Given a set of observations generated by an optimization process, the goal of inverse optimization is to determine likely parameters of that process. We cast inverse optimization as a form of deep learning. Our method, called deep inverse optimization, is to unroll an iterative optimization process and then use backpropagation to learn parameters that generate the observations. We demonstrate that by backpropagating through the interior point algorithm we can learn the coefficients determining the cost vector and the constraints, independently or jointly, for both non-parametric and parametric linear programs, starting from one or multiple observations. With this approach, inverse optimization can leverage concepts and algorithms from deep learning.
Methodologically, our unrolling strategy is similar to @cite_26 who directly optimize the hyperparameters of a neural network training procedure with gradient descent. Conceptually, the closest papers to our work are by Amos and Kolter @cite_7 and Donti, Amos and Kolter @cite_11 . However, these papers are written independently of the inverse optimization literature. Amos and Kolter @cite_7 present the OptNet framework, which integrates a quadratic optimization layer in a deep neural network. The gradients for updating the coefficients of the optimization problem are derived through implicit differentiation. This approach involves taking matrix differentials of the KKT conditions for the optimization problem in question, while our strategy is based on allowing a deep learning framework to unroll an existing optimization procedure. Their method has efficiency advantages, while our unrolling approach is easily applicable, including to processes for which the KKT conditions may not hold or are difficult to implicitly differentiate. We include a more in-depth discussion in .
@cite_26 @cite_7 @cite_11
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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. Despite superior training outcomes, adaptive optimization methods such as Adam, Adagrad or RMSprop have been found to generalize poorly compared to Stochastic gradient descent (SGD). These methods tend to perform well in the initial portion of training but are outperformed by SGD at later stages of training. We investigate a hybrid strategy that begins training with an adaptive method and switches to SGD when appropriate. Concretely, we propose SWATS, a simple strategy which switches from Adam to SGD when a triggering condition is satisfied. The condition we propose relates to the projection of Adam steps on the gradient subspace. By design, the monitoring process for this condition adds very little overhead and does not increase the number of hyperparameters in the optimizer. We report experiments on several standard benchmarks such as: ResNet, SENet, DenseNet and PyramidNet for the CIFAR-10 and CIFAR-100 data sets, ResNet on the tiny-ImageNet data set and language modeling with recurrent networks on the PTB and WT2 data sets. The results show that our strategy is capable of closing the generalization gap between SGD and Adam on a majority of the tasks. Optimizing deep neural networks (DNNs) often suffers from the ill-conditioned problem. We observe that the scaling-based weight space symmetry property in rectified nonlinear network will cause this negative effect. Therefore, we propose to constrain the incoming weights of each neuron to be unit-norm, which is formulated as an optimization problem over Oblique manifold. A simple yet efficient method referred to as projection based weight normalization (PBWN) is also developed to solve this problem. PBWN executes standard gradient updates, followed by projecting the updated weight back to Oblique manifold. This proposed method has the property of regularization and collaborates well with the commonly used batch normalization technique. We conduct comprehensive experiments on several widely-used image datasets including CIFAR-10, CIFAR-100, SVHN and ImageNet for supervised learning over the state-of-the-art convolutional neural networks, such as Inception, VGG and residual networks. The results show that our method is able to improve the performance of DNNs with different architectures consistently. We also apply our method to Ladder network for semi-supervised learning on permutation invariant MNIST dataset, and our method outperforms the state-of-the-art methods: we obtain test errors as 2.52 , 1.06 , and 0.91 with only 20, 50, and 100 labeled samples, respectively. How well does a classic deep net architecture like AlexNet or VGG19 classify on a standard dataset such as CIFAR-10 when its "width" --- namely, number of channels in convolutional layers, and number of nodes in fully-connected internal layers --- is allowed to increase to infinity? Such questions have come to the forefront in the quest to theoretically understand deep learning and its mysteries about optimization and generalization. They also connect deep learning to notions such as Gaussian processes and kernels. A recent paper [, 2018] introduced the Neural Tangent Kernel (NTK) which captures the behavior of fully-connected deep nets in the infinite width limit trained by gradient descent; this object was implicit in some other recent papers. A subsequent paper [, 2019] gave heuristic Monte Carlo methods to estimate the NTK and its extension, Convolutional Neural Tangent Kernel (CNTK) and used this to try to understand the limiting behavior on datasets like CIFAR-10. The current paper gives the first efficient exact algorithm (based upon dynamic programming) for computing CNTK as well as an efficient GPU implementation of this algorithm. This results in a significant new benchmark for performance of a pure kernel-based method on CIFAR-10, being 10 higher than the methods reported in [, 2019], and only 5 lower than the performance of the corresponding finite deep net architecture (once batch normalization etc. are turned off). We give the first non-asymptotic proof showing that a fully-trained sufficiently wide net is indeed equivalent to the kernel regression predictor using NTK. Our experiments also demonstrate that earlier Monte Carlo approximation can degrade the performance significantly, thus highlighting the power of our exact kernel computation, which we have applied even to the full CIFAR-10 dataset and 20-layer nets. Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset. Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset. In this paper, we propose a novel deep convolutional neural network (CNN)-based algorithm for solving ill-posed inverse problems. Regularized iterative algorithms have emerged as the standard approach to ill-posed inverse problems in the past few decades. These methods produce excellent results, but can be challenging to deploy in practice due to factors including the high computational cost of the forward and adjoint operators and the difficulty of hyperparameter selection. The starting point of this paper is the observation that unrolled iterative methods have the form of a CNN (filtering followed by pointwise non-linearity) when the normal operator ( @math , where @math is the adjoint of the forward imaging operator, @math ) of the forward model is a convolution. Based on this observation, we propose using direct inversion followed by a CNN to solve normal-convolutional inverse problems. The direct inversion encapsulates the physical model of the system, but leads to artifacts when the problem is ill posed; the CNN combines multiresolution decomposition and residual learning in order to learn to remove these artifacts while preserving image structure. We demonstrate the performance of the proposed network in sparse-view reconstruction (down to 50 views) on parallel beam X-ray computed tomography in synthetic phantoms as well as in real experimental sinograms. The proposed network outperforms total variation-regularized iterative reconstruction for the more realistic phantoms and requires less than a second to reconstruct a @math image on the GPU. We study the problem of attacking a machine learning model in the hard-label black-box setting, where no model information is revealed except that the attacker can make queries to probe the corresponding hard-label decisions. This is a very challenging problem since the direct extension of state-of-the-art white-box attacks (e.g., CW or PGD) to the hard-label black-box setting will require minimizing a non-continuous step function, which is combinatorial and cannot be solved by a gradient-based optimizer. The only current approach is based on random walk on the boundary, which requires lots of queries and lacks convergence guarantees. We propose a novel way to formulate the hard-label black-box attack as a real-valued optimization problem which is usually continuous and can be solved by any zeroth order optimization algorithm. For example, using the Randomized Gradient-Free method, we are able to bound the number of iterations needed for our algorithm to achieve stationary points. We demonstrate that our proposed method outperforms the previous random walk approach to attacking convolutional neural networks on MNIST, CIFAR, and ImageNet datasets. More interestingly, we show that the proposed algorithm can also be used to attack other discrete and non-continuous machine learning models, such as Gradient Boosting Decision Trees (GBDT). Deep convolutional neural networks have liberated its extraordinary power on various tasks. However, it is still very challenging to deploy state-of-the-art models into real-world applications due to their high computational complexity. How can we design a compact and effective network without massive experiments and expert knowledge? In this paper, we propose a simple and effective framework to learn and prune deep models in an end-to-end manner. In our framework, a new type of parameter – scaling factor is first introduced to scale the outputs of specific structures, such as neurons, groups or residual blocks. Then we add sparsity regularizations on these factors, and solve this optimization problem by a modified stochastic Accelerated Proximal Gradient (APG) method. By forcing some of the factors to zero, we can safely remove the corresponding structures, thus prune the unimportant parts of a CNN. Comparing with other structure selection methods that may need thousands of trials or iterative fine-tuning, our method is trained fully end-to-end in one training pass without bells and whistles. We evaluate our method, Sparse Structure Selection with several state-of-the-art CNNs, and demonstrate very promising results with adaptive depth and width selection. Code is available at: https: github.com huangzehao sparse-structure-selection. This paper tackles the problem of training a deep convolutional neural network with both low-precision weights and low-bitwidth activations. Optimizing a low-precision network is very challenging since the training process can easily get trapped in a poor local minima, which results in substantial accuracy loss. To mitigate this problem, we propose three simple-yet-effective approaches to improve the network training. First, we propose to use a two-stage optimization strategy to progressively find good local minima. Specifically, we propose to first optimize a net with quantized weights and then quantized activations. This is in contrast to the traditional methods which optimize them simultaneously. Second, following a similar spirit of the first method, we propose another progressive optimization approach which progressively decreases the bit-width from high-precision to low-precision during the course of training. Third, we adopt a novel learning scheme to jointly train a full-precision model alongside the low-precision one. By doing so, the full-precision model provides hints to guide the low-precision model training. Extensive experiments on various datasets (i.e., CIFAR-100 and ImageNet) show the effectiveness of the proposed methods. To highlight, using our methods to train a 4-bit precision network leads to no performance decrease in comparison with its full-precision counterpart with standard network architectures (i.e., AlexNet and ResNet-50). Deep convolutional neural networks have liberated its extraordinary power on various tasks. However, it is still very challenging to deploy state-of-the-art models into real-world applications due to their high computational complexity. How can we design a compact and effective network without massive experiments and expert knowledge? In this paper, we propose a simple and effective framework to learn and prune deep models in an end-to-end manner. In our framework, a new type of parameter -- scaling factor is first introduced to scale the outputs of specific structures, such as neurons, groups or residual blocks. Then we add sparsity regularizations on these factors, and solve this optimization problem by a modified stochastic Accelerated Proximal Gradient (APG) method. By forcing some of the factors to zero, we can safely remove the corresponding structures, thus prune the unimportant parts of a CNN. Comparing with other structure selection methods that may need thousands of trials or iterative fine-tuning, our method is trained fully end-to-end in one training pass without bells and whistles. We evaluate our method, Sparse Structure Selection with several state-of-the-art CNNs, and demonstrate very promising results with adaptive depth and width selection. We consider the fundamental problem in nonconvex optimization of efficiently reaching a stationary point. In contrast to the convex case, in the long history of this basic problem, the only known theoretical results on first-order nonconvex optimization remain to be full gradient descent that converges in O(1 e) iterations for smooth objectives, and stochastic gradient descent that converges in O(1 e2) iterations for objectives that are sum of smooth functions. We provide the first improvement in this line of research. Our result is based on the variance reduction trick recently introduced to convex optimization, as well as a brand new analysis of variance reduction that is suitable for non-convex optimization. For objectives that are sum of smooth functions, our first-order minibatch stochastic method converges with an O(1 e) rate, and is faster than full gradient descent by Ω(n1 3). We demonstrate the effectiveness of our methods on empirical risk minimizations with nonconvex loss functions and training neural nets. Solving for adversarial examples with projected gradient descent has been demonstrated to be highly effective in fooling the neural network based classifiers. However, in the black-box setting, the attacker is limited only to the query access to the network and solving for a successful adversarial example becomes much more difficult. To this end, recent methods aim at estimating the true gradient signal based on the input queries but at the cost of excessive queries. We propose an efficient discrete surrogate to the optimization problem which does not require estimating the gradient and consequently becomes free of the first order update hyperparameters to tune. Our experiments on Cifar-10 and ImageNet show the state of the art black-box attack performance with significant reduction in the required queries compared to a number of recently proposed methods. The source code is available at this https URL. We focus on nonconvex and nonsmooth minimization problems with a composite objective, where the differentiable part of the objective is freed from the usual and restrictive global Lipschitz gradient continuity assumption. This longstanding smoothness restriction is pervasive in first order methods (FOM), and was recently circumvent for convex composite optimization by Bauschke, Bolte and Teboulle, through a simple and elegant framework which captures, all at once, the geometry of the function and of the feasible set. Building on this work, we tackle genuine nonconvex problems. We first complement and extend their approach to derive a full extended descent lemma by introducing the notion of smooth adaptable functions. We then consider a Bregman-based proximal gradient methods for the nonconvex composite model with smooth adaptable functions, which is proven to globally converge to a critical point under natural assumptions on the problem's data. To illustrate the power and potential of our general framework and results, we consider a broad class of quadratic inverse problems with sparsity constraints which arises in many fundamental applications, and we apply our approach to derive new globally convergent schemes for this class. Nonconvex and nonsmooth problems have recently received considerable attention in signal image processing, statistics and machine learning. However, solving the nonconvex and nonsmooth optimization problems remains a big challenge. Accelerated proximal gradient (APG) is an excellent method for convex programming. However, it is still unknown whether the usual APG can ensure the convergence to a critical point in nonconvex programming. In this paper, we extend APG for general nonconvex and nonsmooth programs by introducing a monitor that satisfies the sufficient descent property. Accordingly, we propose a monotone APG and a nonmonotone APG. The latter waives the requirement on monotonic reduction of the objective function and needs less computation in each iteration. To the best of our knowledge, we are the first to provide APG-type algorithms for general nonconvex and nonsmooth problems ensuring that every accumulation point is a critical point, and the convergence rates remain O(1 k2) when the problems are convex, in which k is the number of iterations. Numerical results testify to the advantage of our algorithms in speed. We propose an efficient method for approximating natural gradient descent in neural networks which we call Kronecker-Factored Approximate Curvature (K-FAC). K-FAC is based on an efficiently invertible approximation of a neural network's Fisher information matrix which is neither diagonal nor low-rank, and in some cases is completely non-sparse. It is derived by approximating various large blocks of the Fisher (corresponding to entire layers) as being the Kronecker product of two much smaller matrices. While only several times more expensive to compute than the plain stochastic gradient, the updates produced by K-FAC make much more progress optimizing the objective, which results in an algorithm that can be much faster than stochastic gradient descent with momentum in practice. And unlike some previously proposed approximate natural-gradient Newton methods which use high-quality non-diagonal curvature matrices (such as Hessian-free optimization), K-FAC works very well in highly stochastic optimization regimes. This is because the cost of storing and inverting K-FAC's approximation to the curvature matrix does not depend on the amount of data used to estimate it, which is a feature typically associated only with diagonal or low-rank approximations to the curvature matrix. We propose a very simple modification of gradient descent and stochastic gradient descent. We show that when applied to a variety of machine learning models including softmax regression, convolutional neural nets, generative adversarial nets, and deep reinforcement learning, this very simple surrogate can dramatically reduce the variance and improve the accuracy of the generalization. The new algorithm, (which depends on one nonnegative parameter) when applied to non-convex minimization, tends to avoid sharp local minima. Instead it seeks somewhat flatter local (and often global) minima. The method only involves preconditioning the gradient by the inverse of a tri-diagonal matrix that is positive definite. The motivation comes from the theory of Hamilton-Jacobi partial differential equations. This theory demonstrates that the new algorithm is almost the same as doing gradient descent on a new function which (a) has the same global minima as the original function and (b) is "more convex". Again, the programming effort in doing this is minimal, in cost, complexity and effort. We implement our algorithm into both PyTorch and Tensorflow platforms, which will be made publicly available. A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such minimizations, and it is often thought that a main source of difficulty for these local methods to find the global minimum is the proliferation of local minima with much higher error than the global minimum. Here we argue, based on results from statistical physics, random matrix theory, neural network theory, and empirical evidence, that a deeper and more profound difficulty originates from the proliferation of saddle points, not local minima, especially in high dimensional problems of practical interest. Such saddle points are surrounded by high error plateaus that can dramatically slow down learning, and give the illusory impression of the existence of a local minimum. Motivated by these arguments, we propose a new approach to second-order optimization, the saddle-free Newton method, that can rapidly escape high dimensional saddle points, unlike gradient descent and quasi-Newton methods. We apply this algorithm to deep or recurrent neural network training, and provide numerical evidence for its superior optimization performance. Neural networks with their inherent learning ability have been widely applied to solve the robot manipulator inverse kinematics problems. However, there are still two open problems: (1) without knowing inverse kinematic expressions, these solutions have the difficulty of how to collect training sets, and (2) the gradient-based learning algorithms can cause a very slow training process, especially for a complex configuration, or a large set of training data. Unlike these traditional implementations, the proposed metho trains neural network in joint subspace which can be easily calculated with electromagnetism-like method. The kinematics equation and its inverse are one-to-one mapping within the subspace. Thus the constrained training sets can be easily collected by forward kinematics relations. For issue 2, this paper uses a novel learning algorithm called extreme learning machine (ELM) which randomly choose the input weights and analytically determines the output weights of the single hidden layer feedforward neural networks (SLFNs). In theory, this algorithm tends to provide the best generalization performance at extremely fast learning speed. The results show that the proposed approach has not only greatly reduced the computation time but also improved the precision. Abstract Weakly-supervised learning based on, e.g., partially labelled images or image-tags, is currently attracting significant attention in CNN segmentation as it can mitigate the need for full and laborious pixel voxel annotations. Enforcing high-order (global) inequality constraints on the network output (for instance, to constrain the size of the target region) can leverage unlabeled data, guiding the training process with domain-specific knowledge. Inequality constraints are very flexible because they do not assume exact prior knowledge. However, constrained Lagrangian dual optimization has been largely avoided in deep networks, mainly for computational tractability reasons. To the best of our knowledge, the method of (2015a) is the only prior work that addresses deep CNNs with linear constraints in weakly supervised segmentation. It uses the constraints to synthesize fully-labeled training masks (proposals) from weak labels, mimicking full supervision and facilitating dual optimization. We propose to introduce a differentiable penalty, which enforces inequality constraints directly in the loss function, avoiding expensive Lagrangian dual iterates and proposal generation. From constrained-optimization perspective, our simple penalty-based approach is not optimal as there is no guarantee that the constraints are satisfied. However, surprisingly, it yields substantially better results than the Lagrangian-based constrained CNNs in (2015a) , while reducing the computational demand for training. By annotating only a small fraction of the pixels, the proposed approach can reach a level of segmentation performance that is comparable to full supervision on three separate tasks. While our experiments focused on basic linear constraints such as the target-region size and image tags, our framework can be easily extended to other non-linear constraints, e.g., invariant shape moments (Klodt and Cremers, 2011) and other region statistics (, 2014). Therefore, it has the potential to close the gap between weakly and fully supervised learning in semantic medical image segmentation. Our code is publicly available.