Transport Analysis of Infinitely Deep Neural Network

We investigated the feature map inside deep neural networks (DNNs) by tracking the transport map. We are interested in the role of depth (why do DNNs perform better than shallow models?) and the interpretation of DNNs (what do intermediate layers do?) Despite the rapid development in their application, DNNs remain analytically unexplained because the hidden layers are nested and the parameters are not faithful. Inspired by the integral representation of shallow NNs, which is the continuum limit of the width, or the hidden unit number, we developed the flow representation and transport analysis of DNNs. The flow representation is the continuum limit of the depth or the hidden layer number, and it is specified by an ordinary differential equation with a vector field. We interpret an ordinary DNN as a transport map or a Euler broken line approximation of the flow. Technically speaking, a dynamical system is a natural model for the nested feature maps. In addition, it opens a new way to the coordinate-free treatment of DNNs by avoiding the redundant parametrization of DNNs. Following Wasserstein geometry, we analyze a flow in three aspects: dynamical system, continuity equation, and Wasserstein gradient flow. A key finding is that we specified a series of transport maps of the denoising autoencoder (DAE). Starting from the shallow DAE, this paper develops three topics: the transport map of the deep DAE, the equivalence between the stacked DAE and the composition of DAEs, and the development of the double continuum limit or the integral representation of the flow representation. As partial answers to the research questions, we found that deeper DAEs converge faster and the extracted features are better; in addition, a deep Gaussian DAE transports mass to decrease the Shannon entropy of the data distribution

Kolmogorov Width Decay and Poor Approximators in Machine Learning: Shallow Neural Networks, Random Feature Models and Neural Tangent Kernels

We establish a scale separation of Kolmogorov width type between subspaces of a given Banach space under the condition that a sequence of linear maps converges much faster on one of the subspaces. The general technique is then applied to show that reproducing kernel Hilbert spaces are poor $L^2$-approximators for the class of two-layer neural networks in high dimension, and that multi-layer networks with small path norm are poor approximators for certain Lipschitz functions, also in the $L^2$-topology

Transportation analysis of denoising autoencoders: a novel method for analyzing deep neural networks

The feature map obtained from the denoising autoencoder (DAE) is investigated by determining transportation dynamics of the DAE, which is a cornerstone for deep learning. Despite the rapid development in its application, deep neural networks remain analytically unexplained, because the feature maps are nested and parameters are not faithful. In this paper, we address the problem of the formulation of nested complex of parameters by regarding the feature map as a transport map. Even when a feature map has different dimensions between input and output, we can regard it as a transportation map by considering that both the input and output spaces are embedded in a common high-dimensional space. In addition, the trajectory is a geometric object and thus, is independent of parameterization. In this manner, transportation can be regarded as a universal character of deep neural networks. By determining and analyzing the transportation dynamics, we can understand the behavior of a deep neural network. In this paper, we investigate a fundamental case of deep neural networks: the DAE. We derive the transport map of the DAE, and reveal that the infinitely deep DAE transports mass to decrease a certain quantity, such as entropy, of the data distribution. These results though analytically simple, shed light on the correspondence between deep neural networks and the Wasserstein gradient flows.Comment: Accepted at NIPS 2017 workshop on Optimal Transport & Machine Learning (OTML2017

A Convex Duality Framework for GANs

Generative adversarial network (GAN) is a minimax game between a generator mimicking the true model and a discriminator distinguishing the samples produced by the generator from the real training samples. Given an unconstrained discriminator able to approximate any function, this game reduces to finding the generative model minimizing a divergence measure, e.g. the Jensen-Shannon (JS) divergence, to the data distribution. However, in practice the discriminator is constrained to be in a smaller class $\mathcal{F}$ such as neural nets. Then, a natural question is how the divergence minimization interpretation changes as we constrain $\mathcal{F}$. In this work, we address this question by developing a convex duality framework for analyzing GANs. For a convex set $\mathcal{F}$, this duality framework interprets the original GAN formulation as finding the generative model with minimum JS-divergence to the distributions penalized to match the moments of the data distribution, with the moments specified by the discriminators in $\mathcal{F}$. We show that this interpretation more generally holds for f-GAN and Wasserstein GAN. As a byproduct, we apply the duality framework to a hybrid of f-divergence and Wasserstein distance. Unlike the f-divergence, we prove that the proposed hybrid divergence changes continuously with the generative model, which suggests regularizing the discriminator's Lipschitz constant in f-GAN and vanilla GAN. We numerically evaluate the power of the suggested regularization schemes for improving GAN's training performance

On the Convergence of Gradient Descent Training for Two-layer ReLU-networks in the Mean Field Regime

We describe a necessary and sufficient condition for the convergence to minimum Bayes risk when training two-layer ReLU-networks by gradient descent in the mean field regime with omni-directional initial parameter distribution. This article extends recent results of Chizat and Bach to ReLU-activated networks and to the situation in which there are no parameters which exactly achieve MBR. The condition does not depend on the initalization of parameters and concerns only the weak convergence of the realization of the neural network, not its parameter distribution

Gradient Descent Provably Optimizes Over-parameterized Neural Networks

One of the mysteries in the success of neural networks is randomly initialized first order methods like gradient descent can achieve zero training loss even though the objective function is non-convex and non-smooth. This paper demystifies this surprising phenomenon for two-layer fully connected ReLU activated neural networks. For an $m$ hidden node shallow neural network with ReLU activation and $n$ training data, we show as long as $m$ is large enough and no two inputs are parallel, randomly initialized gradient descent converges to a globally optimal solution at a linear convergence rate for the quadratic loss function. Our analysis relies on the following observation: over-parameterization and random initialization jointly restrict every weight vector to be close to its initialization for all iterations, which allows us to exploit a strong convexity-like property to show that gradient descent converges at a global linear rate to the global optimum. We believe these insights are also useful in analyzing deep models and other first order methods.Comment: ICLR 201

On Scalable and Efficient Computation of Large Scale Optimal Transport

Optimal Transport (OT) naturally arises in many machine learning applications, yet the heavy computational burden limits its wide-spread uses. To address the scalability issue, we propose an implicit generative learning-based framework called SPOT (Scalable Push-forward of Optimal Transport). Specifically, we approximate the optimal transport plan by a pushforward of a reference distribution, and cast the optimal transport problem into a minimax problem. We then can solve OT problems efficiently using primal dual stochastic gradient-type algorithms. We also show that we can recover the density of the optimal transport plan using neural ordinary differential equations. Numerical experiments on both synthetic and real datasets illustrate that SPOT is robust and has favorable convergence behavior. SPOT also allows us to efficiently sample from the optimal transport plan, which benefits downstream applications such as domain adaptation

The global optimum of shallow neural network is attained by ridgelet transform

We prove that the global minimum of the backpropagation (BP) training problem of neural networks with an arbitrary nonlinear activation is given by the ridgelet transform. A series of computational experiments show that there exists an interesting similarity between the scatter plot of hidden parameters in a shallow neural network after the BP training and the spectrum of the ridgelet transform. By introducing a continuous model of neural networks, we reduce the training problem to a convex optimization in an infinite dimensional Hilbert space, and obtain the explicit expression of the global optimizer via the ridgelet transform.Comment: under revie

Integral Equations and Machine Learning

As both light transport simulation and reinforcement learning are ruled by the same Fredholm integral equation of the second kind, reinforcement learning techniques may be used for photorealistic image synthesis: Efficiency may be dramatically improved by guiding light transport paths by an approximate solution of the integral equation that is learned during rendering. In the light of the recent advances in reinforcement learning for playing games, we investigate the representation of an approximate solution of an integral equation by artificial neural networks and derive a loss function for that purpose. The resulting Monte Carlo and quasi-Monte Carlo methods train neural networks with standard information instead of linear information and naturally are able to generate an arbitrary number of training samples. The methods are demonstrated for applications in light transport simulation

Measure, Manifold, Learning, and Optimization: A Theory Of Neural Networks

We present a formal measure-theoretical theory of neural networks (NN) built on probability coupling theory. Our main contributions are summarized as follows. * Built on the formalism of probability coupling theory, we derive an algorithm framework, named Hierarchical Measure Group and Approximate System (HMGAS), nicknamed S-System, that is designed to learn the complex hierarchical, statistical dependency in the physical world. * We show that NNs are special cases of S-System when the probability kernels assume certain exponential family distributions. Activation Functions are derived formally. We further endow geometry on NNs through information geometry, show that intermediate feature spaces of NNs are stochastic manifolds, and prove that "distance" between samples is contracted as layers stack up. * S-System shows NNs are inherently stochastic, and under a set of realistic boundedness and diversity conditions, it enables us to prove that for large size nonlinear deep NNs with a class of losses, including the hinge loss, all local minima are global minima with zero loss errors, and regions around the minima are flat basins where all eigenvalues of Hessians are concentrated around zero, using tools and ideas from mean field theory, random matrix theory, and nonlinear operator equations. * S-System, the information-geometry structure and the optimization behaviors combined completes the analog between Renormalization Group (RG) and NNs. It shows that a NN is a complex adaptive system that estimates the statistic dependency of microscopic object, e.g., pixels, in multiple scales. Unlike clear-cut physical quantity produced by RG in physics, e.g., temperature, NNs renormalize/recompose manifolds emerging through learning/optimization that divide the sample space into highly semantically meaningful groups that are dictated by supervised labels (in supervised NNs)