With only observational data on two variables, and without other assumptions, it is not possible to infer which one causes the other. Much of the causal literature has focused on guaranteeing identifiability of causal direction in statistical models for datasets where strong assumptions hold, such as additive noise or restrictions on parameter count. These methods are then subsequently tested on realistic datasets, most of which violate their assumptions. Building on previous attempts, we show how to use causal assumptions within the Bayesian framework. This allows us to specify models with realistic assumptions, while also encoding independent causal mechanisms, leading to an asymmetry between the causal directions. Identifying causal direction then becomes a Bayesian model selection problem. We analyse why Bayesian model selection works for known identifiable cases and flexible model classes, while also providing correctness guarantees about its behaviour. To demonstrate our approach, we construct a Bayesian non-parametric model that can flexibly model the joint. We then outperform previous methods on a wide range of benchmark datasets with varying data generating assumptions showing the usefulness of our method.

Boosting is a commonly used technique to enhance the performance of a set of base models by combining them into a strong ensemble model. Though widely adopted, boosting is typically used in supervised learning where the data is labeled accurately. However, in weakly supervised learning, where most of the data is labeled through weak and noisy sources, it remains nontrivial to design effective boosting approaches. In this work, we show that the standard implementation of the convex combination of base learners can hardly work due to the presence of noisy labels. Instead, we propose $\textit{LocalBoost}$, a novel framework for weakly-supervised boosting. LocalBoost iteratively boosts the ensemble model from two dimensions, i.e., intra-source and inter-source. The intra-source boosting introduces locality to the base learners and enables each base learner to focus on a particular feature regime by training new base learners on granularity-varying error regions. For the inter-source boosting, we leverage a conditional function to indicate the weak source where the sample is more likely to appear. To account for the weak labels, we further design an estimate-then-modify approach to compute the model weights. Experiments on seven datasets show that our method significantly outperforms vanilla boosting methods and other weakly-supervised methods.

Deep Ensembles (DEs) demonstrate improved accuracy, calibration and robustness to perturbations over single neural networks partly due to their functional diversity. Particle-based variational inference (ParVI) methods enhance diversity by formalizing a repulsion term based on a network similarity kernel. However, weight-space repulsion is inefficient due to over-parameterization, while direct function-space repulsion has been found to produce little improvement over DEs. To sidestep these difficulties, we propose First-order Repulsive Deep Ensemble (FoRDE), an ensemble learning method based on ParVI, which performs repulsion in the space of first-order input gradients. As input gradients uniquely characterize a function up to translation and are much smaller in dimension than the weights, this method guarantees that ensemble members are functionally different. Intuitively, diversifying the input gradients encourages each network to learn different features, which is expected to improve the robustness of an ensemble. Experiments on image classification datasets show that FoRDE significantly outperforms the gold-standard DEs and other ensemble methods in accuracy and calibration under covariate shift due to input perturbations.

In this paper, we study sampling from a posterior derived from a neural network. We propose a new probabilistic model consisting of adding noise at every pre- and post-activation in the network, arguing that the resulting posterior can be sampled using an efficient Gibbs sampler. The Gibbs sampler attains similar performances as the state-of-the-art Monte Carlo Markov chain methods, such as the Hamiltonian Monte Carlo or the Metropolis adjusted Langevin algorithm, both on real and synthetic data. By framing our analysis in the teacher-student setting, we introduce a thermalization criterion that allows us to detect when an algorithm, when run on data with synthetic labels, fails to sample from the posterior. The criterion is based on the fact that in the teacher-student setting we can initialize an algorithm directly at equilibrium.

We address the tasks of Bayesian state estimation and forecasting for a model-free process in an unsupervised learning setup. In the article, we propose DANSE -- a Data-driven Nonlinear State Estimation method. DANSE provides a closed-form posterior of the state of the model-free process, given linear measurements of the state. In addition, it provides a closed-form posterior for forecasting. A data-driven recurrent neural network (RNN) is used in DANSE to provide the parameters of a prior of the state. The prior depends on the past measurements as input, and then we find the closed-form posterior of the state using the current measurement as input. The data-driven RNN captures the underlying non-linear dynamics of the model-free process. The training of DANSE, mainly learning the parameters of the RNN, is executed using an unsupervised learning approach. In unsupervised learning, we have access to a training dataset comprising only a set of measurement data trajectories, but we do not have any access to the state trajectories. Therefore, DANSE does not have access to state information in the training data and can not use supervised learning. Using simulated linear and non-linear process models (Lorenz attractor and Chen attractor), we evaluate the unsupervised learning-based DANSE. We show that the proposed DANSE, without knowledge of the process model and without supervised learning, provides a competitive performance against model-driven methods, such as the Kalman filter (KF), extended KF (EKF), unscented KF (UKF), and a recently proposed hybrid method called KalmanNet.

Models of many real-life applications, such as queuing models of communication networks or computing systems, have a countably infinite state-space. Algorithmic and learning procedures that have been developed to produce optimal policies mainly focus on finite state settings, and do not directly apply to these models. To overcome this lacuna, in this work we study the problem of optimal control of a family of discrete-time countable state-space Markov Decision Processes (MDPs) governed by an unknown parameter $\theta\in\Theta$, and defined on a countably-infinite state space $\mathcal X=\mathbb{Z}_+^d$, with finite action space $\mathcal A$, and an unbounded cost function. We take a Bayesian perspective with the random unknown parameter $\boldsymbol{\theta}^*$ generated via a given fixed prior distribution on $\Theta$. To optimally control the unknown MDP, we propose an algorithm based on Thompson sampling with dynamically-sized episodes: at the beginning of each episode, the posterior distribution formed via Bayes' rule is used to produce a parameter estimate, which then decides the policy applied during the episode. To ensure the stability of the Markov chain obtained by following the policy chosen for each parameter, we impose ergodicity assumptions. From this condition and using the solution of the average cost Bellman equation, we establish an $\tilde O(\sqrt{|\mathcal A|T})$ upper bound on the Bayesian regret of our algorithm, where $T$ is the time-horizon. Finally, to elucidate the applicability of our algorithm, we consider two different queuing models with unknown dynamics, and show that our algorithm can be applied to develop approximately optimal control algorithms.

We propose a unified approach to obtain structured sparse optimal paths in the latent space of a variational autoencoder (VAE) using dynamic programming and Gumbel propagation. We solve the classical optimal path problem by a probability softening solution, called the stochastic optimal path, and transform a wide range of DP problems into directed acyclic graphs in which all possible paths follow a Gibbs distribution. We show the equivalence of the Gibbs distribution to a message-passing algorithm by the properties of the Gumbel distribution and give all the ingredients required for variational Bayesian inference. Our approach obtaining latent optimal paths enables end-to-end training for generative tasks in which models rely on the information of unobserved structural features. We validate the behavior of our approach and showcase its applicability in two real-world applications: text-to-speech and singing voice synthesis.

Commonly used objective functions (losses) for a supervised optimization of discriminative neural network classifiers were either distribution-based or metric-based. The distribution-based losses could compromise the generalization or cause classification biases towards the dominant classes of an imbalanced class-sample distribution. The metric-based losses could make the network model independent of any distribution and thus improve its generalization. However, they could still be biased towards the dominant classes and could suffer from discrepancies when a class was absent in both the reference (ground truth) and the predicted labels. In this paper, we proposed a novel optimization process which not only tackled the unbalancedness of the class-sample distribution of the training samples but also provided a mechanism to tackle errors in the reference labels of the training samples. This was achieved by proposing a novel algorithm to find candidate classification labels of the training samples from their prior probabilities and the currently estimated posteriors on the network and a novel objective function for the optimizations. The algorithm was the result of casting the generalized Kelly criterion for optimal betting into a multiclass classification problem. The proposed objective function was the expected free energy of a prospective active inference and could incorporate the candidate labels, the original reference labels, and the priors of the training samples while still being distribution-based. The incorporation of the priors into the optimization not only helped to tackle errors in the reference labels but also allowed to reduce classification biases towards the dominant classes by focusing the attention of the neural network on important but minority foreground classes.

Kernelized Stein discrepancy (KSD) is a score-based discrepancy widely used in goodness-of-fit tests. It can be applied even when the target distribution has an unknown normalising factor, such as in Bayesian analysis. We show theoretically and empirically that the KSD test can suffer from low power when the target and the alternative distributions have the same well-separated modes but differ in mixing proportions. We propose to perturb the observed sample via Markov transition kernels, with respect to which the target distribution is invariant. This allows us to then employ the KSD test on the perturbed sample. We provide numerical evidence that with suitably chosen transition kernels the proposed approach can lead to substantially higher power than the KSD test.

Predictive dynamical models for marine ecosystems are used for a variety of needs. Due to sparse measurements and limited understanding of the myriad of ocean processes, there is however significant uncertainty. There is model uncertainty in the parameter values, functional forms with diverse parameterizations, level of complexity needed, and thus in the state fields. We develop a Bayesian model learning methodology that allows interpolation in the space of candidate models and discovery of new models from noisy, sparse, and indirect observations, all while estimating state fields and parameter values, as well as the joint PDFs of all learned quantities. We address the challenges of high-dimensional and multidisciplinary dynamics governed by PDEs by using state augmentation and the computationally efficient GMM-DO filter. Our innovations include stochastic formulation and complexity parameters to unify candidate models into a single general model as well as stochastic expansion parameters within piecewise function approximations to generate dense candidate model spaces. These innovations allow handling many compatible and embedded candidate models, possibly none of which are accurate, and learning elusive unknown functional forms. Our new methodology is generalizable, interpretable, and extrapolates out of the space of models to discover new ones. We perform a series of twin experiments based on flows past a ridge coupled with three-to-five component ecosystem models, including flows with chaotic advection. The probabilities of known, uncertain, and unknown model formulations, and of state fields and parameters, are updated jointly using Bayes' law. Non-Gaussian statistics, ambiguity, and biases are captured. The parameter values and model formulations that best explain the data are identified. When observations are sufficiently informative, model complexity and functions are discovered.