This paper presents OptNet, a network architecture that integrates optimization problems (here, specifically in the form of quadratic programs) as individual layers in larger end-to-end trainable deep networks. These layers encode constraints and complex dependencies between the hidden states that traditional convolutional and fully-connected layers often cannot capture. In this paper, we explore the foundations for such an architecture: we show how techniques from sensitivity analysis, bilevel optimization, and implicit differentiation can be used to exactly differentiate through these layers and with respect to layer parameters; we develop a highly efficient solver for these layers that exploits fast GPU-based batch solves within a primal-dual interior point method, and which provides backpropagation gradients with virtually no additional cost on top of the solve; and we highlight the application of these approaches in several problems. In one notable example, we show that the method is capable of learning to play mini-Sudoku (4x4) given just input and output games, with no a priori information about the rules of the game; this highlights the ability of our architecture to learn hard constraints better than other neural architectures.
The argmin operation over an unconstrained objective can be approximated by a first-order gradient-based method and unrolled. These architectures typically introduce an optimization procedure such as gradient descent into the inference procedure. This is done in . The optimization procedure is unrolled automatically or manually @cite_9 to obtain derivatives during training that incorporate the effects of these in-the-loop optimization procedures. However, unrolling the computation of a method like gradient descent typically requires a substantially larger network, and adds substantially to the computational complexity of the network.
@cite_9
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We formulate gradient-based Markov chain Monte Carlo (MCMC) sampling as optimization on the space of probability measures, with Kullback-Leibler (KL) divergence as the objective function. We show that an underdamped form of the Langevin algorithm perform accelerated gradient descent in this metric. To characterize the convergence of the algorithm, we construct a Lyapunov functional and exploit hypocoercivity of the underdamped Langevin algorithm. As an application, we show that accelerated rates can be obtained for a class of nonconvex functions with the Langevin algorithm. The stochastic gradient descent (SGD) method and its variants are algorithms of choice for many Deep Learning tasks. These methods operate in a small-batch regime wherein a fraction of the training data, say @math - @math data points, is sampled to compute an approximation to the gradient. It has been observed in practice that when using a larger batch there is a degradation in the quality of the model, as measured by its ability to generalize. We investigate the cause for this generalization drop in the large-batch regime and present numerical evidence that supports the view that large-batch methods tend to converge to sharp minimizers of the training and testing functions - and as is well known, sharp minima lead to poorer generalization. In contrast, small-batch methods consistently converge to flat minimizers, and our experiments support a commonly held view that this is due to the inherent noise in the gradient estimation. We discuss several strategies to attempt to help large-batch methods eliminate this generalization gap. Many recent applications in machine learning and data fitting call for the algorithmic solution of structured smooth convex optimization problems. Although the gradient descent method is a natural choice for this task, it requires exact gradient computations and hence can be inefficient when the problem size is large or the gradient is difficult to evaluate. Therefore, there has been much interest in inexact gradient methods (IGMs), in which an efficiently computable approximate gradient is used to perform the update in each iteration. Currently, non-asymptotic linear convergence results for IGMs are typically established under the assumption that the objective function is strongly convex, which is not satisfied in many applications of interest; while linear convergence results that do not require the strong convexity assumption are usually asymptotic in nature. In this paper, we combine the best of these two types of results by developing a framework for analysing the non-asymptotic convergence rates of ... We study the implicit bias of gradient descent methods in solving a binary classification problem over a linearly separable dataset. The classifier is described by a nonlinear ReLU model and the objective function adopts the exponential loss function. We first characterize the landscape of the loss function and show that there can exist spurious asymptotic local minima besides asymptotic global minima. We then show that gradient descent (GD) can converge to either a global or a local max-margin direction, or may diverge from the desired max-margin direction in a general context. For stochastic gradient descent (SGD), we show that it converges in expectation to either the global or the local max-margin direction if SGD converges. We further explore the implicit bias of these algorithms in learning a multi-neuron network under certain stationary conditions, and show that the learned classifier maximizes the margins of each sample pattern partition under the ReLU activation. In this paper, we study the problem of sampling from a given probability density function that is known to be smooth and strongly log-concave. We analyze several methods of approximate sampling based on discretizations of the (highly overdamped) Langevin diffusion and establish guarantees on its error measured in the Wasserstein-2 distance. Our guarantees improve or extend the state-of-the-art results in three directions. First, we provide an upper bound on the error of the first-order Langevin Monte Carlo (LMC) algorithm with optimized varying step-size. This result has the advantage of being horizon free (we do not need to know in advance the target precision) and to improve by a logarithmic factor the corresponding result for the constant step-size. Second, we study the case where accurate evaluations of the gradient of the log-density are unavailable, but one can have access to approximations of the aforementioned gradient. In such a situation, we consider both deterministic and stochastic approximations of the gradient and provide an upper bound on the sampling error of the first-order LMC that quantifies the impact of the gradient evaluation inaccuracies. Third, we establish upper bounds for two versions of the second-order LMC, which leverage the Hessian of the log-density. We nonasymptotic guarantees on the sampling error of these second-order LMCs. These guarantees reveal that the second-order LMC algorithms improve on the first-order LMC in ill-conditioned settings. The performance of many machine learning algorithms depends crucially on the hyperparameter settings, especially in Deep Learning. Manually tuning the hyperparameters is laborious and time consuming. To address this issue, Bayesian optimization (BO) methods and their extensions have been proposed to optimize the hyperparameters automatically. However, they still suffer from highly computational expense when applying to deep generative models (DGMs) due to their strategy of the black-box function optimization. This paper provides a new hyperparameter optimization procedure at the pre-training phase of the DGMs, where we avoid combining all layers as one black-box function by taking advantage of the layer-by-layer learning strategy. Following this procedure, we are able to optimize multiple hyperparameters in an adaptive way by using Gaussian process. In contrast to the traditional BO methods, which mainly focus on the supervised models, the pre-training procedure is unsupervised where there is no validation error can be used. To alleviate this problem, this paper proposes a new holdout loss, the free energy gap, which takes into account both factors of the model fitting and over-fitting. The empirical evaluations demonstrate that our method not only speeds up the process of hyperparameter optimization, but also improves the performances of DGMs significantly in both the supervised and unsupervised learning tasks. Second-order optimization methods such as natural gradient descent have the potential to speed up training of neural networks by correcting for the curvature of the loss function. Unfortunately, the exact natural gradient is impractical to compute for large models, and most approximations either require an expensive iterative procedure or make crude approximations to the curvature. We present Kronecker Factors for Convolution (KFC), a tractable approximation to the Fisher matrix for convolutional networks based on a structured probabilistic model for the distribution over backpropagated derivatives. Similarly to the recently proposed Kronecker-Factored Approximate Curvature (K-FAC), each block of the approximate Fisher matrix decomposes as the Kronecker product of small matrices, allowing for efficient inversion. KFC captures important curvature information while still yielding comparably efficient updates to stochastic gradient descent (SGD). We show that the updates are invariant to commonly used reparameterizations, such as centering of the activations. In our experiments, approximate natural gradient descent with KFC was able to train convolutional networks several times faster than carefully tuned SGD. Furthermore, it was able to train the networks in 10-20 times fewer iterations than SGD, suggesting its potential applicability in a distributed setting. To generalize the descent methods of unconstrained optimization to the constrained case, we define intrinsically the gradient field of the objective function on the constraint manifold and analyze descent methods along geodesics, including the gradient projection and reduced gradient methods for special choices of coordinate systems. In particular, we generalize the quasi-Newton methods and establish their superlinear convergence; we show that they only require the updating of a reduced size matrix. In practice, the geodesic search is approximated by a tangent step followed by a constraints restoration or by a simple arc search again followed by a restoration step. We proposed earlier an optimization approach to flow control where the objective is to maximize the aggregate source utility over their transmission rates. The control mechanism is derived as a gradient projection algorithm to solve the dual problem. In this paper we extend the algorithm to a scaled gradient projection. The diagonal scaling matrix approximates the diagonal terms of the Hessian and can be computed at individual links using the same information required by the unscaled algorithm. We prove the convergence of the scaled algorithm and present simulation results that illustrate its superiority to the unscaled algorithm. With the fast development of deep learning, it has become common to learn big neural networks using massive training data. Asynchronous Stochastic Gradient Descent (ASGD) is widely adopted to fulfill this task for its efficiency, which is, however, known to suffer from the problem of delayed gradients. That is, when a local worker adds its gradient to the global model, the global model may have been updated by other workers and this gradient becomes "delayed". We propose a novel technology to compensate this delay, so as to make the optimization behavior of ASGD closer to that of sequential SGD. This is achieved by leveraging Taylor expansion of the gradient function and efficient approximation to the Hessian matrix of the loss function. We call the new algorithm Delay Compensated ASGD (DC-ASGD). We evaluated the proposed algorithm on CIFAR-10 and ImageNet datasets, and the experimental results demonstrate that DC-ASGD outperforms both synchronous SGD and asynchronous SGD, and nearly approaches the performance of sequential SGD. Many computer vision problems (e.g., camera calibration, image alignment, structure from motion) are solved through a nonlinear optimization method. It is generally accepted that 2nd order descent methods are the most robust, fast and reliable approaches for nonlinear optimization of a general smooth function. However, in the context of computer vision, 2nd order descent methods have two main drawbacks: (1) The function might not be analytically differentiable and numerical approximations are impractical. (2) The Hessian might be large and not positive definite. To address these issues, this paper proposes a Supervised Descent Method (SDM) for minimizing a Non-linear Least Squares (NLS) function. During training, the SDM learns a sequence of descent directions that minimizes the mean of NLS functions sampled at different points. In testing, SDM minimizes the NLS objective using the learned descent directions without computing the Jacobian nor the Hessian. We illustrate the benefits of our approach in synthetic and real examples, and show how SDM achieves state-of-the-art performance in the problem of facial feature detection. The code is available at www.humansensing.cs. cmu.edu intraface. Nesterov's accelerated gradient descent (AGD), an instance of the general family of momentum methods,'' provably achieves faster convergence rate than gradient descent (GD) in the convex setting. While these methods are widely used in modern nonconvex applications, including training of deep neural networks, whether they are provably superior to GD in the nonconvex setting remains open. This paper studies a simple variant of Nesterov's AGD, and shows that it escapes saddle points and finds a second-order stationary point in ( O (1 ^ 7 4 ) ) iterations, matching the best known convergence rate, which is faster than the ( O (1 ^ 2 ) ) iterations required by GD. To the best of our knowledge, this is the first direct acceleration (single-loop) algorithm that is provably faster than GD in general nonconvex setting---all previous nonconvex accelerated algorithms rely on more complex mechanisms such as nested loops and proximal terms. Our analysis is based on two key ideas: (1) the use of a simple Hamiltonian function, inspired by a continuous-time perspective, which AGD monotonically decreases on each step even for nonconvex functions, and (2) a novel framework called improve or localize, which is useful for tracking the long-term behavior of gradient-based optimization algorithms. We believe that these techniques may deepen our understanding of both acceleration algorithms and nonconvex optimization. Self-paced learning and hard example mining re-weight training instances to improve learning accuracy. This paper presents two improved alternatives based on lightweight estimates of sample uncertainty in stochastic gradient descent (SGD): the variance in predicted probability of the correct class across iterations of mini-batch SGD, and the proximity of the correct class probability to the decision threshold. Extensive experimental results on six datasets show that our methods reliably improve accuracy in various network architectures, including additional gains on top of other popular training techniques, such as residual learning, momentum, ADAM, batch normalization, dropout, and distillation. Self-paced learning and hard example mining re-weight training instances to improve learning accuracy. This paper presents two improved alternatives based on lightweight estimates of sample uncertainty in stochastic gradient descent (SGD): the variance in predicted probability of the correct class across iterations of mini-batch SGD, and the proximity of the correct class probability to the decision threshold. Extensive experimental results on six datasets show that our methods reliably improve accuracy in various network architectures, including additional gains on top of other popular training techniques, such as residual learning, momentum, ADAM, batch normalization, dropout, and distillation. By building upon the recent theory that established the connection between implicit generative modeling (IGM) and optimal transport, in this study, we propose a novel parameter-free algorithm for learning the underlying distributions of complicated datasets and sampling from them. The proposed algorithm is based on a functional optimization problem, which aims at finding a measure that is close to the data distribution as much as possible and also expressive enough for generative modeling purposes. We formulate the problem as a gradient flow in the space of probability measures. The connections between gradient flows and stochastic differential equations let us develop a computationally efficient algorithm for solving the optimization problem. We provide formal theoretical analysis where we prove finite-time error guarantees for the proposed algorithm. To the best of our knowledge, the proposed algorithm is the first nonparametric IGM algorithm with explicit theoretical guarantees. Our experimental results support our theory and show that our algorithm is able to successfully capture the structure of different types of data distributions. Stochastic gradient descent (SGD) has been regarded as a successful optimization algorithm in machine learning. In this paper, we propose a novel annealed gradient descent (AGD) method for non-convex optimization in deep learning. AGD optimizes a sequence of gradually improved smoother mosaic functions that approximate the original non-convex objective function according to an annealing schedule during the optimization process. We present a theoretical analysis on its convergence properties and learning speed. The proposed AGD algorithm is applied to learning deep neural networks (DNNs) for image recognition on MNIST and speech recognition on Switchboard. Experimental results have shown that AGD can yield comparable performance as SGD but it can significantly expedite training of DNNs in big data sets (by about 40 faster). We describe a novel unsupervised method for learning sparse, overcomplete features. The model uses a linear encoder, and a linear decoder preceded by a sparsifying non-linearity that turns a code vector into a quasi-binary sparse code vector. Given an input, the optimal code minimizes the distance between the output of the decoder and the input patch while being as similar as possible to the encoder output. Learning proceeds in a two-phase EM-like fashion: (1) compute the minimum-energy code vector, (2) adjust the parameters of the encoder and decoder so as to decrease the energy. The model produces "stroke detectors" when trained on handwritten numerals, and Gabor-like filters when trained on natural image patches. Inference and learning are very fast, requiring no preprocessing, and no expensive sampling. Using the proposed unsupervised method to initialize the first layer of a convolutional network, we achieved an error rate slightly lower than the best reported result on the MNIST dataset. Finally, an extension of the method is described to learn topographical filter maps. Nesterov's accelerated gradient descent (AGD), an instance of the general family of "momentum methods", provably achieves faster convergence rate than gradient descent (GD) in the convex setting. However, whether these methods are superior to GD in the nonconvex setting remains open. This paper studies a simple variant of AGD, and shows that it escapes saddle points and finds a second-order stationary point in @math iterations, faster than the @math iterations required by GD. To the best of our knowledge, this is the first Hessian-free algorithm to find a second-order stationary point faster than GD, and also the first single-loop algorithm with a faster rate than GD even in the setting of finding a first-order stationary point. Our analysis is based on two key ideas: (1) the use of a simple Hamiltonian function, inspired by a continuous-time perspective, which AGD monotonically decreases per step even for nonconvex functions, and (2) a novel framework called improve or localize, which is useful for tracking the long-term behavior of gradient-based optimization algorithms. We believe that these techniques may deepen our understanding of both acceleration algorithms and nonconvex optimization. We present an approach to automate the process of discovering optimization methods, with a focus on deep learning architectures. We train a Recurrent Neural Network controller to generate a string in a specific domain language that describes a mathematical update equation based on a list of primitive functions, such as the gradient, running average of the gradient, etc. The controller is trained with Reinforcement Learning to maximize the performance of a model after a few epochs. On CIFAR-10, our method discovers several update rules that are better than many commonly used optimizers, such as Adam, RMSProp, or SGD with and without Momentum on a ConvNet model. These optimizers can also be transferred to perform well on different neural network architectures, including Google's neural machine translation system. We address the numerical problem of recovering large matrices of low rank when most of the entries are unknown. We exploit the geometry of the low-rank constraint to recast the problem as an unconstrained optimization problem on a single Grassmann manifold. We then apply second-order Riemannian trust-region methods (RTRMC 2) and Riemannian conjugate gradient methods (RCGMC) to solve it. A preconditioner for the Hessian is introduced that helps control the conditioning of the problem and we detail preconditioned versions of Riemannian optimization algorithms. The cost of each iteration is linear in the number of known entries. The proposed methods are competitive with state-of-the-art algorithms on a wide range of problem instances. In particular, they perform well on rectangular matrices. We further note that second-order and preconditioned methods are well suited to solve badly conditioned matrix completion tasks.