Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it possible to transfer this progress to the domain of graphs? We propose to sidestep hurdles associated with linearization of such discrete structures by having a decoder output a probabilistic fully-connected graph of a predefined maximum size directly at once. Our method is formulated as a variational autoencoder. We evaluate on the challenging task of molecule generation.
Adversarial attacks are malicious inputs that derail machine-learning models. We propose a scheme to attack autoencoders, as well as a quantitative evaluation framework that correlates well with the qualitative assessment of the attacks. We assess --- with statistically validated experiments --- the resistance to attacks of three variational autoencoders (simple, convolutional, and DRAW) in three datasets (MNIST, SVHN, CelebA), showing that both DRAW's recurrence and attention mechanism lead to better resistance. As autoencoders are proposed for compressing data --- a scenario in which their s…
University of Waterloo（滑铁卢大学）；Waterloo Artificial Intelligence Institute（滑铁卢人工智能研究所）
In this study, we propose the Affine Variational Autoencoder (AVAE), a variant of Variational Autoencoder (VAE) designed to improve robustness by overcoming the inability of VAEs to generalize to distributional shifts in the form of affine perturbations. By optimizing an affine transform to maximize ELBO, the proposed AVAE transforms an input to the training distribution without the need to increase model complexity to model the full distribution of affine transforms. In addition, we introduce a training procedure to create an efficient model by learning a subset of the training distribution, …
Generative models for graph data are an important research topic in machine learning. Graph data comprise two levels that are typically analyzed separately: node-level properties such as the existence of a link between a pair of nodes, and global aggregate graph-level statistics, such as motif counts. This paper proposes a new multi-level framework that jointly models node-level properties and graph-level statistics, as mutually reinforcing sources of information. We introduce a new micro-macro training objective for graph generation that combines node-level and graph-level losses. We utilize …
In inference, open-set classification is to either classify a sample into a known class from training or reject it as an unknown class. Existing deep open-set classifiers train explicit closed-set classifiers, in some cases disjointly utilizing reconstruction, which we find dilutes the latent representation's ability to distinguish unknown classes. In contrast, we train our model to cooperatively learn reconstruction and perform class-based clustering in the latent space. With this, our Gaussian mixture variational autoencoder (GMVAE) achieves more accurate and robust open-set classification r…
Recently introduced EASE algorithm presents a simple and elegant way, how to solve the top-N recommendation task. In this paper, we introduce Neural EASE to further improve the performance of this algorithm by incorporating techniques for training modern neural networks. Also, there is a growing interest in the recsys community to utilize variational autoencoders (VAE) for this task. We introduce deep autoencoder FLVAE benefiting from multiple non-linear layers without an information bottleneck while not overfitting towards the identity. We show how to learn FLVAE in parallel with Neural EASE …
In this paper, we present an unsupervised probabilistic model and associated estimation algorithm for multi-object tracking (MOT) based on a dynamical variational autoencoder (DVAE), called DVAE-UMOT. The DVAE is a latent-variable deep generative model that can be seen as an extension of the variational autoencoder for the modeling of temporal sequences. It is included in DVAE-UMOT to model the objects' dynamics, after being pre-trained on an unlabeled synthetic dataset of single-object trajectories. Then the distributions and parameters of DVAE-UMOT are estimated on each multi-object sequence…
This paper proposes a method for performing continual learning of predictive models that facilitate the inference of future frames in video sequences. For a first given experience, an initial Variational Autoencoder, together with a set of fully connected neural networks are utilized to respectively learn the appearance of video frames and their dynamics at the latent space level. By employing an adapted Markov Jump Particle Filter, the proposed method recognizes new situations and integrates them as predictive models avoiding catastrophic forgetting of previously learned tasks. For evaluating…
Variational autoencoders often assume isotropic Gaussian priors and mean-field posteriors, hence do not exploit structure in scenarios where we may expect similarity or consistency across latent variables. Gaussian process variational autoencoders alleviate this problem through the use of a latent Gaussian process, but lead to a cubic inference time complexity. We propose a more scalable extension of these models by leveraging the independence of the auxiliary features, which is present in many datasets. Our model factorizes the latent kernel across these features in different dimensions, lead…
Google（谷歌公司）；Universiteit van Amsterdam（阿姆斯特丹大学）；Qualcomm（高通公司）
Variational autoencoders provide a principled framework for learning deep latent-variable models and corresponding inference models. In this work, we provide an introduction to variational autoencoders and some important extensions.
University of Oxford（牛津大学）；Northeastern University（东北大学）；Stanford University（斯坦福大学）；Microsoft Research（微软研究院）
We develop a framework for incorporating structured graphical models in the \emph{encoders} of variational autoencoders (VAEs) that allows us to induce interpretable representations through approximate variational inference. This allows us to both perform reasoning (e.g. classification) under the structural constraints of a given graphical model, and use deep generative models to deal with messy, high-dimensional domains where it is often difficult to model all the variation. Learning in this framework is carried out end-to-end with a variational objective, applying to both unsupervised and se…
University of Exeter（埃克塞特大学）；College of Engineering, Mathematics and Physical Sciences（工程、数学与物理科学学院）
Variational autoencdoers (VAE) are a popular approach to generative modelling. However, exploiting the capabilities of VAEs in practice can be difficult. Recent work on regularised and entropic autoencoders have begun to explore the potential, for generative modelling, of removing the variational approach and returning to the classic deterministic autoencoder (DAE) with additional novel regularisation methods. In this paper we empirically explore the capability of DAEs for image generation without additional novel methods and the effect of the implicit regularisation and smoothness of large ne…
MPI Tübingen（图宾根马普研究所）；Microsoft Research Cambridge（微软剑桥研究院）；ETH Zürich（苏黎世联邦理工学院）
Variational Autoencoders (VAEs) are expressive latent variable models that can be used to learn complex probability distributions from training data. However, the quality of the resulting model crucially relies on the expressiveness of the inference model. We introduce Adversarial Variational Bayes (AVB), a technique for training Variational Autoencoders with arbitrarily expressive inference models. We achieve this by introducing an auxiliary discriminative network that allows to rephrase the maximum-likelihood-problem as a two-player game, hence establishing a principled connection between VA…
We propose Unbalanced GANs, which pre-trains the generator of the generative adversarial network (GAN) using variational autoencoder (VAE). We guarantee the stable training of the generator by preventing the faster convergence of the discriminator at early epochs. Furthermore, we balance between the generator and the discriminator at early epochs and thus maintain the stabilized training of GANs. We apply Unbalanced GANs to well known public datasets and find that Unbalanced GANs reduce mode collapses. We also show that Unbalanced GANs outperform ordinary GANs in terms of stabilized learning, …
Shanghai Jiao Tong University（上海交通大学）；University of Technology Sydney（悉尼科技大学）
Learning in the latent variable model is challenging in the presence of the complex data structure or the intractable latent variable. Previous variational autoencoders can be low effective due to the straightforward encoder-decoder structure. In this paper, we propose a variational composite autoencoder to sidestep this issue by amortizing on top of the hierarchical latent variable model. The experimental results confirm the advantages of our model.
The unsupervised training of GANs and VAEs has enabled them to generate realistic images mimicking real-world distributions and perform image-based unsupervised clustering or semi-supervised classification. Combining the power of these two generative models, we introduce Multi-Adversarial Variational autoEncoder Networks (MAVENs), a novel network architecture that incorporates an ensemble of discriminators in a VAE-GAN network, with simultaneous adversarial learning and variational inference. We apply MAVENs to the generation of synthetic images and propose a new distribution measure to quanti…
In this paper, we provide an information-theoretic interpretation of the Vector Quantized-Variational Autoencoder (VQ-VAE). We show that the loss function of the original VQ-VAE can be derived from the variational deterministic information bottleneck (VDIB) principle. On the other hand, the VQ-VAE trained by the Expectation Maximization (EM) algorithm can be viewed as an approximation to the variational information bottleneck(VIB) principle.
ETH Zurich（苏黎世联邦理工学院）；University of Zurich（苏黎世大学）；Stanford University（斯坦福大学）；Stanford Stroke Center（斯坦福中风中心）；Institute for Biomedical Engineering（生物医学工程研究所）
We show that high quality, diverse and realistic-looking diffusion-weighted magnetic resonance images can be synthesized using deep generative models. Based on professional neuroradiologists' evaluations and diverse metrics with respect to quality and diversity of the generated synthetic brain images, we present two networks, the Introspective Variational Autoencoder and the Style-Based GAN, that qualify for data augmentation in the medical field, where information is saved in a dispatched and inhomogeneous way and access to it is in many aspects restricted.
University of California Santa Barbara（加州大学圣巴巴拉分校）
Variational language models seek to estimate the posterior of latent variables with an approximated variational posterior. The model often assumes the variational posterior to be factorized even when the true posterior is not. The learned variational posterior under this assumption does not capture the dependency relationships over latent variables. We argue that this would cause a typical training problem called posterior collapse observed in all other variational language models. We propose Gaussian Copula Variational Autoencoder (VAE) to avert this problem. Copula is widely used to model co…
RETINA-AI Health, Inc.（RETINA-AI健康公司）；MD Anderson Cancer Center（MD安德森癌症中心）
In Bayesian machine learning, the posterior distribution is typically computationally intractable, hence variational inference is often required. In this approach, an evidence lower bound on the log likelihood of data is maximized during training. Variational Autoencoders (VAE) are one important example where variational inference is utilized. In this tutorial, we derive the variational lower bound loss function of the standard variational autoencoder. We do so in the instance of a gaussian latent prior and gaussian approximate posterior, under which assumptions the Kullback-Leibler term in th…
This work gives an in-depth derivation of the trainable evidence lower bound obtained from the marginal joint log-Likelihood with the goal of training a Multi-Modal Variational Autoencoder (M$^2$VAE).
In this paper, we propose a multimodal transformer using parallel concatenated architecture. Instead of using patches, we use column stripes for images in R, G, B channels as the transformer input. The column stripes keep the spatial relations of original image. We incorporate the multimodal transformer with variational autoencoder for synthetic cross-modal data generation. The multimodal transformer is designed using multiple compression matrices, and it serves as encoders for Parallel Concatenated Variational AutoEncoders (PC-VAE). The PC-VAE consists of multiple encoders, one latent space, …
This paper introduces the Descriptive Variational Autoencoder (DVAE), an unsupervised and end-to-end trainable neural network for predicting vehicle trajectories that provides partial interpretability. The novel approach is based on the architecture and objective of common variational autoencoders. By introducing expert knowledge within the decoder part of the autoencoder, the encoder learns to extract latent parameters that provide a graspable meaning in human terms. Such an interpretable latent space enables the validation by expert defined rule sets. The evaluation of the DVAE is performed …
University of California, Santa Barbara（加州大学圣巴巴拉分校）；Carnegie Mellon University（卡内基梅隆大学）
We introduce an improved variational autoencoder (VAE) for text modeling with topic information explicitly modeled as a Dirichlet latent variable. By providing the proposed model topic awareness, it is more superior at reconstructing input texts. Furthermore, due to the inherent interactions between the newly introduced Dirichlet variable and the conventional multivariate Gaussian variable, the model is less prone to KL divergence vanishing. We derive the variational lower bound for the new model and conduct experiments on four different data sets. The results show that the proposed model is s…
Recently generative models have focused on combining the advantages of variational autoencoders (VAE) and generative adversarial networks (GAN) for good reconstruction and generative abilities. In this work we introduce a novel hybrid architecture, Implicit Discriminator in Variational Autoencoder (IDVAE), that combines a VAE and a GAN, which does not need an explicit discriminator network. The fundamental premise of the IDVAE architecture is that the encoder of a VAE and the discriminator of a GAN utilize common features and therefore can be trained as a shared network, while the decoder of t…
MIT Computer Science & Artificial Intelligence Lab（麻省理工学院计算机科学与人工智能实验室）
We seek to automate the design of molecules based on specific chemical properties. In computational terms, this task involves continuous embedding and generation of molecular graphs. Our primary contribution is the direct realization of molecular graphs, a task previously approached by generating linear SMILES strings instead of graphs. Our junction tree variational autoencoder generates molecular graphs in two phases, by first generating a tree-structured scaffold over chemical substructures, and then combining them into a molecule with a graph message passing network. This approach allows us…
The recognition network in deep latent variable models such as variational autoencoders (VAEs) relies on amortized inference for efficient posterior approximation that can scale up to large datasets. However, this technique has also been demonstrated to select suboptimal variational parameters, often resulting in considerable additional error called the amortization gap. To close the amortization gap and improve the training of the generative model, recent works have introduced an additional refinement step that applies stochastic variational inference (SVI) to improve upon the variational par…
We present an approach to quantify and compare the privacy-accuracy trade-off for differentially private Variational Autoencoders. Our work complements previous work in two aspects. First, we evaluate the the strong reconstruction MI attack against Variational Autoencoders under differential privacy. Second, we address the data scientist's challenge of setting privacy parameter epsilon, which steers the differential privacy strength and thus also the privacy-accuracy trade-off. In our experimental study we consider image and time series data, and three local and central differential privacy me…
Recently, the standard variational autoencoder has been successfully used to learn a probabilistic prior over speech signals, which is then used to perform speech enhancement. Variational autoencoders have then been conditioned on a label describing a high-level speech attribute (e.g. speech activity) that allows for a more explicit control of speech generation. However, the label is not guaranteed to be disentangled from the other latent variables, which results in limited performance improvements compared to the standard variational autoencoder. In this work, we propose to use an adversarial…
Recently, variational autoencoders have been successfully used to learn a probabilistic prior over speech signals, which is then used to perform speech enhancement. However, variational autoencoders are trained on clean speech only, which results in a limited ability of extracting the speech signal from noisy speech compared to supervised approaches. In this paper, we propose to guide the variational autoencoder with a supervised classifier separately trained on noisy speech. The estimated label is a high-level categorical variable describing the speech signal (e.g. speech activity) allowing f…
Variational autoencoders trained to minimize the reconstruction error are sensitive to the posterior collapse problem, that is the proposal posterior distribution is always equal to the prior. We propose a novel regularization method based on fraternal dropout to prevent posterior collapse. We evaluate our approach using several metrics and observe improvements in all the tested configurations.
This paper presents an infinite variational autoencoder (VAE) whose capacity adapts to suit the input data. This is achieved using a mixture model where the mixing coefficients are modeled by a Dirichlet process, allowing us to integrate over the coefficients when performing inference. Critically, this then allows us to automatically vary the number of autoencoders in the mixture based on the data. Experiments show the flexibility of our method, particularly for semi-supervised learning, where only a small number of training samples are available.
Variational autoencoders learn unsupervised data representations, but these models frequently converge to minima that fail to preserve meaningful semantic information. For example, variational autoencoders with autoregressive decoders often collapse into autodecoders, where they learn to ignore the encoder input. In this work, we demonstrate that adding an auxiliary decoder to regularize the latent space can prevent this collapse, but successful auxiliary decoding tasks are domain dependent. Auxiliary decoders can increase the amount of semantic information encoded in the latent space and visi…
Among likelihood-based approaches for deep generative modelling, variational autoencoders (VAEs) offer scalable amortized posterior inference and fast sampling. However, VAEs are also more and more outperformed by competing models such as normalizing flows (NFs), deep-energy models, or the new denoising diffusion probabilistic models (DDPMs). In this preliminary work, we improve VAEs by demonstrating how DDPMs can be used for modelling the prior distribution of the latent variables. The diffusion prior model improves upon Gaussian priors of classical VAEs and is competitive with NF-based prior…
King Abdullah University of Science and Technology（阿卜杜拉国王科技大学）
Variational autoencoders (VAE) often use Gaussian or category distribution to model the inference process. This puts a limit on variational learning because this simplified assumption does not match the true posterior distribution, which is usually much more sophisticated. To break this limitation and apply arbitrary parametric distribution during inference, this paper derives a \emph{semi-continuous} latent representation, which approximates a continuous density up to a prescribed precision, and is much easier to analyze than its continuous counterpart because it is fundamentally discrete. We…
The paper presents the application of Variational Autoencoders (VAE) for data dimensionality reduction and explorative analysis of mass spectrometry imaging data (MSI). The results confirm that VAEs are capable of detecting the patterns associated with the different tissue sub-types with performance than standard approaches.
Seoul National University（首尔大学）；Samsung Electronics Co. Ltd.（三星电子株式会社）
In this paper, we propose Squeezed Convolutional Variational AutoEncoder (SCVAE) for anomaly detection in time series data for Edge Computing in Industrial Internet of Things (IIoT). The proposed model is applied to labeled time series data from UCI datasets for exact performance evaluation, and applied to real world data for indirect model performance comparison. In addition, by comparing the models before and after applying Fire Modules from SqueezeNet, we show that model size and inference times are reduced while similar levels of performance is maintained.
Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院）；Nokia（诺基亚）
We evaluate the start-up of blind equalizers at critical working points, analyze the advantages and obstacles of commonly-used algorithms, and demonstrate how the recently-proposed variational autoencoder (VAE) based equalizers can improve bootstrapping.
Samsung AI Center Moscow（三星莫斯科人工智能中心）；Samsung-HSE Laboratory（三星-高等经济学院实验室）
We propose a single neural probabilistic model based on variational autoencoder that can be conditioned on an arbitrary subset of observed features and then sample the remaining features in "one shot". The features may be both real-valued and categorical. Training of the model is performed by stochastic variational Bayes. The experimental evaluation on synthetic data, as well as feature imputation and image inpainting problems, shows the effectiveness of the proposed approach and diversity of the generated samples.
Generative models of graphs are well-known, but many existing models are limited in scalability and expressivity. We present a novel sequential graphical variational autoencoder operating directly on graphical representations of data. In our model, the encoding and decoding of a graph as is framed as a sequential deconstruction and construction process, respectively, enabling the the learning of a latent space. Experiments on a cycle dataset show promise, but highlight the need for a relaxation of the distribution over node permutations.
The Variational AutoEncoder (VAE) learns simultaneously an inference and a generative model, but only one of these models can be learned at optimum, this behaviour is associated to the ELBO learning objective, that is optimised by a non-informative generator. In order to solve such an issue, we provide a learning objective, learning a maximal informative generator while maintaining bounded the network capacity: the Variational InfoMax (VIM). The contribution of the VIM derivation is twofold: an objective learning both an optimal inference and generative model and the explicit definition of the…
Variational autoencoders employ an amortized inference model to approximate the posterior of latent variables. However, such amortized variational inference faces two challenges: (1) the limited posterior expressiveness of fully-factorized Gaussian assumption and (2) the amortization error of the inference model. We present a novel approach that addresses both challenges. First, we focus on ReLU networks with Gaussian output and illustrate their connection to probabilistic PCA. Building on this observation, we derive an iterative algorithm that finds the mode of the posterior and apply full-co…
University of Florida（佛罗里达大学）；NEC Laboratories Europe（NEC欧洲实验室）
Although substantial efforts have been made to learn disentangled representations under the variational autoencoder (VAE) framework, the fundamental properties to the dynamics of learning of most VAE models still remain unknown and under-investigated. In this work, we first propose a novel learning objective, termed the principle-of-relevant-information variational autoencoder (PRI-VAE), to learn disentangled representations. We then present an information-theoretic perspective to analyze existing VAE models by inspecting the evolution of some critical information-theoretic quantities across t…
University of Copenhagen（哥本哈根大学）；Aalto University（阿尔托大学）；Technical University of Denmark（丹麦技术大学）
Variational Autoencoders are powerful models for unsupervised learning. However deep models with several layers of dependent stochastic variables are difficult to train which limits the improvements obtained using these highly expressive models. We propose a new inference model, the Ladder Variational Autoencoder, that recursively corrects the generative distribution by a data dependent approximate likelihood in a process resembling the recently proposed Ladder Network. We show that this model provides state of the art predictive log-likelihood and tighter log-likelihood lower bound compared t…
In recent years Variation Autoencoders have become one of the most popular unsupervised learning of complicated distributions.Variational Autoencoder (VAE) provides more efficient reconstructive performance over a traditional autoencoder. Variational auto enocders make better approximaiton than MCMC. The VAE defines a generative process in terms of ancestral sampling through a cascade of hidden stochastic layers. They are a directed graphic models. Variational autoencoder is trained to maximise the variational lower bound. Here we are trying maximise the likelihood and also at the same time we…
Through training on unlabeled data, anomaly detection has the potential to impact computer-aided diagnosis by outlining suspicious regions. Previous work on deep-learning-based anomaly detection has primarily focused on the reconstruction error. We argue instead, that pixel-wise anomaly ratings derived from a Variational Autoencoder based score approximation yield a theoretically better grounded and more faithful estimate. In our experiments, Variational Autoencoder gradient-based rating outperforms other approaches on unsupervised pixel-wise tumor detection on the BraTS-2017 dataset with a RO…
In just three years, Variational Autoencoders (VAEs) have emerged as one of the most popular approaches to unsupervised learning of complicated distributions. VAEs are appealing because they are built on top of standard function approximators (neural networks), and can be trained with stochastic gradient descent. VAEs have already shown promise in generating many kinds of complicated data, including handwritten digits, faces, house numbers, CIFAR images, physical models of scenes, segmentation, and predicting the future from static images. This tutorial introduces the intuitions behind VAEs, e…
We propose a molecular generative model based on the conditional variational autoencoder for de novo molecular design. It is specialized to control multiple molecular properties simultaneously by imposing them on a latent space. As a proof of concept, we demonstrate that it can be used to generate drug-like molecules with five target properties. We were also able to adjust a single property without changing the others and to manipulate it beyond the range of the dataset.
Recent increase in popularity of indoor climbing allows possible applications of deep learning algorthms to classify and generate climbing routes. In this work, we employ a variational autoencoder to climbing routes in a standardized training apparatus MoonBoard, a well-known training tool within the climbing community. By sampling the encoded latent space, it is observed that the algorithm can generate high quality climbing routes. 22 generated problems are uploaded to the Moonboard app for user review. This algorithm could serve as a first step to facilitate indoor climbing route setting.
The Hong Kong University of Science and Technology（香港科技大学）；The Education University of Hong Kong（香港教育大学）
We investigate a variant of variational autoencoders where there is a superstructure of discrete latent variables on top of the latent features. In general, our superstructure is a tree structure of multiple super latent variables and it is automatically learned from data. When there is only one latent variable in the superstructure, our model reduces to one that assumes the latent features to be generated from a Gaussian mixture model. We call our model the latent tree variational autoencoder (LTVAE). Whereas previous deep learning methods for clustering produce only one partition of data, LT…
Stanford University（斯坦福大学）；Facebook AI Research（Facebook人工智能研究院）
Variational autoencoders (VAE) are directed generative models that learn factorial latent variables. As noted by Burda et al. (2015), these models exhibit the problem of factor over-pruning where a significant number of stochastic factors fail to learn anything and become inactive. This can limit their modeling power and their ability to learn diverse and meaningful latent representations. In this paper, we evaluate several methods to address this problem and propose a more effective model-based approach called the epitomic variational autoencoder (eVAE). The so-called epitomes of this model a…
Recently proposed normalizing flow models such as Glow have been shown to be able to generate high quality, high dimensional images with relatively fast sampling speed. Due to their inherently restrictive architecture, however, it is necessary that they are excessively deep in order to train effectively. In this paper we propose to combine Glow with an underlying variational autoencoder in order to counteract this issue. We demonstrate that our proposed model is competitive with Glow in terms of image quality and test likelihood while requiring far less time for training.
