We propose a vine copula autoencoder to construct flexible generative models for high-dimensional distributions in a straightforward three-step procedure. First, an autoencoder compresses the data using a lower dimensional representation. Second, the multivariate distribution of the encoded data is estimated with vine copulas. Third, a generative model is obtained by combining the estimated distribution with the decoder part of the autoencoder. This approach can transform any already trained autoencoder into a flexible generative model at a low computational cost. This is an advantage over existing generative models such as adversarial networks and variational autoencoders which can be difficult to train and can impose strong assumptions on the latent space. Experiments on MNIST, Street View House Numbers and Large-Scale CelebFaces Attributes datasets show that vine copulas autoencoders can achieve competitive results to standard baselines.

We present a deep learning framework for wide-field, content-aware estimation of absorption and scattering coefficients of tissues, called Generative Adversarial Network Prediction of Optical Properties (GANPOP). Spatial frequency domain imaging is used to obtain ground-truth optical properties from in vivo human hands, freshly resected human esophagectomy samples and homogeneous tissue phantoms. Images of objects with either flat-field or structured illumination are paired with registered optical property maps and are used to train conditional generative adversarial networks that estimate optical properties from a single input image. We benchmark this approach by comparing GANPOP to a single-snapshot optical property (SSOP) technique, using a normalized mean absolute error (NMAE) metric. In human gastrointestinal specimens, GANPOP estimates both reduced scattering and absorption coefficients at 660 nm from a single 0.2 /mm spatial frequency illumination image with 58% higher accuracy than SSOP. When applied to both in vivo and ex vivo swine tissues, a GANPOP model trained solely on human specimens and phantoms estimates optical properties with approximately 43% improvement over SSOP, indicating adaptability to sample variety. Moreover, we demonstrate that GANPOP estimates optical properties from flat-field illumination images with similar error to SSOP, which requires structured-illumination. Given a training set that appropriately spans the target domain, GANPOP has the potential to enable rapid and accurate wide-field measurements of optical properties, even from conventional imaging systems with flat-field illumination.

Traffic classification has various applications in today's Internet, from resource allocation, billing and QoS purposes in ISPs to firewall and malware detection in clients. Classical machine learning algorithms and deep learning models have been widely used to solve the traffic classification task. However, training such models requires a large amount of labeled data. Labeling data is often the most difficult and time-consuming process in building a classifier. To solve this challenge, we reformulate the traffic classification into a multi-task learning framework where bandwidth requirement and duration of a flow are predicted along with the traffic class. The motivation of this approach is twofold: First, bandwidth requirement and duration are useful in many applications, including routing, resource allocation, and QoS provisioning. Second, these two values can be obtained from each flow easily without the need for human labeling or capturing flows in a controlled and isolated environment. We show that with a large amount of easily obtainable data samples for bandwidth and duration prediction tasks, and only a few data samples for the traffic classification task, one can achieve high accuracy. We conduct two experiment with ISCX and QUIC public datasets and show the efficacy of our approach.

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees that the molecules can actually be synthesized in practice. We propose a new molecule generation model, mirroring a more realistic real-world process, where (a) reactants are selected, and (b) combined to form more complex molecules. More specifically, our generative model proposes a bag of initial reactants (selected from a pool of commercially-available molecules) and uses a reaction model to predict how they react together to generate new molecules. We first show that the model can generate diverse, valid and unique molecules due to the useful inductive biases of modeling reactions. Furthermore, our model allows chemists to interrogate not only the properties of the generated molecules but also the feasibility of the synthesis routes. We conclude by using our model to solve retrosynthesis problems, predicting a set of reactants that can produce a target product.

Although there has been a rapid development of practical applications, theoretical explanations of deep learning are in their infancy. A possible starting point suggests that deep learning performs a sophisticated coarse graining. Coarse graining is the foundation of the renormalization group (RG), which provides a systematic construction of the theory of large scales starting from an underlying microscopic theory. In this way RG can be interpreted as providing a mechanism to explain the emergence of large scale structure, which is directly relevant to deep learning. We pursue the possibility that RG may provide a useful framework within which to pursue a theoretical explanation of deep learning. A statistical mechanics model for a magnet, the Ising model, is used to train an unsupervised RBM. The patterns generated by the trained RBM are compared to the configurations generated through a RG treatment of the Ising model. We argue that correlation functions between hidden and visible neurons are capable of diagnosing RG-like coarse graining. Numerical experiments show the presence of RG-like patterns in correlators computed using the trained RBMs. The observables we consider are also able to exhibit important differences between RG and deep learning.

Recent advances in semi-supervised learning methods rely on estimating the categories of unlabeled data using a model trained on the labeled data (pseudo-labeling) and using the unlabeled data for various consistency-based regularization. In this work, we propose to explicitly leverage the structure of the data manifold based on a Manifold Graph constructed over the image instances within the feature space. Specifically, we propose an architecture based on graph networks that jointly optimizes feature extraction, graph connectivity, and feature propagation and aggregation to unlabeled data in an end-to-end manner. Further, we present a novel Prototype Generator for producing a diverse set of prototypes that compactly represent each category, which supports feature propagation. To evaluate our method, we first contribute a strong baseline that combines two consistency-based regularizers that already achieves state-of-the-art results especially with fewer labels. We then show that when combined with these regularizers, the proposed method facilitates the propagation of information from generated prototypes to image data to further improve results. We provide extensive qualitative and quantitative experimental results on semi-supervised benchmarks demonstrating the improvements arising from our design and show that our method achieves state-of-the-art performance when compared with existing methods using a single model and comparable with ensemble methods. Specifically, we achieve error rates of 3.35% on SVHN, 8.27% on CIFAR-10, and 33.83% on CIFAR-100. With much fewer labels, we surpass the state of the arts by significant margins of 41% relative error decrease on average.

While neural networks are powerful function approximators, they suffer from catastrophic forgetting when the data distribution is not stationary. One particular formalism that studies learning under non-stationary distribution is provided by continual learning, where the non-stationarity is imposed by a sequence of distinct tasks. Most methods in this space assume, however, the knowledge of task boundaries, and focus on alleviating catastrophic forgetting. In this work, we depart from this view and move the focus towards faster remembering - i.e measuring how quickly the network recovers performance rather than measuring the network's performance without any adaptation. We argue that in many settings this can be more effective and that it opens the door to combining meta-learning and continual learning techniques, leveraging their complementary advantages. We propose a framework specific for the scenario where no information about task boundaries or task identity is given. It relies on a separation of concerns into what task is being solved and how the task should be solved. This framework is implemented by differentiating task specific parameters from task agnostic parameters, where the latter are optimized in a continual meta learning fashion, without access to multiple tasks at the same time. We showcase this framework in a supervised learning scenario and discuss the implications of the proposed formalism.

As a result of the growing size of Deep Neural Networks (DNNs), the gap to hardware capabilities in terms of memory and compute increases. To effectively compress DNNs, quantization and connection pruning are usually considered. However, unconstrained pruning usually leads to unstructured parallelism, which maps poorly to massively parallel processors, and substantially reduces the efficiency of general-purpose processors. Similar applies to quantization, which often requires dedicated hardware. We propose Parameterized Structured Pruning (PSP), a novel method to dynamically learn the shape of DNNs through structured sparsity. PSP parameterizes structures (e.g. channel- or layer-wise) in a weight tensor and leverages weight decay to learn a clear distinction between important and unimportant structures. As a result, PSP maintains prediction performance, creates a substantial amount of sparsity that is structured and, thus, easy and efficient to map to a variety of massively parallel processors, which are mandatory for utmost compute power and energy efficiency. PSP is experimentally validated on the popular CIFAR10/100 and ILSVRC2012 datasets using ResNet and DenseNet architectures, respectively.

Recently, deep learning models play more and more important roles in contents recommender systems. However, although the performance of recommendations is greatly improved, the "Matthew effect" becomes increasingly evident. While the head contents get more and more popular, many competitive long-tail contents are difficult to achieve timely exposure because of lacking behavior features. This issue has badly impacted the quality and diversity of recommendations. To solve this problem, look-alike algorithm is a good choice to extend audience for high quality long-tail contents. But the traditional look-alike models which widely used in online advertising are not suitable for recommender systems because of the strict requirement of both real-time and effectiveness. This paper introduces a real-time attention based look-alike model (RALM) for recommender systems, which tackles the challenge of conflict between real-time and effectiveness. RALM realizes real-time look-alike audience extension benefiting from seeds-to-user similarity prediction and improves the effectiveness through optimizing user representation learning and look-alike learning modeling. For user representation learning, we propose a novel neural network structure named attention merge layer to replace the concatenation layer, which significantly improves the expressive ability of multi-fields feature learning. On the other hand, considering the various members of seeds, we design global attention unit and local attention unit to learn robust and adaptive seeds representation with respect to a certain target user. At last, we introduce seeds clustering mechanism which not only reduces the time complexity of attention units prediction but also minimizes the loss of seeds information at the same time. According to our experiments, RALM shows superior effectiveness and performance than popular look-alike models.

Strong theoretical guarantees of robustness can be given for ensembles of classifiers generated by input randomization. Specifically, an $\ell_2$ bounded adversary cannot alter the ensemble prediction generated by an isotropic Gaussian perturbation, where the radius for the adversary depends on both the variance of the perturbation as well as the ensemble margin at the point of interest. We build on and considerably expand this work across broad classes of perturbations. In particular, we offer guarantees and develop algorithms for the discrete case where the adversary is $\ell_0$ bounded. Moreover, we exemplify how the guarantees can be tightened with specific assumptions about the function class of the classifier such as a decision tree. We empirically illustrate these results with and without functional restrictions across image and molecule datasets.