Conditional density estimation is a general framework for solving various problems in machine learning. Among existing methods, non-parametric and/or kernel-based methods are often difficult to use on large datasets, while methods based on neural networks usually make restrictive parametric assumptions on the probability densities. Here, we propose a novel method for estimating the conditional density based on score matching. In contrast to existing methods, we employ scalable neural networks, but do not make explicit parametric assumptions on densities. The key challenge in applying score matching to neural networks is computation of the first- and second-order derivatives of a model for the log-density. We tackle this challenge by developing a new neural-kernelized approach, which can be applied on large datasets with stochastic gradient descent, while the reproducing kernels allow for easy computation of the derivatives needed in score matching. We show that the neural-kernelized function approximator has universal approximation capability and that our method is consistent in conditional density estimation. We numerically demonstrate that our method is useful in high-dimensional conditional density estimation, and compares favourably with existing methods. Finally, we prove that the proposed method has interesting connections to two probabilistically principled frameworks of representation learning: Nonlinear sufficient dimension reduction and nonlinear independent component analysis.

We introduce backdrop, a flexible and simple-to-implement method, intuitively described as dropout acting only along the backpropagation pipeline. Backdrop is implemented via one or more masking layers which are inserted at specific points along the network. Each backdrop masking layer acts as the identity in the forward pass, but randomly masks parts of the backward gradient propagation. Intuitively, inserting a backdrop layer after any convolutional layer leads to stochastic gradients corresponding to features of that scale. Therefore, backdrop is well suited for problems in which the data have a multi-scale, hierarchical structure. Backdrop can also be applied to problems with non-decomposable loss functions where standard SGD methods are not well suited. We perform a number of experiments and demonstrate that backdrop leads to significant improvements in generalization.

We study the implicit regularization imposed by gradient descent for learning multi-layer homogeneous functions including feed-forward fully connected and convolutional deep neural networks with linear, ReLU or Leaky ReLU activation. We rigorously prove that gradient flow (i.e. gradient descent with infinitesimal step size) effectively enforces the differences between squared norms across different layers to remain invariant without any explicit regularization. This result implies that if the weights are initially small, gradient flow automatically balances the magnitudes of all layers. Using a discretization argument, we analyze gradient descent with positive step size for the non-convex low-rank asymmetric matrix factorization problem without any regularization. Inspired by our findings for gradient flow, we prove that gradient descent with step sizes $\eta_t = O\left(t^{-\left( \frac12+\delta\right)} \right)$ ($0<\delta\le\frac12$) automatically balances two low-rank factors and converges to a bounded global optimum. Furthermore, for rank-$1$ asymmetric matrix factorization we give a finer analysis showing gradient descent with constant step size converges to the global minimum at a globally linear rate. We believe that the idea of examining the invariance imposed by first order algorithms in learning homogeneous models could serve as a fundamental building block for studying optimization for learning deep models.

In this work, we propose a new training method for finding minimum weight norm solutions in over-parameterized neural networks (NNs). This method seeks to improve training speed and generalization performance by framing NN training as a constrained optimization problem wherein the sum of the norm of the weights in each layer of the network is minimized, under the constraint of exactly fitting training data. It draws inspiration from support vector machines (SVMs), which are able to generalize well, despite often having an infinite number of free parameters in their primal form, and from recent theoretical generalization bounds on NNs which suggest that lower norm solutions generalize better. To solve this constrained optimization problem, our method employs Lagrange multipliers that act as integrators of error over training and identify `support vector'-like examples. The method can be implemented as a wrapper around gradient based methods and uses standard back-propagation of gradients from the NN for both regression and classification versions of the algorithm. We provide theoretical justifications for the effectiveness of this algorithm in comparison to early stopping and $L_2$-regularization using simple, analytically tractable settings. In particular, we show faster convergence to the max-margin hyperplane in a shallow network (compared to vanilla gradient descent); faster convergence to the minimum-norm solution in a linear chain (compared to $L_2$-regularization); and initialization-independent generalization performance in a deep linear network. Finally, using the MNIST dataset, we demonstrate that this algorithm can boost test accuracy and identify difficult examples in real-world datasets.

We show that gradient descent on full-width linear convolutional networks of depth $L$ converges to a linear predictor related to the $\ell_{2/L}$ bridge penalty in the frequency domain. This is in contrast to linearly fully connected networks, where gradient descent converges to the hard margin linear support vector machine solution, regardless of depth.

Recent progress in learning theory has led to the emergence of provable algorithms for training certain families of neural networks. Under the assumption that the training data is sampled from a suitable generative model, the weights of the trained networks obtained by these algorithms recover (either exactly or approximately) the generative model parameters. However, the large majority of these results are only applicable to supervised learning architectures. In this paper, we complement this line of work by providing a series of results for unsupervised learning with neural networks. Specifically, we study the familiar setting of shallow autoencoder architectures with shared weights. We focus on three generative models for the data: (i) the mixture-of-gaussians model, (ii) the sparse coding model, and (iii) the non-negative sparsity model. All three models are widely studied in the machine learning literature. For each of these models, we rigorously prove that under suitable choices of hyperparameters, architectures, and initialization, the autoencoder weights learned by gradient descent % -based training can successfully recover the parameters of the corresponding model. To our knowledge, this is the first result that rigorously studies the dynamics of gradient descent for weight-sharing autoencoders. Our analysis can be viewed as theoretical evidence that shallow autoencoder modules indeed can be used as unsupervised feature training mechanisms for a wide range of datasets, and may shed insight on how to train larger stacked architectures with autoencoders as basic building blocks.

We show that Newton's method converges globally at a linear rate for objective functions whose Hessians are stable. This class of problems includes many functions which are not strongly convex, such as logistic regression. Our linear convergence result is (i) affine-invariant, and holds even if an (ii) approximate Hessian is used, and if the subproblems are (iii) only solved approximately. Thus we theoretically demonstrate the superiority of Newton's method over first-order methods, which would only achieve a sublinear $O(1/t^2)$ rate under similar conditions.

The Regularized Nonlinear Acceleration (RNA) algorithm is an acceleration method capable of improving the rate of convergence of many optimization schemes such as gradient descend, SAGA or SVRG. Until now, its analysis is limited to convex problems, but empirical observations shows that RNA may be extended to wider settings. In this paper, we investigate further the benefits of RNA when applied to neural networks, in particular for the task of image recognition on CIFAR10 and ImageNet. With very few modifications of exiting frameworks, RNA improves slightly the optimization process of CNNs, after training.

The vanilla method to train a Deep Neural Network (DNN) is to use the Stochastic Gradient Descent (SGD) method (a first-order local optimization technique). The gradient of the DNN loss function, represented as a directed computational graph, is calculated using the efficient backpropagation algorithm relying on the chain rule of derivatives (a particular case of automatic differentiation). The ordinary derivative calculus can be encompassed into a more general q-calculus [1, 2] by defining the Jackson's q-derivative (and gradient) as follows: D

In this paper, we study the problem of distributed multi-agent optimization over a network, where each agent possesses a local cost function that is smooth and strongly convex. The global objective is to find a common solution that minimizes the average of all cost functions. Assuming agents only have access to unbiased estimates of the gradients of their local cost functions, we consider a distributed stochastic gradient tracking method (DSGT) and a gossip-like stochastic gradient tracking method (GSGT). We show that, in expectation, the iterates generated by each agent are attracted to a neighborhood of the optimal solution, where they accumulate exponentially fast (under a constant stepsize choice). Under DSGT, the limiting (expected) error bounds on the distance of the iterates from the optimal solution decrease with the network size $n$, which is a comparable performance to a centralized stochastic gradient algorithm. Moreover, we show that when the network is well-connected, GSGT incurs lower communication cost than DSGT while maintaining a similar computational cost. Numerical example further demonstrates the effectiveness of the proposed methods.