Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the key challenges lies in the difficulty of ensuring semantic validity in context. For examples, in molecular graphs, the number of bonding-electron pairs must not exceed the valence of an atom; whereas in protein interaction networks, two proteins may be connected only when they belong to the same or correlated gene ontology terms. These constraints are not easy to be incorporated into a generative model. In this work, we propose a regularization framework for variational autoencoders as a step toward semantic validity. We focus on the matrix representation of graphs and formulate penalty terms that regularize the output distribution of the decoder to encourage the satisfaction of validity constraints. Experimental results confirm a much higher likelihood of sampling valid graphs in our approach, compared with others reported in the literature.
Deep generative models have achieved impressive success in recent years. Generative Adversarial Networks (GANs) and Variational Autoencoders (VAEs), as emerging families for generative model learning, have largely been considered as two distinct paradigms and received extensive independent studies respectively. This paper aims to establish formal connections between GANs and VAEs through a new formulation of them. We interpret sample generation in GANs as performing posterior inference, and show that GANs and VAEs involve minimizing KL divergences of respective posterior and inference distributions with opposite directions, extending the two learning phases of classic wake-sleep algorithm, respectively. The unified view provides a powerful tool to analyze a diverse set of existing model variants, and enables to transfer techniques across research lines in a principled way. For example, we apply the importance weighting method in VAE literatures for improved GAN learning, and enhance VAEs with an adversarial mechanism that leverages generated samples. Experiments show generality and effectiveness of the transferred techniques. We study machine learning formulations of inductive program synthesis; given input-output examples, we try to synthesize source code that maps inputs to corresponding outputs. Our aims are to develop new machine learning approaches based on neural networks and graphical models, and to understand the capabilities of machine learning techniques relative to traditional alternatives, such as those based on constraint solving from the programming languages community. Our key contribution is the proposal of TerpreT, a domain-specific language for expressing program synthesis problems. TerpreT is similar to a probabilistic programming language: a model is composed of a specification of a program representation (declarations of random variables) and an interpreter describing how programs map inputs to outputs (a model connecting unknowns to observations). The inference task is to observe a set of input-output examples and infer the underlying program. TerpreT has two main benefits. First, it enables rapid exploration of a range of domains, program representations, and interpreter models. Second, it separates the model specification from the inference algorithm, allowing like-to-like comparisons between different approaches to inference. From a single TerpreT specification we automatically perform inference using four different back-ends. These are based on gradient descent, linear program (LP) relaxations for graphical models, discrete satisfiability solving, and the Sketch program synthesis system. We illustrate the value of TerpreT by developing several interpreter models and performing an empirical comparison between alternative inference algorithms. Our key empirical finding is that constraint solvers dominate the gradient descent and LP-based formulations. We conclude with suggestions for the machine learning community to make progress on program synthesis. We show that training of generative adversarial network (GAN) may not have good generalization properties; e.g., training may appear successful but the trained distribution may be far from target distribution in standard metrics. However, generalization does occur for a weaker metric called neural net distance. It is also shown that an approximate pure equilibrium exists in the discriminator generator game for a special class of generators with natural training objectives when generator capacity and training set sizes are moderate. This existence of equilibrium inspires MIX+GAN protocol, which can be combined with any existing GAN training, and empirically shown to improve some of them.  We present a variety of new architectural features and training procedures that we apply to the generative adversarial networks (GANs) framework. We focus on two applications of GANs: semi-supervised learning, and the generation of images that humans find visually realistic. Unlike most work on generative models, our primary goal is not to train a model that assigns high likelihood to test data, nor do we require the model to be able to learn well without using any labels. Using our new techniques, we achieve state-of-the-art results in semi-supervised classification on MNIST, CIFAR-10 and SVHN. The generated images are of high quality as confirmed by a visual Turing test: our model generates MNIST samples that humans cannot distinguish from real data, and CIFAR-10 samples that yield a human error rate of 21.3 . We also present ImageNet samples with unprecedented resolution and show that our methods enable the model to learn recognizable features of ImageNet classes.  We capitalize on large amounts of unlabeled video in order to learn a model of scene dynamics for both video recognition tasks (e.g. action classification) and video generation tasks (e.g. future prediction). We propose a generative adversarial network for video with a spatio-temporal convolutional architecture that untangles the scene's foreground from the background. Experiments suggest this model can generate tiny videos up to a second at full frame rate better than simple baselines, and we show its utility at predicting plausible futures of static images. Moreover, experiments and visualizations show the model internally learns useful features for recognizing actions with minimal supervision, suggesting scene dynamics are a promising signal for representation learning. We believe generative video models can impact many applications in video understanding and simulation.  We consider the problem of learning deep generative models from data. We formulate a method that generates an independent sample via a single feedforward pass through a multilayer perceptron, as in the recently proposed generative adversarial networks (, 2014). Training a generative adversarial network, however, requires careful optimization of a difficult minimax program. Instead, we utilize a technique from statistical hypothesis testing known as maximum mean discrepancy (MMD), which leads to a simple objective that can be interpreted as matching all orders of statistics between a dataset and samples from the model, and can be trained by backpropagation. We further boost the performance of this approach by combining our generative network with an auto-encoder network, using MMD to learn to generate codes that can then be decoded to produce samples. We show that the combination of these techniques yields excellent generative models compared to baseline approaches as measured on MNIST and the Toronto Face Database.  In recent years, supervised learning with convolutional networks (CNNs) has seen huge adoption in computer vision applications. Comparatively, unsupervised learning with CNNs has received less attention. In this work we hope to help bridge the gap between the success of CNNs for supervised learning and unsupervised learning. We introduce a class of CNNs called deep convolutional generative adversarial networks (DCGANs), that have certain architectural constraints, and demonstrate that they are a strong candidate for unsupervised learning. Training on various image datasets, we show convincing evidence that our deep convolutional adversarial pair learns a hierarchy of representations from object parts to scenes in both the generator and discriminator. Additionally, we use the learned features for novel tasks - demonstrating their applicability as general image representations.  How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational inference and learning algorithm that scales to large datasets and, under some mild differentiability conditions, even works in the intractable case. Our contributions is two-fold. First, we show that a reparameterization of the variational lower bound yields a lower bound estimator that can be straightforwardly optimized using standard stochastic gradient methods. Second, we show that for i.i.d. datasets with continuous latent variables per datapoint, posterior inference can be made especially efficient by fitting an approximate inference model (also called a recognition model) to the intractable posterior using the proposed lower bound estimator. Theoretical advantages are reflected in experimental results. Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only global structure and discards information about detailed texture. In this paper, we present a simple but principled method to learn such global representations by combining Variational Autoencoder (VAE) with neural autoregressive models such as RNN, MADE and PixelRNN CNN. Our proposed VAE model allows us to have control over what the global latent code can learn and , by designing the architecture accordingly, we can force the global latent code to discard irrelevant information such as texture in 2D images, and hence the VAE only "autoencodes" data in a lossy fashion. In addition, by leveraging autoregressive models as both prior distribution @math and decoding distribution @math , we can greatly improve generative modeling performance of VAEs, achieving new state-of-the-art results on MNIST, OMNIGLOT and Caltech-101 Silhouettes density estimation tasks.   Inspired by the tremendous success of deep generative models on generating continuous data like image and audio, in the most recent year, few deep graph generative models have been proposed to generate discrete data such as graphs. They are typically unconditioned generative models which has no control on modes of the graphs being generated. Differently, in this paper, we are interested in a new problem named : given an input graph, we want to infer a target graph based on their underlying (both global and local) translation mapping. Graph translation could be highly desirable in many applications such as disaster management and rare event forecasting, where the rare and abnormal graph patterns (e.g., traffic congestions and terrorism events) will be inferred prior to their occurrence even without historical data on the abnormal patterns for this graph (e.g., a road network or human contact network). To achieve this, we propose a novel Graph-Translation-Generative Adversarial Networks (GT-GAN) which will generate a graph translator from input to target graphs. GT-GAN consists of a graph translator where we propose new graph convolution and deconvolution layers to learn the global and local translation mapping. A new conditional graph discriminator has also been proposed to classify target graphs by conditioning on input graphs. Extensive experiments on multiple synthetic and real-world datasets demonstrate the effectiveness and scalability of the proposed GT-GAN. The approach of training sequence models using supervised learning and next-step prediction suffers from known failure modes. For example, it is notoriously difficult to ensure multi-step generated sequences have coherent global structure. We propose a novel sequence-learning approach in which we use a pre-trained Recurrent Neural Network (RNN) to supply part of the reward value in a Reinforcement Learning (RL) model. Thus, we can refine a sequence predictor by optimizing for some imposed reward functions, while maintaining good predictive properties learned from data. We propose efficient ways to solve this by augmenting deep Q-learning with a cross-entropy reward and deriving novel off-policy methods for RNNs from KL control. We explore the usefulness of our approach in the context of music generation. An LSTM is trained on a large corpus of songs to predict the next note in a musical sequence. This Note RNN is then refined using our method and rules of music theory. We show that by combining maximum likelihood (ML) and RL in this way, we can not only produce more pleasing melodies, but significantly reduce unwanted behaviors and failure modes of the RNN, while maintaining information learned from data. We report a method to convert discrete representations of molecules to and from a multidimensional continuous representation. This model allows us to generate new molecules for efficient exploration and optimization through open-ended spaces of chemical compounds. A deep neural network was trained on hundreds of thousands of existing chemical structures to construct three coupled functions: an encoder, a decoder, and a predictor. The encoder converts the discrete representation of a molecule into a real-valued continuous vector, and the decoder converts these continuous vectors back to discrete molecular representations. The predictor estimates chemical properties from the latent continuous vector representation of the molecule. Continuous representations of molecules allow us to automatically generate novel chemical structures by performing simple operations in the latent space, such as decoding random vectors, perturbing known chemical structures, or interpolating between molecules. Continuous represent...