Clustering algorithms have wide applications and play an important role in data analysis fields including time series data analysis. However, in time series analysis, most of the algorithms used signal shape features or the initial value of hidden variable of a neural network. Little has been discussed on the methods based on the generative model of the time series. In this paper, we propose a new clustering algorithm focusing on the generative process of the signal with a recurrent neural network and the variational Bayes method. Our experiments show that the proposed algorithm not only has a robustness against for phase shift, amplitude and signal length variations but also provide a flexible clustering based on the property of the variational Bayes method.
In this paper we propose mmFall - a novel fall detection system, which comprises of (i) the emerging millimeter-wave (mmWave) radar sensor to collect the human body's point cloud along with the body centroid, and (ii) a variational recurrent autoencoder (VRAE) to compute the anomaly level of the body motion based on the acquired point cloud. A fall is claimed to have occurred when the spike in anomaly level and the drop in centroid height occur simultaneously. The mmWave radar sensor provides several advantages, such as privacycompliance and high-sensitivity to motion, over the traditional sen…
Autoencoders gained popularity in the deep learning revolution given their ability to compress data and provide dimensionality reduction. Although prominent deep learning methods have been used to enhance autoencoders, the need to provide robust uncertainty quantification remains a challenge. This has been addressed with variational autoencoders so far. Bayesian inference via Markov Chain Monte Carlo (MCMC) sampling has faced several limitations for large models; however, recent advances in parallel computing and advanced proposal schemes have opened routes less traveled. This paper presents B…
Recurrent neural networks (RNNs) have been extraordinarily successful for prediction with sequential data. To tackle highly variable and noisy real-world data, we introduce Particle Filter Recurrent Neural Networks (PF-RNNs), a new RNN family that explicitly models uncertainty in its internal structure: while an RNN relies on a long, deterministic latent state vector, a PF-RNN maintains a latent state distribution, approximated as a set of particles. For effective learning, we provide a fully differentiable particle filter algorithm that updates the PF-RNN latent state distribution according t…
Okinawa Institute of Science and Technology（冲绳科学技术大学院大学）；Korea Advanced Institute of Science and Technology（韩国科学技术院）
This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differ…
Xidian University（西安电子科技大学）；The University of Texas at Austin（得克萨斯大学奥斯汀分校）
To simultaneously capture syntax and global semantics from a text corpus, we propose a new larger-context recurrent neural network (RNN) based language model, which extracts recurrent hierarchical semantic structure via a dynamic deep topic model to guide natural language generation. Moving beyond a conventional RNN-based language model that ignores long-range word dependencies and sentence order, the proposed model captures not only intra-sentence word dependencies, but also temporal transitions between sentences and inter-sentence topic dependencies. For inference, we develop a hybrid of sto…
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.
Recurrent neural networks (RNNs) stand at the forefront of many recent developments in deep learning. Yet a major difficulty with these models is their tendency to overfit, with dropout shown to fail when applied to recurrent layers. Recent results at the intersection of Bayesian modelling and deep learning offer a Bayesian interpretation of common deep learning techniques such as dropout. This grounding of dropout in approximate Bayesian inference suggests an extension of the theoretical results, offering insights into the use of dropout with RNN models. We apply this new variational inferenc…
The recently developed variational autoencoders (VAEs) have proved to be an effective confluence of the rich representational power of neural networks with Bayesian methods. However, most work on VAEs use a rather simple prior over the latent variables such as standard normal distribution, thereby restricting its applications to relatively simple phenomena. In this work, we propose hierarchical nonparametric variational autoencoders, which combines tree-structured Bayesian nonparametric priors with VAEs, to enable infinite flexibility of the latent representation space. Both the neural paramet…
Variational Autoencoder for Generating Broader-Spectrum prior Proposals in Markov chain Monte Carlo Methods
Department One（部门一）；Department Two（部门二）；National Laboratory for Scientific Computing（国家科学计算实验室）；Department of Mathematical Sciences, The University of Texas at Dallas（数学科学系，德克萨斯大学达拉斯分校）
We develop a data driven approach to perform clustering and end-to-end feature learning simultaneously for streaming data that can adaptively detect novel clusters in emerging data. Our approach, Adaptive Nonparametric Variational Autoencoder (AdapVAE), learns the cluster membership through a Bayesian Nonparametric (BNP) modeling framework with Deep Neural Networks (DNNs) for feature learning. We develop a joint online variational inference algorithm to learn feature representations and clustering assignments simultaneously via iteratively optimizing the Evidence Lower Bound (ELBO). We resolve…
Pohang University of Science and Technology（浦项科技大学）
The variational autoencoder (VAE) is a generative model with continuous latent variables where a pair of probabilistic encoder (bottom-up) and decoder (top-down) is jointly learned by stochastic gradient variational Bayes. We first elaborate Gaussian VAE, approximating the local covariance matrix of the decoder as an outer product of the principal direction at a position determined by a sample drawn from Gaussian distribution. We show that this model, referred to as VAE-ROC, better captures the data manifold, compared to the standard Gaussian VAE where independent multivariate Gaussian was use…
Cornell University（康奈尔大学）；Imperial College London（帝国理工学院）；Microsoft Research（微软研究院）
Variational inference (VI) plays an essential role in approximate Bayesian inference due to its computational efficiency and broad applicability. Crucial to the performance of VI is the selection of the associated divergence measure, as VI approximates the intractable distribution by minimizing this divergence. In this paper we propose a meta-learning algorithm to learn the divergence metric suited for the task of interest, automating the design of VI methods. In addition, we learn the initialization of the variational parameters without additional cost when our method is deployed in the few-s…
Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and design. In this work, we assess the predictive capabilities of a molecular generative model developed based on variational inference and graph theory in the small data regime. Physical constraints that encourage energetically stable molecules are proposed. The encoding network is based on the scattering transform with adaptive spectral filters to allow for bette…
Building on recent research for prediction of hurricane trajectories using recurrent neural networks (RNNs), we have developed improved methods and generalized the approach to predict Bayesian intervals in addition to simple point estimates. Tropical storms are capable of causing severe damage, so accurately predicting their trajectories can bring significant benefits to cities and lives, especially as they grow more intense due to climate change effects. By implementing the Bayesian interval using dropout in an RNN, we improve the actionability of the predictions, for example by estimating th…
Recent progress in autoencoder-based sparse identification of nonlinear dynamics (SINDy) under $\ell_1$ constraints allows joint discoveries of governing equations and latent coordinate systems from spatio-temporal data, including simulated video frames. However, it is challenging for $\ell_1$-based sparse inference to perform correct identification for real data due to the noisy measurements and often limited sample sizes. To address the data-driven discovery of physics in the low-data and high-noise regimes, we propose Bayesian SINDy autoencoders, which incorporate a hierarchical Bayesian sp…
Recurrent Neural Networks (RNN) received a vast amount of attention last decade. Recently, the architectures of Recurrent AutoEncoders (RAE) found many applications in practice. RAE can extract the semantically valuable information, called context that represents a latent space useful for further processing. Nevertheless, recurrent autoencoders are hard to train, and the training process takes much time. In this paper, we propose an autoencoder architecture with sequence-aware encoding, which employs 1D convolutional layer to improve its performance in terms of model training time. We prove th…
National Research University Higher School of Economics（国立研究型大学高等经济学院）；Samsung AI Center（三星人工智能中心）
In natural language processing, a lot of the tasks are successfully solved with recurrent neural networks, but such models have a huge number of parameters. The majority of these parameters are often concentrated in the embedding layer, which size grows proportionally to the vocabulary length. We propose a Bayesian sparsification technique for RNNs which allows compressing the RNN dozens or hundreds of times without time-consuming hyperparameters tuning. We also generalize the model for vocabulary sparsification to filter out unnecessary words and compress the RNN even further. We show that th…
Recurrent neural networks (RNNs) are nonlinear dynamical models commonly used in the machine learning and dynamical systems literature to represent complex dynamical or sequential relationships between variables. More recently, as deep learning models have become more common, RNNs have been used to forecast increasingly complicated systems. Dynamical spatio-temporal processes represent a class of complex systems that can potentially benefit from these types of models. Although the RNN literature is expansive and highly developed, uncertainty quantification is often ignored. Even when considere…
In this work we explore a straightforward variational Bayes scheme for Recurrent Neural Networks. Firstly, we show that a simple adaptation of truncated backpropagation through time can yield good quality uncertainty estimates and superior regularisation at only a small extra computational cost during training, also reducing the amount of parameters by 80\%. Secondly, we demonstrate how a novel kind of posterior approximation yields further improvements to the performance of Bayesian RNNs. We incorporate local gradient information into the approximate posterior to sharpen it around the current…
EURECOM（欧洲通信学院）；CSIRO’s Data61（澳大利亚联邦科学与工业研究组织Data61）；The University of Sydney（悉尼大学）
We develop a novel method for carrying out model selection for Bayesian autoencoders (BAEs) by means of prior hyper-parameter optimization. Inspired by the common practice of type-II maximum likelihood optimization and its equivalence to Kullback-Leibler divergence minimization, we propose to optimize the distributional sliced-Wasserstein distance (DSWD) between the output of the autoencoder and the empirical data distribution. The advantages of this formulation are that we can estimate the DSWD based on samples and handle high-dimensional problems. We carry out posterior estimation of the BAE…
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…
University of Cambridge（剑桥大学）；Alan Turing Institute（艾伦·图灵研究所）；Microsoft Research（微软研究院）
Despite their successes, deep neural networks may make unreliable predictions when faced with test data drawn from a distribution different to that of the training data, constituting a major problem for AI safety. While this has recently motivated the development of methods to detect such out-of-distribution (OoD) inputs, a robust solution is still lacking. We propose a new probabilistic, unsupervised approach to this problem based on a Bayesian variational autoencoder model, which estimates a full posterior distribution over the decoder parameters using stochastic gradient Markov chain Monte …
The problem of detecting the Out-of-Distribution (OoD) inputs is of paramount importance for Deep Neural Networks. It has been previously shown that even Deep Generative Models that allow estimating the density of the inputs may not be reliable and often tend to make over-confident predictions for OoDs, assigning to them a higher density than to the in-distribution data. This over-confidence in a single model can be potentially mitigated with Bayesian inference over the model parameters that take into account epistemic uncertainty. This paper investigates three approaches to Bayesian inference…
Variational Autoencoders (VAEs) have experienced recent success as data-generating models by using simple architectures that do not require significant fine-tuning of hyperparameters. However, VAEs are known to suffer from over-regularization which can lead to failure to escape local maxima. This phenomenon, known as posterior collapse, prevents learning a meaningful latent encoding of the data. Recent methods have mitigated this issue by deterministically moment-matching an aggregated posterior distribution to an aggregate prior. However, abandoning a probabilistic framework (and thus relying…
New York University（纽约大学）；BigHat Biosciences（BigHat生物科学公司）
Bayesian optimization (BayesOpt) is a gold standard for query-efficient continuous optimization. However, its adoption for drug design has been hindered by the discrete, high-dimensional nature of the decision variables. We develop a new approach (LaMBO) which jointly trains a denoising autoencoder with a discriminative multi-task Gaussian process head, allowing gradient-based optimization of multi-objective acquisition functions in the latent space of the autoencoder. These acquisition functions allow LaMBO to balance the explore-exploit tradeoff over multiple design rounds, and to balance ob…
The problem of estimating event truths from conflicting agent opinions in a social network is investigated. An autoencoder learns the complex relationships between event truths, agent reliabilities and agent observations. A Bayesian network model is proposed to guide the learning process by modeling the relationship of the autoencoder's outputs with different variables. At the same time, it also models the social relationships between agents in the network. The proposed approach is unsupervised and is applicable when ground truth labels of events are unavailable. A variational inference method…
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…
We extend Stochastic Gradient Variational Bayes to perform posterior inference for the weights of Stick-Breaking processes. This development allows us to define a Stick-Breaking Variational Autoencoder (SB-VAE), a Bayesian nonparametric version of the variational autoencoder that has a latent representation with stochastic dimensionality. We experimentally demonstrate that the SB-VAE, and a semi-supervised variant, learn highly discriminative latent representations that often outperform the Gaussian VAE's.
UT-Battelle, LLC（UT-巴特尔有限责任公司）；U.S. Department of Energy（美国能源部）
Unsupervised and semi-supervised ML methods such as variational autoencoders (VAE) have become widely adopted across multiple areas of physics, chemistry, and materials sciences due to their capability in disentangling representations and ability to find latent manifolds for classification and regression of complex experimental data. Like other ML problems, VAEs require hyperparameter tuning, e.g., balancing the Kullback Leibler (KL) and reconstruction terms. However, the training process and resulting manifold topology and connectivity depend not only on hyperparameters, but also their evolut…
Massachusetts Institute of Technology（麻省理工学院）；Woods Hole Oceanographic Institution（伍兹霍尔海洋研究所）
The gap between our ability to collect interesting data and our ability to analyze these data is growing at an unprecedented rate. Recent algorithmic attempts to fill this gap have employed unsupervised tools to discover structure in data. Some of the most successful approaches have used probabilistic models to uncover latent thematic structure in discrete data. Despite the success of these models on textual data, they have not generalized as well to image data, in part because of the spatial and temporal structure that may exist in an image stream. We introduce a novel unsupervised machine le…
A Bayesian Non-parametric Approach to Generative Models: Integrating Variational Autoencoder and Generative Adversarial Networks using Wasserstein and Maximum Mean Discrepancy
Department of Statistics and Actuarial Science University of Hong Kong（统计与精算科学系香港大学）
Generative Adversarial Networks (GANs) have been used in many different applications to generate realistic synthetic data. We introduce a novel GAN with Autoencoder (GAN-AE) architecture to generate synthetic samples for variable length, multi-feature sequence datasets. In this model, we develop a GAN architecture with an additional autoencoder component, where recurrent neural networks (RNNs) are used for each component of the model in order to generate synthetic data to improve classification accuracy for a highly imbalanced medical device dataset. In addition to the medical device dataset, …
Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on DAGs, including neural networks and Bayesian networks. In this paper, we study deep generative models for DAGs, and propose a novel DAG variational autoencoder (D-VAE). To encode DAGs into the latent space, we leverage graph neural networks. We propose an asynchronous message passing scheme that allows encoding the computations on DAGs, rather than using exist…
University of California, Los Angeles（加利福尼亚大学洛杉矶分校）；Cambridge University（剑桥大学）
Recurrent neural networks (RNNs) are instrumental in modelling sequential and time-series data. Yet, when using RNNs to inform decision-making, predictions by themselves are not sufficient; we also need estimates of predictive uncertainty. Existing approaches for uncertainty quantification in RNNs are based predominantly on Bayesian methods; these are computationally prohibitive, and require major alterations to the RNN architecture and training. Capitalizing on ideas from classical jackknife resampling, we develop a frequentist alternative that: (a) does not interfere with model training or c…
Variational autoencoders were proven successful in domains such as computer vision and speech processing. Their adoption for modeling user preferences is still unexplored, although recently it is starting to gain attention in the current literature. In this work, we propose a model which extends variational autoencoders by exploiting the rich information present in the past preference history. We introduce a recurrent version of the VAE, where instead of passing a subset of the whole history regardless of temporal dependencies, we rather pass the consumption sequence subset through a recurrent…
Oden Institute for Computational Engineering and Sciences（奥登计算工程与科学研究所）；The University of Texas at Austin（德克萨斯大学奥斯汀分校）
In recent years, the field of machine learning has made phenomenal progress in the pursuit of simulating real-world data generation processes. One notable example of such success is the variational autoencoder (VAE). In this work, with a small shift in perspective, we leverage and adapt VAEs for a different purpose: uncertainty quantification in scientific inverse problems. We introduce UQ-VAE: a flexible, adaptive, hybrid data/model-informed framework for training neural networks capable of rapid modelling of the posterior distribution representing the unknown parameter of interest. Specifica…
University of Texas at Arlington（德克萨斯大学阿灵顿分校）；Tencent AI Lab（腾讯人工智能实验室）
Molecule generation is to design new molecules with specific chemical properties and further to optimize the desired chemical properties. Following previous work, we encode molecules into continuous vectors in the latent space and then decode the vectors into molecules under the variational autoencoder (VAE) framework. We investigate the posterior collapse problem of current RNN-based VAEs for molecule sequence generation. For the first time, we find that underestimated reconstruction loss leads to posterior collapse, and provide both theoretical and experimental evidence. We propose an effect…
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 …
Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it tends to produce invalid molecular structures. First, we demonstrate empirically that this pathology arises when the Bayesian optimization scheme queries latent points far away from the data on which the variational autoencoder has been trained. Secondly, by reformulating the search procedure as a constrained Bayesian optimization problem, we show that the ef…
Universidad de Málaga（马拉加大学）；Leiden University（莱顿大学）
Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a time-consuming task, where the search space is typically a mixture of real, integer and categorical values. To allow for shrinking and expanding the size of the network, the representation of architectures often has a variable length. In this paper, we propose to tackle the architecture optimization problem with a variant of the Bayesian Optimization (BO) algorithm. To r…
Matrix factorization (MF) has been widely applied to collaborative filtering in recommendation systems. Its Bayesian variants can derive posterior distributions of user and item embeddings, and are more robust to sparse ratings. However, the Bayesian methods are restricted by their update rules for the posterior parameters due to the conjugacy of the priors and the likelihood. Variational autoencoders (VAE) can address this issue by capturing complex mappings between the posterior parameters and the data. However, current research on VAEs for collaborative filtering only considers the mappings…
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…
This is a tutorial and survey paper on Generative Adversarial Network (GAN), adversarial autoencoders, and their variants. We start with explaining adversarial learning and the vanilla GAN. Then, we explain the conditional GAN and DCGAN. The mode collapse problem is introduced and various methods, including minibatch GAN, unrolled GAN, BourGAN, mixture GAN, D2GAN, and Wasserstein GAN, are introduced for resolving this problem. Then, maximum likelihood estimation in GAN are explained along with f-GAN, adversarial variational Bayes, and Bayesian GAN. Then, we cover feature matching in GAN, InfoG…
Spatio-temporal forecasting has numerous applications in analyzing wireless, traffic, and financial networks. Many classical statistical models often fall short in handling the complexity and high non-linearity present in time-series data. Recent advances in deep learning allow for better modelling of spatial and temporal dependencies. While most of these models focus on obtaining accurate point forecasts, they do not characterize the prediction uncertainty. In this work, we consider the time-series data as a random realization from a nonlinear state-space model and target Bayesian inference o…
We present Ordinary Differential Equation Variational Auto-Encoder (ODE$^2$VAE), a latent second order ODE model for high-dimensional sequential data. Leveraging the advances in deep generative models, ODE$^2$VAE can simultaneously learn the embedding of high dimensional trajectories and infer arbitrarily complex continuous-time latent dynamics. Our model explicitly decomposes the latent space into momentum and position components and solves a second order ODE system, which is in contrast to recurrent neural network (RNN) based time series models and recently proposed black-box ODE techniques.…
We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate collaborative filtering research.We introduce a generative model with multinomial likelihood and use Bayesian inference for parameter estimation. Despite widespread use in language modeling and economics, the multinomial likelihood receives less attention in the recommender systems literature. We introduce a different regularization parameter for the learning obj…
Oxford-Man Institute of Quantitative Finance（牛津-曼氏定量金融学研究所）
Despite the recent popularity of deep generative state space models, few comparisons have been made between network architectures and the inference steps of the Bayesian filtering framework -- with most models simultaneously approximating both state transition and update steps with a single recurrent neural network (RNN). In this paper, we introduce the Recurrent Neural Filter (RNF), a novel recurrent autoencoder architecture that learns distinct representations for each Bayesian filtering step, captured by a series of encoders and decoders. Testing this on three real-world time series dataset…
National Research University Higher School of Economics（国立研究大学高等经济学院）；Kaspersky Lab（卡巴斯基实验室）；Lomonosov Moscow State University（莫斯科国立大学）；Yandex
Recurrent neural networks show state-of-the-art results in many text analysis tasks but often require a lot of memory to store their weights. Recently proposed Sparse Variational Dropout eliminates the majority of the weights in a feed-forward neural network without significant loss of quality. We apply this technique to sparsify recurrent neural networks. To account for recurrent specifics we also rely on Binary Variational Dropout for RNN. We report 99.5% sparsity level on sentiment analysis task without a quality drop and up to 87% sparsity level on language modeling task with slight loss o…
Due to the importance of uncertainty quantification (UQ), Bayesian approach to inverse problems has recently gained popularity in applied mathematics, physics, and engineering. However, traditional Bayesian inference methods based on Markov Chain Monte Carlo (MCMC) tend to be computationally intensive and inefficient for such high dimensional problems. To address this issue, several methods based on surrogate models have been proposed to speed up the inference process. More specifically, the calibration-emulation-sampling (CES) scheme has been proven to be successful in large dimensional UQ pr…
