This paper describes a new library for learning Bayesian networks from data containing discrete and continuous variables (mixed data). In addition to the classical learning methods on discretized data, this library proposes its algorithm that allows structural learning and parameters learning from mixed data without discretization since data discretization leads to information loss. This algorithm based on mixed MI score function for structural learning, and also linear regression and Gaussian distribution approximation for parameters learning. The library also offers two algorithms for enumerating graph structures - the greedy Hill-Climbing algorithm and the evolutionary algorithm. Thus the key capabilities of the proposed library are as follows: (1) structural and parameters learning of a Bayesian network on discretized data, (2) structural and parameters learning of a Bayesian network on mixed data using the MI mixed score function and Gaussian approximation, (3) launching learning algorithms on one of two algorithms for enumerating graph structures - Hill-Climbing and the evolutionary algorithm. Since the need for mixed data representation comes from practical necessity, the advantages of our implementations are evaluated in the context of solving approximation and gap recovery problems on synthetic data and real datasets.

This paper explores the use of factor graphs as an inference and analysis tool for Bayesian peer-to-peer decentralized data fusion. We propose a framework by which agents can each use local factor graphs to represent relevant partitions of a complex global joint probability distribution, thus allowing them to avoid reasoning over the entirety of a more complex model and saving communication as well as computation cost. This allows heterogeneous multi-robot systems to cooperate on a variety of real world, task oriented missions, where scalability and modularity are key. To develop the initial theory and analyze the limits of this approach, we focus our attention on static linear Gaussian systems in tree-structured networks and use Channel Filters (also represented by factor graphs) to explicitly track common information. We discuss how this representation can be used to describe various multi-robot applications and to design and analyze new heterogeneous data fusion algorithms. We validate our method in simulations of a multi-agent multi-target tracking and cooperative multi-agent mapping problems, and discuss the computation and communication gains of this approach.

Many modern time-series datasets contain large numbers of output response variables sampled for prolonged periods of time. For example, in neuroscience, the activities of 100s-1000's of neurons are recorded during behaviors and in response to sensory stimuli. Multi-output Gaussian process models leverage the nonparametric nature of Gaussian processes to capture structure across multiple outputs. However, this class of models typically assumes that the correlations between the output response variables are invariant in the input space. Stochastic linear mixing models (SLMM) assume the mixture coefficients depend on input, making them more flexible and effective to capture complex output dependence. However, currently, the inference for SLMMs is intractable for large datasets, making them inapplicable to several modern time-series problems. In this paper, we propose a new regression framework, the orthogonal stochastic linear mixing model (OSLMM) that introduces an orthogonal constraint amongst the mixing coefficients. This constraint reduces the computational burden of inference while retaining the capability to handle complex output dependence. We provide Markov chain Monte Carlo inference procedures for both SLMM and OSLMM and demonstrate superior model scalability and reduced prediction error of OSLMM compared with state-of-the-art methods on several real-world applications. In neurophysiology recordings, we use the inferred latent functions for compact visualization of population responses to auditory stimuli, and demonstrate superior results compared to a competing method (GPFA). Together, these results demonstrate that OSLMM will be useful for the analysis of diverse, large-scale time-series datasets.

Simulation models of scientific interest often lack a tractable likelihood function, precluding standard likelihood-based statistical inference. A popular likelihood-free method for inferring simulator parameters is approximate Bayesian computation, where an approximate posterior is sampled by comparing simulator output and observed data. However, effective measures of closeness between simulated and observed data are generally difficult to construct, particularly for time series data which are often high-dimensional and structurally complex. Existing approaches typically involve manually constructing summary statistics, requiring substantial domain expertise and experimentation, or rely on unrealistic assumptions such as iid data. Others are inappropriate in more complex settings like multivariate or irregularly sampled time series data. In this paper, we introduce the use of path signatures as a natural candidate feature set for constructing distances between time series data for use in approximate Bayesian computation algorithms. Our experiments show that such an approach can generate more accurate approximate Bayesian posteriors than existing techniques for time series models.

We investigate a stochastic counterpart of majority votes over finite ensembles of classifiers, and study its generalization properties. While our approach holds for arbitrary distributions, we instantiate it with Dirichlet distributions: this allows for a closed-form and differentiable expression for the expected risk, which then turns the generalization bound into a tractable training objective. The resulting stochastic majority vote learning algorithm achieves state-of-the-art accuracy and benefits from (non-vacuous) tight generalization bounds, in a series of numerical experiments when compared to competing algorithms which also minimize PAC-Bayes objectives -- both with uninformed (data-independent) and informed (data-dependent) priors.

Frequently, population studies feature pyramidally-organized data represented using Hierarchical Bayesian Models (HBM) enriched with plates. These models can become prohibitively large in settings such as neuroimaging, where a sample is composed of a functional MRI signal measured on 64 thousand brain locations, across 4 measurement sessions, and at least tens of subjects. Even a reduced example on a specific cortical region of 300 brain locations features around 1 million parameters, hampering the usage of modern density estimation techniques such as Simulation-Based Inference (SBI). To infer parameter posterior distributions in this challenging class of problems, we designed a novel methodology that automatically produces a variational family dual to a target HBM. This variatonal family, represented as a neural network, consists in the combination of an attention-based hierarchical encoder feeding summary statistics to a set of normalizing flows. Our automatically-derived neural network exploits exchangeability in the plate-enriched HBM and factorizes its parameter space. The resulting architecture reduces by orders of magnitude its parameterization with respect to that of a typical SBI representation, while maintaining expressivity. Our method performs inference on the specified HBM in an amortized setup: once trained, it can readily be applied to a new data sample to compute the parameters' full posterior. We demonstrate the capability of our method on simulated data, as well as a challenging high-dimensional brain parcellation experiment. We also open up several questions that lie at the intersection between SBI techniques and structured Variational Inference.

Bayesian neural networks utilize probabilistic layers that capture uncertainty over weights and activations, and are trained using Bayesian inference. Since these probabilistic layers are designed to be drop-in replacement of their deterministic counter parts, Bayesian neural networks provide a direct and natural way to extend conventional deep neural networks to support probabilistic deep learning. However, it is nontrivial to understand, design and train Bayesian neural networks due to their complexities. We discuss the essentials of Bayesian neural networks including duality (deep neural networks, probabilistic models), approximate Bayesian inference, Bayesian priors, Bayesian posteriors, and deep variational learning. We use TensorFlow Probability APIs and code examples for illustration. The main problem with Bayesian neural networks is that the architecture of deep neural networks makes it quite redundant, and costly, to account for uncertainty for a large number of successive layers. Hybrid Bayesian neural networks, which use few probabilistic layers judicially positioned in the networks, provide a practical solution.

In active learning, new labels are commonly acquired in batches. However, common acquisition functions are only meant for one-sample acquisition rounds at a time, and when their scores are used naively for batch acquisition, they result in batches lacking diversity, which deteriorates performance. On the other hand, state-of-the-art batch acquisition functions are costly to compute. In this paper, we present a novel class of stochastic acquisition functions that extend one-sample acquisition functions to the batch setting by observing how one-sample acquisition scores change as additional samples are acquired and modelling this difference for additional batch samples. We simply acquire new samples by sampling from the pool set using a Gibbs distribution based on the acquisition scores. Our acquisition functions are both vastly cheaper to compute and out-perform other batch acquisition functions.

Approximate Bayesian inference for neural networks is considered a robust alternative to standard training, often providing good performance on out-of-distribution data. However, Bayesian neural networks (BNNs) with high-fidelity approximate inference via full-batch Hamiltonian Monte Carlo achieve poor generalization under covariate shift, even underperforming classical estimation. We explain this surprising result, showing how a Bayesian model average can in fact be problematic under covariate shift, particularly in cases where linear dependencies in the input features cause a lack of posterior contraction. We additionally show why the same issue does not affect many approximate inference procedures, or classical maximum a-posteriori (MAP) training. Finally, we propose novel priors that improve the robustness of BNNs to many sources of covariate shift.

Ensembles of deep neural networks have achieved great success recently, but they do not offer a proper Bayesian justification. Moreover, while they allow for averaging of predictions over several hypotheses, they do not provide any guarantees for their diversity, leading to redundant solutions in function space. In contrast, particle-based inference methods, such as Stein variational gradient descent (SVGD), offer a Bayesian framework, but rely on the choice of a kernel to measure the similarity between ensemble members. In this work, we study different SVGD methods operating in the weight space, function space, and in a hybrid setting. We compare the SVGD approaches to other ensembling-based methods in terms of their theoretical properties and assess their empirical performance on synthetic and real-world tasks. We find that SVGD using functional and hybrid kernels can overcome the limitations of deep ensembles. It improves on functional diversity and uncertainty estimation and approaches the true Bayesian posterior more closely. Moreover, we show that using stochastic SVGD updates, as opposed to the standard deterministic ones, can further improve the performance.