authors also introduce two reconfiguration schemes helping to reduce the magnitude of degradation after architectural reconfiguration.


2022 ◽  
Vol 391 ◽  
pp. 114492
Author(s):  
Ari Frankel ◽  
Craig M. Hamel ◽  
Dan Bolintineanu ◽  
Kevin Long ◽  
Sharlotte Kramer

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