In variational inference, the benefits of Bayesian models rely on accurately capturing the true posterior distribution. We propose using neural samplers that specify implicit distributions, which are well-suited for approximating complex multimodal and correlated posteriors in high-dimensional spaces. Our approach introduces novel bounds for approximate inference using implicit distributions by locally linearising the neural sampler. This is distinct from existing methods that rely on additional discriminator networks and unstable adversarial objectives. Furthermore, we present a new sampler architecture that, for the first time, enables implicit distributions over tens of millions of latent variables, addressing computational concerns by using differentiable numerical approximations. We empirically show that our method is capable of recovering correlations across layers in large Bayesian neural networks, a property that is crucial for a network's performance but notoriously challenging to achieve. To the best of our knowledge, no other method has been shown to accomplish this task for such large models. Through experiments in downstream tasks, we demonstrate that our expressive posteriors outperform state-of-the-art uncertainty quantification methods, validating the effectiveness of our training algorithm and the quality of the learned implicit approximation.

Bayesian inference and kernel methods are well established in machine learning. The neural network Gaussian process in particular provides a concept to investigate neural networks in the limit of infinitely wide hidden layers by using kernel and inference methods. Here we build upon this limit and provide a field-theoretic formalism which covers the generalization properties of infinitely wide networks. We systematically compute generalization properties of linear, non-linear, and deep non-linear networks for kernel matrices with heterogeneous entries. In contrast to currently employed spectral methods we derive the generalization properties from the statistical properties of the input, elucidating the interplay of input dimensionality, size of the training data set, and variability of the data. We show that data variability leads to a non-Gaussian action reminiscent of a ($\varphi^3+\varphi^4$)-theory. Using our formalism on a synthetic task and on MNIST we obtain a homogeneous kernel matrix approximation for the learning curve as well as corrections due to data variability which allow the estimation of the generalization properties and exact results for the bounds of the learning curves in the case of infinitely many training data points.

We present the new Orthogonal Polynomials Approximation Algorithm (OPAA), a parallelizable algorithm that solves two problems from a functional analytic approach: first, it finds a smooth functional estimate of a density function, whether it is normalized or not; second, the algorithm provides an estimate of the normalizing weight. In the context of Bayesian inference, OPAA provides an estimate of the posterior function as well as the normalizing weight, which is also known as the evidence. A core component of OPAA is a special transform of the square root of the joint distribution into a special functional space of our construct. Through this transform, the evidence is equated with the $L^2$ norm of the transformed function, squared. Hence, the evidence can be estimated by the sum of squares of the transform coefficients. The computations can be parallelized and completed in one pass. To compute the transform coefficients, OPAA proposes a new computational scheme leveraging Gauss--Hermite quadrature in higher dimensions. Not only does it avoid the potential high variance problem associated with random sampling methods, it also enables one to speed up the computation by parallelization, and significantly reduces the complexity by a vector decomposition.

We consider an unknown multivariate function representing a system-such as a complex numerical simulator-taking both deterministic and uncertain inputs. Our objective is to estimate the set of deterministic inputs leading to outputs whose probability (with respect to the distribution of the uncertain inputs) of belonging to a given set is less than a given threshold. This problem, which we call Quantile Set Inversion (QSI), occurs for instance in the context of robust (reliability-based) optimization problems, when looking for the set of solutions that satisfy the constraints with sufficiently large probability. To solve the QSI problem, we propose a Bayesian strategy based on Gaussian process modeling and the Stepwise Uncertainty Reduction (SUR) principle, to sequentially choose the points at which the function should be evaluated to efficiently approximate the set of interest. We illustrate the performance and interest of the proposed SUR strategy through several numerical experiments.

Conditional sampling of variational autoencoders (VAEs) is needed in various applications, such as missing data imputation, but is computationally intractable. A principled choice for asymptotically exact conditional sampling is Metropolis-within-Gibbs (MWG). However, we observe that the tendency of VAEs to learn a structured latent space, a commonly desired property, can cause the MWG sampler to get "stuck" far from the target distribution. This paper mitigates the limitations of MWG: we systematically outline the pitfalls in the context of VAEs, propose two original methods that address these pitfalls, and demonstrate an improved performance of the proposed methods on a set of sampling tasks.

This paper studies the learning-to-control problem under process and sensing uncertainties for dynamical systems. In our previous work, we developed a data-based generalization of the iterative linear quadratic regulator (iLQR) to design closed-loop feedback control for high-dimensional dynamical systems with partial state observation. This method required perfect simulation rollouts which are not realistic in real applications. In this work, we briefly introduce this method and explore its efficacy under process and sensing uncertainties. We prove that in the fully observed case where the system dynamics are corrupted with noise but the measurements are perfect, it still converges to the global minimum. However, in the partially observed case where both process and measurement noise exist in the system, this method converges to a biased "optimum". Thus multiple rollouts need to be averaged to retrieve the true optimum. The analysis is verified in two nonlinear robotic examples simulated in the above cases.

One of the goals of causal inference is to generalize from past experiments and observational data to novel conditions. While it is in principle possible to eventually learn a mapping from a novel experimental condition to an outcome of interest, provided a sufficient variety of experiments is available in the training data, coping with a large combinatorial space of possible interventions is hard. Under a typical sparse experimental design, this mapping is ill-posed without relying on heavy regularization or prior distributions. Such assumptions may or may not be reliable, and can be hard to defend or test. In this paper, we take a close look at how to warrant a leap from past experiments to novel conditions based on minimal assumptions about the factorization of the distribution of the manipulated system, communicated in the well-understood language of factor graph models. A postulated $\textit{interventional factor model}$ (IFM) may not always be informative, but it conveniently abstracts away a need for explicitly modeling unmeasured confounding and feedback mechanisms, leading to directly testable claims. Given an IFM and datasets from a collection of experimental regimes, we derive conditions for identifiability of the expected outcomes of new regimes never observed in these training data. We implement our framework using several efficient algorithms, and apply them on a range of semi-synthetic experiments.

Real-time density estimation is ubiquitous in many applications, including computer vision and signal processing. Kernel density estimation is arguably one of the most commonly used density estimation techniques, and the use of "sliding window" mechanism adapts kernel density estimators to dynamic processes. In this paper, we derive the asymptotic mean integrated squared error (AMISE) upper bound for the "sliding window" kernel density estimator. This upper bound provides a principled guide to devise a novel estimator, which we name the temporal adaptive kernel density estimator (TAKDE). Compared to heuristic approaches for "sliding window" kernel density estimator, TAKDE is theoretically optimal in terms of the worst-case AMISE. We provide numerical experiments using synthetic and real-world datasets, showing that TAKDE outperforms other state-of-the-art dynamic density estimators (including those outside of kernel family). In particular, TAKDE achieves a superior test log-likelihood with a smaller runtime.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there were finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, many real-world data are not naturally posed in the setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions, and then convert the GPs into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is further developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications.

The dominant approach in recent literature on causal discovery from interventional data is optimization of a model score. Although the scoring is straightforward in the sense that the optimization over DAGs refers to fully specified joint models for all observational and interventional data, the optimization landscape is very high-dimensional, making score-based algorithms infeasible for graphs with hundreds/thousands of nodes that are common in biological applications. This makes causal discovery difficult, in addition to many other challenges that remain such as departing from restrictive genericity assumptions on the underlying distributions and developing methodology for high-dimensional settings. In this article, to address these challenges, we depart from a score-based strategy and leverage special properties of polytrees to obtain a highly scalable "local" approach that learns from low-dimensional marginals. Our methods yield fast and consistent algorithms to learn linear Gaussian polytrees from interventional data.