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This paper presents a simulator-assisted training method (SimVAE) for variational autoencoders (VAE) that leads to a disentangled and interpretable latent space. Training SimVAE is a two-step process in which first a deep generator network(decoder) is trained to approximate the simulator. During this step, the simulator acts as the data source or as a teacher network. Then an inference network (encoder)is trained to invert the decoder. As such, upon complete training, the encoder represents an approximately inverted simulator. By decoupling the training of the encoder and decoder we bypass some of the difficulties that arise in training generative models such as VAEs and generative adversarial networks (GANs). We show applications of our approach in a variety of domains such as circuit design, graphics de-rendering and other natural science problems that involve inference via simulation.
We propose a new technique that boosts the convergence of training generative adversarial networks. Generally, the rate of training deep models reduces severely after multiple iterations. A key reason for this phenomenon is that a deep network is expressed using a highly non-convex finite-dimensional model, and thus the parameter gets stuck in a local optimum. Because of this, methods often suffer not only from degeneration of the convergence speed but also from limitations in the representational power of the trained network. To overcome this issue, we propose an additional layer called the gradient layer to seek a descent direction in an infinite-dimensional space. Because the layer is constructed in the infinite-dimensional space, we are not restricted by the specific model structure of finite-dimensional models. As a result, we can get out of the local optima in finite-dimensional models and move towards the global optimal function more directly. In this paper, this phenomenon is explained from the functional gradient method perspective of the gradient layer. Interestingly, the optimization procedure using the gradient layer naturally constructs the deep structure of the network. Moreover, we demonstrate that this procedure can be regarded as a discretization method of the gradient flow that naturally reduces the objective function. Finally, the method is tested using several numerical experiments, which show its fast convergence.
Despite recent advances, the remaining bottlenecks in deep generative models are necessity of extensive training and difficulties with generalization from small number of training examples. We develop a new generative model called Generative Matching Network which is inspired by the recently proposed matching networks for one-shot learning in discriminative tasks. By conditioning on the additional input dataset, our model can instantly learn new concepts that were not available in the training data but conform to a similar generative process. The proposed framework does not explicitly restrict diversity of the conditioning data and also does not require an extensive inference procedure for training or adaptation. Our experiments on the Omniglot dataset demonstrate that Generative Matching Networks significantly improve predictive performance on the fly as more additional data is available and outperform existing state of the art conditional generative models.
Neural samplers such as variational autoencoders (VAEs) or generative adversarial networks (GANs) approximate distributions by transforming samples from a simple random source---the latent space---to samples from a more complex distribution represented by a dataset. While the manifold hypothesis implies that the density induced by a dataset contains large regions of low density, the training criterions of VAEs and GANs will make the latent space densely covered. Consequently points that are separated by low-density regions in observation space will be pushed together in latent space, making stationary distances poor proxies for similarity. We transfer ideas from Riemannian geometry to this setting, letting the distance between two points be the shortest path on a Riemannian manifold induced by the transformation. The method yields a principled distance measure, provides a tool for visual inspection of deep generative models, and an alternative to linear interpolation in latent space. In addition, it can be applied for robot movement generalization using previously learned skills. The method is evaluated on a synthetic dataset with known ground truth; on a simulated robot arm dataset; on human motion capture data; and on a generative model of handwritten digits.
We propose a deep generative Markov State Model (DeepGenMSM) learning framework for inference of metastable dynamical systems and prediction of trajectories. After unsupervised training on time series data, the model contains (i) a probabilistic encoder that maps from high-dimensional configuration space to a small-sized vector indicating the membership to metastable (long-lived) states, (ii) a Markov chain that governs the transitions between metastable states and facilitates analysis of the long-time dynamics, and (iii) a generative part that samples the conditional distribution of configurations in the next time step. The model can be operated in a recursive fashion to generate trajectories to predict the system evolution from a defined starting state and propose new configurations. The DeepGenMSM is demonstrated to provide accurate estimates of the long-time kinetics and generate valid distributions for molecular dynamics (MD) benchmark systems. Remarkably, we show that DeepGenMSMs are able to make long time-steps in molecular configuration space and generate physically realistic structures in regions that were not seen in training data.
We provide a series of results for unsupervised learning with autoencoders. Specifically, we study shallow two-layer autoencoder architectures with shared weights. We focus on three generative models for data that are common in statistical machine learning: (i) the mixture-of-gaussians model, (ii) the sparse coding model, and (iii) the sparsity model with non-negative coefficients. For each of these models, we prove that under suitable choices of hyperparameters, architectures, and initialization, autoencoders learned by gradient descent can successfully recover the parameters of the corresponding model. To our knowledge, this is the first result that rigorously studies the dynamics of gradient descent for weight-sharing autoencoders. Our analysis can be viewed as theoretical evidence that shallow autoencoder modules indeed can be used as feature learning mechanisms for a variety of data models, and may shed insight on how to train larger stacked architectures with autoencoders as basic building blocks.