arXiv subjects

Grégoire Montavon

Publications and source records attributed to Grégoire Montavon.

61 records · Page 4Linked to original sources

arXiv2016

Layer-wise Relevance Propagation for Neural Networks with Local Renormalization Layers

Layer-wise relevance propagation is a framework which allows to decompose the prediction of a deep neural network computed over a sample, e.g. an image, down to relevance scores for the single input dimensions of the sample such as subpixels of an image. While this approach can be applied directly to generalized linear mappings, product type non-linearities are not covered. This paper proposes an approach to extend layer-wise relevance propagation to neural networks with local renormalization layers, which is a very common product-type non-linearity in convolutional neural networks. We evaluate the proposed method for local renormalization layers on the CIFAR-10, Imagenet and MIT Places datasets.

cs.CV↗

arXiv2015

Explaining NonLinear Classification Decisions with Deep Taylor Decomposition

Nonlinear methods such as Deep Neural Networks (DNNs) are the gold standard for various challenging machine learning problems, e.g., image classification, natural language processing or human action recognition. Although these methods perform impressively well, they have a significant disadvantage, the lack of transparency, limiting the interpretability of the solution and thus the scope of application in practice. Especially DNNs act as black boxes due to their multilayer nonlinear structure. In this paper we introduce a novel methodology for interpreting generic multilayer neural networks by decomposing the network classification decision into contributions of its input elements. Although our focus is on image classification, the method is applicable to a broad set of input data, learning tasks and network architectures. Our method is based on deep Taylor decomposition and efficiently utilizes the structure of the network by backpropagating the explanations from the output to the input layer. We evaluate the proposed method empirically on the MNIST and ILSVRC data sets.

cs.LG↗

arXiv2015

Analyzing Classifiers: Fisher Vectors and Deep Neural Networks

Fisher Vector classifiers and Deep Neural Networks (DNNs) are popular and successful algorithms for solving image classification problems. However, both are generally considered `black box' predictors as the non-linear transformations involved have so far prevented transparent and interpretable reasoning. Recently, a principled technique, Layer-wise Relevance Propagation (LRP), has been developed in order to better comprehend the inherent structured reasoning of complex nonlinear classification models such as Bag of Feature models or DNNs. In this paper we (1) extend the LRP framework also for Fisher Vector classifiers and then use it as analysis tool to (2) quantify the importance of context for classification, (3) qualitatively compare DNNs against FV classifiers in terms of important image regions and (4) detect potential flaws and biases in data. All experiments are performed on the PASCAL VOC 2007 data set.

cs.CV↗

arXiv2015

Evaluating the visualization of what a Deep Neural Network has learned

Deep Neural Networks (DNNs) have demonstrated impressive performance in complex machine learning tasks such as image classification or speech recognition. However, due to their multi-layer nonlinear structure, they are not transparent, i.e., it is hard to grasp what makes them arrive at a particular classification or recognition decision given a new unseen data sample. Recently, several approaches have been proposed enabling one to understand and interpret the reasoning embodied in a DNN for a single test image. These methods quantify the ''importance'' of individual pixels wrt the classification decision and allow a visualization in terms of a heatmap in pixel/input space. While the usefulness of heatmaps can be judged subjectively by a human, an objective quality measure is missing. In this paper we present a general methodology based on region perturbation for evaluating ordered collections of pixels such as heatmaps. We compare heatmaps computed by three different methods on the SUN397, ILSVRC2012 and MIT Places data sets. Our main result is that the recently proposed Layer-wise Relevance Propagation (LRP) algorithm qualitatively and quantitatively provides a better explanation of what made a DNN arrive at a particular classification decision than the sensitivity-based approach or the deconvolution method. We provide theoretical arguments to explain this result and discuss its practical implications. Finally, we investigate the use of heatmaps for unsupervised assessment of neural network performance.

cs.CV↗

arXiv2015

Wasserstein Training of Boltzmann Machines

The Boltzmann machine provides a useful framework to learn highly complex, multimodal and multiscale data distributions that occur in the real world. The default method to learn its parameters consists of minimizing the Kullback-Leibler (KL) divergence from training samples to the Boltzmann model. We propose in this work a novel approach for Boltzmann training which assumes that a meaningful metric between observations is given. This metric can be represented by the Wasserstein distance between distributions, for which we derive a gradient with respect to the model parameters. Minimization of this new Wasserstein objective leads to generative models that are better when considering the metric and that have a cluster-like structure. We demonstrate the practical potential of these models for data completion and denoising, for which the metric between observations plays a crucial role.

stat.ML↗

arXiv2013

Machine Learning of Molecular Electronic Properties in Chemical Compound Space

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning (ML) model, trained on a data base of \textit{ab initio} calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity, and excitation energies. The ML model is based on a deep multi-task artificial neural network, exploiting underlying correlations between various molecular properties. The input is identical to \emph{ab initio} methods, \emph{i.e.} nuclear charges and Cartesian coordinates of all atoms. For small organic molecules the accuracy of such a "Quantum Machine" is similar, and sometimes superior, to modern quantum-chemical methods---at negligible computational cost.

physics.chem-ph↗

arXiv2012

Learning Feature Hierarchies with Centered Deep Boltzmann Machines

Deep Boltzmann machines are in principle powerful models for extracting the hierarchical structure of data. Unfortunately, attempts to train layers jointly (without greedy layer-wise pretraining) have been largely unsuccessful. We propose a modification of the learning algorithm that initially recenters the output of the activation functions to zero. This modification leads to a better conditioned Hessian and thus makes learning easier. We test the algorithm on real data and demonstrate that our suggestion, the centered deep Boltzmann machine, learns a hierarchy of increasingly abstract representations and a better generative model of data.

stat.ML↗