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Register a new userConvolutional networks and learning invariant to homogeneous multiplicative scalings
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Mark Tygert
Publication date
2015
fields
Informatics Engineering
and research's language is
English
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The conventional classification schemes -- notably multinomial logistic regression -- used in conjunction with convolutional networks (convnets) are classical in statistics, designed without consideration for the usual coupling with convnets, stochastic gradient descent, and backpropagation. In the specific application to supervised learning for convnets, a simple scale-invariant classification stage turns out to be more robust than multinomial logistic regression, appears to result in slightly lower errors on several standard test sets, has similar computational costs, and features precise control over the actual rate of learning. Scale-invariant means that multiplying the input values by any nonzero scalar leaves the output unchanged.
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We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes standard molecular feature extraction methods based on circular fingerprints. We show that these data-driven features are more interpretable, and have better predictive performance on a variety of tasks.
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