Uncertainty
Bayesian Alignments of Warped Multi-Output Gaussian Processes
Kaiser, Markus, Otte, Clemens, Runkler, Thomas, Ek, Carl Henrik
We propose a novel Bayesian approach to modelling nonlinear alignments of time series based on latent shared information. We apply the method to the real-world problem of finding common structure in the sensor data of wind turbines introduced by the underlying latent and turbulent wind field. The proposed model allows for both arbitrary alignments of the inputs and non-parametric output warpings to transform the observations. This gives rise to multiple deep Gaussian process models connected via latent generating processes. We present an efficient variational approximation based on nested variational compression and show how the model can be used to extract shared information between dependent time series, recovering an interpretable functional decomposition of the learning problem. We show results for an artificial data set and real-world data of two wind turbines.
Causal Inference via Kernel Deviance Measures
Mitrovic, Jovana, Sejdinovic, Dino, Teh, Yee Whye
Discovering the causal structure among a set of variables is a fundamental problem in many areas of science. In this paper, we propose Kernel Conditional Deviance for Causal Inference (KCDC) a fully nonparametric causal discovery method based on purely observational data. From a novel interpretation of the notion of asymmetry between cause and effect, we derive a corresponding asymmetry measure using the framework of reproducing kernel Hilbert spaces. Based on this, we propose three decision rules for causal discovery. We demonstrate the wide applicability and robustness of our method across a range of diverse synthetic datasets. Furthermore, we test our method on real-world time series data and the real-world benchmark dataset Tรผbingen Cause-Effect Pairs where we outperform state-of-the-art approaches.
Online Structure Learning for Feed-Forward and Recurrent Sum-Product Networks
Kalra, Agastya, Rashwan, Abdullah, Hsu, Wei-Shou, Poupart, Pascal, Doshi, Prashant, Trimponias, Georgios
Sum-product networks have recently emerged as an attractive representation due to their dual view as a special type of deep neural network with clear semantics and a special type of probabilistic graphical model for which inference is always tractable. Those properties follow from some conditions (i.e., completeness and decomposability) that must be respected by the structure of the network. As a result, it is not easy to specify a valid sum-product network by hand and therefore structure learning techniques are typically used in practice. This paper describes a new online structure learning technique for feed-forward and recurrent SPNs. The algorithm is demonstrated on real-world datasets with continuous features for which it is not clear what network architecture might be best, including sequence datasets of varying length.
Large-Scale Stochastic Sampling from the Probability Simplex
Baker, Jack, Fearnhead, Paul, Fox, Emily, Nemeth, Christopher
Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space the time-discretization error can dominate when we are near the boundary of the space. We demonstrate that because of this, current SGMCMC methods for the simplex struggle with sparse simplex spaces; when many of the components are close to zero. Unfortunately, many popular large-scale Bayesian models, such as network or topic models, require inference on sparse simplex spaces. To avoid the biases caused by this discretization error, we propose the stochastic Cox-Ingersoll-Ross process (SCIR), which removes all discretization error and we prove that samples from the SCIR process are asymptotically unbiased. We discuss how this idea can be extended to target other constrained spaces. Use of the SCIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.
Transfer of Value Functions via Variational Methods
Tirinzoni, Andrea, Sanchez, Rafael Rodriguez, Restelli, Marcello
We consider the problem of transferring value functions in reinforcement learning. We propose an approach that uses the given source tasks to learn a prior distribution over optimal value functions and provide an efficient variational approximation of the corresponding posterior in a new target task. We show our approach to be general, in the sense that it can be combined with complex parametric function approximators and distribution models, while providing two practical algorithms based on Gaussians and Gaussian mixtures. We theoretically analyze them by deriving a finite-sample analysis and provide a comprehensive empirical evaluation in four different domains.
Deep State Space Models for Unconditional Word Generation
Schmidt, Florian, Hofmann, Thomas
Autoregressive feedback is considered a necessity for successful unconditional text generation using stochastic sequence models. However, such feedback is known to introduce systematic biases into the training process and it obscures a principle of generation: committing to global information and forgetting local nuances. We show that a non-autoregressive deep state space model with a clear separation of global and local uncertainty can be built from only two ingredients: An independent noise source and a deterministic transition function. Recent advances on flow-based variational inference can be used to train an evidence lower-bound without resorting to annealing, auxiliary losses or similar measures. The result is a highly interpretable generative model on par with comparable auto-regressive models on the task of word generation.
Information Constraints on Auto-Encoding Variational Bayes
Lopez, Romain, Regier, Jeffrey, Jordan, Michael I., Yosef, Nir
Parameterizing the approximate posterior of a generative model with neural networks has become a common theme in recent machine learning research. While providing appealing flexibility, this approach makes it difficult to impose or assess structural constraints such as conditional independence. We propose a framework for learning representations that relies on Auto-Encoding Variational Bayes and whose search space is constrained via kernel-based measures of independence. In particular, our method employs the $d$-variable Hilbert-Schmidt Independence Criterion (dHSIC) to enforce independence between the latent representations and arbitrary nuisance factors. We show how to apply this method to a range of problems, including the problems of learning invariant representations and the learning of interpretable representations. We also present a full-fledged application to single-cell RNA sequencing (scRNA-seq). In this setting the biological signal in mixed in complex ways with sequencing errors and sampling effects. We show that our method out-performs the state-of-the-art in this domain.
Dimensionally Tight Bounds for Second-Order Hamiltonian Monte Carlo
Mangoubi, Oren, Vishnoi, Nisheeth
Hamiltonian Monte Carlo (HMC) is a widely deployed method to sample from high-dimensional distributions in Statistics and Machine learning. HMC is known to run very efficiently in practice and its popular second-order ``leapfrog" implementation has long been conjectured to run in $d^{1/4}$ gradient evaluations. Here we show that this conjecture is true when sampling from strongly log-concave target distributions that satisfy a weak third-order regularity property associated with the input data. Our regularity condition is weaker than the Lipschitz Hessian property and allows us to show faster convergence bounds for a much larger class of distributions than would be possible with the usual Lipschitz Hessian constant alone. Important distributions that satisfy our regularity condition include posterior distributions used in Bayesian logistic regression for which the data satisfies an ``incoherence" property. Our result compares favorably with the best available bounds for the class of strongly log-concave distributions, which grow like $d^{{1}/{2}}$ gradient evaluations with the dimension. Moreover, our simulations on synthetic data suggest that, when our regularity condition is satisfied, leapfrog HMC performs better than its competitors -- both in terms of accuracy and in terms of the number of gradient evaluations it requires.
Automating Bayesian optimization with Bayesian optimization
Malkomes, Gustavo, Garnett, Roman
Bayesian optimization is a powerful tool for global optimization of expensive functions. One of its key components is the underlying probabilistic model used for the objective function f. In practice, however, it is often unclear how one should appropriately choose a model, especially when gathering data is expensive. In this work, we introduce a novel automated Bayesian optimization approach that dynamically selects promising models for explaining the observed data using Bayesian Optimization in the model space. Crucially, we account for the uncertainty in the choice of model; our method is capable of using multiple models to represent its current belief about f and subsequently using this information for decision making. We argue, and demonstrate empirically, that our approach automatically finds suitable models for the objective function, which ultimately results in more-efficient optimization.
A Bayes-Sard Cubature Method
Karvonen, Toni, Oates, Chris J., Sarkka, Simo
This paper focusses on the formulation of numerical integration as an inferential task. To date, research effort has largely focussed on the development of Bayesian cubature, whose distributional output provides uncertainty quantification for the integral. However, the point estimators associated to Bayesian cubature can be inaccurate and acutely sensitive to the prior when the domain is high-dimensional. To address these drawbacks we introduce Bayes-Sard cubature, a probabilistic framework that combines the flexibility of Bayesian cubature with the robustness of classical cubatures which are well-established. This is achieved by considering a Gaussian process model for the integrand whose mean is a parametric regression model, with an improper prior on each regression coefficient. The features in the regression model consist of test functions which are guaranteed to be exactly integrated, with remaining degrees of freedom afforded to the non-parametric part. The asymptotic convergence of the Bayes-Sard cubature method is established and the theoretical results are numerically verified. In particular, we report two orders of magnitude reduction in error compared to Bayesian cubature in the context of a high-dimensional financial integral.