We study in this paper the problems of both image captioning and text-to-image generation, and present a novel turbo learning approach to jointly training an image-to-text generator (a.k.a. CaptionBot) and a text-to-image generator (a.k.a. DrawingBot). The key idea behind the joint training is that image-to-text generation and text-to-image generation as dual problems can form a closed loop to provide informative feedback to each other. Based on such feedback, we introduce a new loss metric by comparing the original input with the output produced by the closed loop. In addition to the old loss metrics used in CaptionBot and DrawingBot, this extra loss metric makes the jointly trained CaptionBot and DrawingBot better than the separately trained CaptionBot and DrawingBot. Furthermore, the turbo-learning approach enables semi-supervised learning since the closed loop can provide peudo-labels for unlabeled samples. Experimental results on the COCO dataset demonstrate that the proposed turbo learning can significantly improve the performance of both CaptionBot and DrawingBot by a large margin.

We propose a stepsize adaptation scheme for stochastic gradient descent. It operates directly with the loss function and rescales the gradient in order to make fixed predicted progress on the loss. We demonstrate its capabilities by conclusively improving the performance of Adam and Momentum optimizers. The enhanced optimizers with default hyperparameters consistently outperform their constant stepsize counterparts, even the best ones, without a measurable increase in computational cost. The performance is validated on multiple architectures including dense nets, CNNs, ResNets, and the recurrent Differential Neural Computer on classical datasets MNIST, fashion MNIST, CIFAR10 and others.

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph generation, whose goal is to discover novel molecules with desired properties such as drug-likeness and synthetic accessibility, while obeying physical laws such as chemical valency. However, designing models that finds molecules that optimize desired properties while incorporating highly complex and non-differentiable rules remains to be a challenging task. Here we propose Graph Convolutional Policy Network (GCPN), a general graph convolutional network based model for goal-directed graph generation through reinforcement learning. The model is trained to optimize domain-specific rewards and adversarial loss through policy gradient, and acts in an environment that incorporates domain-specific rules. Experimental results show that GCPN can achieve 61% improvement on chemical property optimization over state-of-the-art baselines while resembling known molecules, and achieve 184% improvement on the constrained property optimization task.

Neural network training relies on our ability to find "good" minimizers of highly non-convex loss functions. It is well known that certain network architecture designs (e.g., skip connections) produce loss functions that train easier, and well-chosen training parameters (batch size, learning rate, optimizer) produce minimizers that generalize better. However, the reasons for these differences, and their effect on the underlying loss landscape, is not well understood. In this paper, we explore the structure of neural loss functions, and the effect of loss landscapes on generalization, using a range of visualization methods. First, we introduce a simple "filter normalization" method that helps us visualize loss function curvature, and make meaningful side-by-side comparisons between loss functions. Then, using a variety of visualizations, we explore how network architecture affects the loss landscape, and how training parameters affect the shape of minimizers.

We introduce Bayesian distributed stochastic gradient descent (BDSGD), a high-throughput algorithm for training deep neural networks on parallel clusters. This algorithm uses amortized inference in a deep generative model to perform joint posterior predictive inference of mini-batch gradient computation times in a compute cluster specific manner. Specifically, our algorithm mitigates the straggler effect in synchronous, gradient-based optimization by choosing an optimal cutoff beyond which mini-batch gradient messages from slow workers are ignored. In our experiments, we show that eagerly discarding the mini-batch gradient computations of stragglers not only increases throughput but actually increases the overall rate of convergence as a function of wall-clock time by virtue of eliminating idleness. The principal novel contribution and finding of this work goes beyond this by demonstrating that using the predicted run-times from a generative model of cluster worker performance improves substantially over the static-cutoff prior art, leading to reduced deep neural net training times on large computer clusters.

Neural networks are increasingly deployed in real-world safety-critical domains such as autonomous driving, aircraft collision avoidance, and malware detection. However, these networks have been shown to often mispredict on inputs with minor adversarial or even accidental perturbations. Consequences of such errors can be disastrous and even potentially fatal as shown by the recent Tesla autopilot crashes. Thus, there is an urgent need for formal analysis systems that can rigorously check neural networks for violations of different safety properties such as robustness against adversarial perturbations within a certain L-norm of a given image. An effective safety analysis system for a neural network must be able to either ensure that a safety property is satisfied by the network or find a counterexample, i.e., an input for which the network will violate the property. Unfortunately, most existing techniques for performing such analysis struggle to scale beyond very small networks and the ones that can scale to larger networks suffer from high false positives and cannot produce concrete counterexamples in case of a property violation. In this paper, we present a new efficient approach for rigorously checking different safety properties of neural networks that significantly outperforms existing approaches by multiple orders of magnitude. Our approach can check different safety properties and find concrete counterexamples for networks that are 10 larger than the ones supported by existing analysis techniques. We believe that our approach to estimating tight output bounds of a network for a given input range can also help improve the explainability of neural networks and guide the training process of more robust neural networks.

Deep structured models are widely used for tasks like semantic segmentation, where explicit correlations between variables provide important prior information which generally helps to reduce the data needs of deep nets. However, current deep structured models are restricted by oftentimes very local neighborhood structure, which cannot be increased for computational complexity reasons, and by the fact that the output configuration, or a representation thereof, cannot be transformed further. Very recent approaches which address those issues include graphical model inference inside deep nets so as to permit subsequent non-linear output space transformations. However, optimization of those formulations is challenging and not well understood. Here, we develop a novel model which generalizes existing approaches, such as structured prediction energy networks, and discuss a formulation which maintains applicability of existing inference techniques.

Neural language models (NLMs) have recently gained a renewed interest by achieving state-of-the-art performance across many natural language processing (NLP) tasks. However, NLMs are very computationally demanding largely due to the computational cost of the decoding process, which consists of a softmax layer over a large vocabulary.We observe that in the decoding of many NLP tasks, only the probabilities of the top-K hypotheses need to be calculated preciously and K is often much smaller than the vocabulary size. This paper proposes a novel softmax layer approximation algorithm, called Fast Graph Decoder (FGD), which quickly identifies, for a given context, a set of K words that are most likely to occur according to a NLM. We demonstrate that FGD reduces the decoding time by an order of magnitude while attaining close to the full softmax baseline accuracy on neural machine translation and language modeling tasks. We also prove the theoretical guarantee on the softmax approximation quality.

The need to efficiently calculate first- and higher-order derivatives of increasingly complex models expressed in Python has stressed or exceeded the capabilities of available tools. In this work, we explore techniques from the field of automatic differentiation (AD) that can give researchers expressive power, performance and strong usability. These include source-code transformation (SCT), flexible gradient surgery, efficient in-place array operations, and higher-order derivatives. We implement and demonstrate these ideas in the Tangent software library for Python, the first AD framework for a dynamic language that uses SCT.

Uncertainty estimation in large deep-learning models is a computationally challenging task, where it is difficult to form even a Gaussian approximation to the posterior distribution. In such situations, existing methods usually resort to a diagonal approximation of the covariance matrix despite the fact that these matrices are known to give poor uncertainty estimates. To address this issue, we propose a new stochastic, low-rank, approximate natural-gradient (SLANG) method for variational inference in large deep models. Our method estimates a “diagonal plus low-rank” structure based solely on back-propagated gradients of the network log-likelihood. This requires strictly less gradient computations than methods that compute the gradient of the whole variational objective. Empirical evaluations on standard benchmarks confirm that SLANG enables faster and more accurate estimation of uncertainty than mean-field methods, and performs comparably to state-of-the-art methods.