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      Machine-learned multi-system surrogate models for materials prediction

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          Generalized Gradient Approximation Made Simple

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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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              Deep learning.

              Deep learning allows computational models that are composed of multiple processing layers to learn representations of data with multiple levels of abstraction. These methods have dramatically improved the state-of-the-art in speech recognition, visual object recognition, object detection and many other domains such as drug discovery and genomics. Deep learning discovers intricate structure in large data sets by using the backpropagation algorithm to indicate how a machine should change its internal parameters that are used to compute the representation in each layer from the representation in the previous layer. Deep convolutional nets have brought about breakthroughs in processing images, video, speech and audio, whereas recurrent nets have shone light on sequential data such as text and speech.
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                Author and article information

                Contributors
                Journal
                npj Computational Materials
                npj Comput Mater
                Springer Science and Business Media LLC
                2057-3960
                December 2019
                April 18 2019
                December 2019
                : 5
                : 1
                Article
                10.1038/s41524-019-0189-9
                cbd1ac41-1e3f-44c9-a018-924f8fdbb379
                © 2019

                https://creativecommons.org/licenses/by/4.0

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