We propose in this paper, STANLEY, a STochastic gradient ANisotropic LangEvin dYnamics, for sampling high dimensional data. With the growing efficacy and potential of Energy-Based modeling, also known as non-normalized probabilistic modeling, for modeling a generative process of different natures of high dimensional data observations, we present an end-to-end learning algorithm for Energy-Based models (EBM) with the purpose of improving the quality of the resulting sampled data points. While the unknown normalizing constant of EBMs makes the training procedure intractable, resorting to Markov Chain Monte Carlo (MCMC) is in general a viable option. Realizing what MCMC entails for the EBM training, we propose in this paper, a novel high dimensional sampling method, based on an anisotropic stepsize and a gradient-informed covariance matrix, embedded into a discretized Langevin diffusion. We motivate the necessity for an anisotropic update of the negative samples in the Markov Chain by the nonlinearity of the backbone of the EBM, here a Convolutional Neural Network. Our resulting method, namely STANLEY, is an optimization algorithm for training Energy-Based models via our newly introduced MCMC method. We provide a theoretical understanding of our sampling scheme by proving that the sampler leads to a geometrically uniformly ergodic Markov Chain. Several image generation experiments are provided in our paper to show the effectiveness of our method.

The key challenge underlying machine learning is generalisation to new data. This work studies generalisation for datasets consisting of related tasks that may differ in causal mechanisms. For example, observational medical data for complex diseases suffers from heterogeneity in causal mechanisms of disease across patients, creating challenges for machine learning algorithms that need to generalise to new patients outside of the training dataset. Common approaches for learning supervised models with heterogeneous datasets include learning a global model for the entire dataset, learning local models for each tasks' data, or utilising hierarchical, meta-learning and multi-task learning approaches to learn how to generalise from data pooled across multiple tasks. In this paper we propose causal similarity-based hierarchical Bayesian models to improve generalisation to new tasks by learning how to pool data from training tasks with similar causal mechanisms. We apply this general modelling principle to Bayesian neural networks and compare a variety of methods for estimating causal task similarity (for both known and unknown causal models). We demonstrate the benefits of our approach and applicability to real world problems through a range of experiments on simulated and real data.

Inference on modern Bayesian Neural Networks (BNNs) often relies on a variational inference treatment, imposing violated assumptions of independence and the form of the posterior. Traditional MCMC approaches avoid these assumptions at the cost of increased computation due to its incompatibility to subsampling of the likelihood. New Piecewise Deterministic Markov Process (PDMP) samplers permit subsampling, though introduce a model specific inhomogenous Poisson Process (IPPs) which is difficult to sample from. This work introduces a new generic and adaptive thinning scheme for sampling from these IPPs, and demonstrates how this approach can accelerate the application of PDMPs for inference in BNNs. Experimentation illustrates how inference with these methods is computationally feasible, can improve predictive accuracy, MCMC mixing performance, and provide informative uncertainty measurements when compared against other approximate inference schemes.

We commonly encounter the problem of identifying an optimally weight adjusted version of the empirical distribution of observed data, adhering to predefined constraints on the weights. Such constraints often manifest as restrictions on the moments, tail behaviour, shapes, number of modes, etc., of the resulting weight adjusted empirical distribution. In this article, we substantially enhance the flexibility of such methodology by introducing a nonparametrically imbued distributional constraints on the weights, and developing a general framework leveraging the maximum entropy principle and tools from optimal transport. The key idea is to ensure that the maximum entropy weight adjusted empirical distribution of the observed data is close to a pre-specified probability distribution in terms of the optimal transport metric while allowing for subtle departures. The versatility of the framework is demonstrated in the context of three disparate applications where data re-weighting is warranted to satisfy side constraints on the optimization problem at the heart of the statistical task: namely, portfolio allocation, semi-parametric inference for complex surveys, and ensuring algorithmic fairness in machine learning algorithms.

While high-dimensional data has been ubiquitous for some time, the use of longitudinal high-dimensional data or grouped (clustered) high-dimensional data has been recently increasing in research. For example, some genetic studies gather gene expression levels for an individual on multiple occasions in response to an exposure over time (Banchereau et al., 2016). Other ongoing studies - like the UK Biobank and the Adolescent Brain Cognitive Development Study - collect high-dimensional genetic/imaging information longitudinally to learn how individual changes in these markers are related to outcomes (Cole, 2020; Saragosa-Harris et al., 2022). Such data usually violates the traditional linear regression assumption that observations are independently and identically distributed. Data analysis should account for the dependence between observations belonging to the same individual. For the low dimensional setting where n p, extensive methodology is available for handling such data structures, e.g., linear mixed models (LMMs). The fields of LMMs and high-dimensional linear regression have extensive bodies of literature. However, they are largely separate, with a very narrow body of literature existing at the intersection of LMMs and high-dimensional longitudinal data (where p n). Unlike low-dimensional (p n) LMMs for which restricted maximum likelihood (REML) methods are readily available, fitting high-dimensional LMMs is considerably more challenging due to the non-convexity of the optimization function, which requires the inversion of large matrices in addition to iterative approaches. The few available methods for highdimensional LMMs rely on sparsity-inducing penalizations (e.g.

Bayesian Flow Networks (BFNs) has been recently proposed as one of the most promising direction to universal generative modelling, having ability to learn any of the data type. Their power comes from the expressiveness of neural networks and Bayesian inference which make them suitable in the context of continual learning. We delve into the mechanics behind BFNs and conduct the experiments to empirically verify the generative capabilities on non-stationary data.

Natural gradient methods have been used to optimise the parameters of probability distributions in a variety of settings, often resulting in fast-converging procedures. Unfortunately, for many distributions of interest, computing the natural gradient has a number of challenges. In this work we propose a novel technique for tackling such issues, which involves reframing the optimisation as one with respect to the parameters of a surrogate distribution, for which computing the natural gradient is easy. We give several examples of existing methods that can be interpreted as applying this technique, and propose a new method for applying it to a wide variety of problems. Our method expands the set of distributions that can be efficiently targeted with natural gradients. Furthermore, it is fast, easy to understand, simple to implement using standard autodiff software, and does not require lengthy model-specific derivations. We demonstrate our method on maximum likelihood estimation and variational inference tasks.

Anomaly detection methods identify examples that do not follow the expected behaviour, typically in an unsupervised fashion, by assigning real-valued anomaly scores to the examples based on various heuristics. These scores need to be transformed into actual predictions by thresholding, so that the proportion of examples marked as anomalies equals the expected proportion of anomalies, called contamination factor. Unfortunately, there are no good methods for estimating the contamination factor itself. We address this need from a Bayesian perspective, introducing a method for estimating the posterior distribution of the contamination factor of a given unlabeled dataset. We leverage on outputs of several anomaly detectors as a representation that already captures the basic notion of anomalousness and estimate the contamination using a specific mixture formulation. Empirically on 22 datasets, we show that the estimated distribution is well-calibrated and that setting the threshold using the posterior mean improves the anomaly detectors' performance over several alternative methods. All code is publicly available for full reproducibility.

We consider the infinite-horizon linear Markov Decision Processes (MDPs), where the transition probabilities of the dynamic model can be linearly parameterized with the help of a predefined low-dimensional feature mapping. While the existing regression-based approaches have been theoretically shown to achieve nearly-optimal regret, they are computationally rather inefficient due to the need for a large number of optimization runs in each time step, especially when the state and action spaces are large. To address this issue, we propose to solve linear MDPs through the lens of Value-Biased Maximum Likelihood Estimation (VBMLE), which is a classic model-based exploration principle in the adaptive control literature for resolving the well-known closed-loop identification problem of Maximum Likelihood Estimation. We formally show that (i) VBMLE enjoys $\widetilde{O}(d\sqrt{T})$ regret, where $T$ is the time horizon and $d$ is the dimension of the model parameter, and (ii) VBMLE is computationally more efficient as it only requires solving one optimization problem in each time step. In our regret analysis, we offer a generic convergence result of MLE in linear MDPs through a novel supermartingale construct and uncover an interesting connection between linear MDPs and online learning, which could be of independent interest. Finally, the simulation results show that VBMLE significantly outperforms the benchmark method in terms of both empirical regret and computation time.

Causal Bayesian Networks (CBNs) are an important tool for reasoning under uncertainty in complex real-world systems. Determining the graphical structure of a CBN remains a key challenge and is undertaken either by eliciting it from humans, using machine learning to learn it from data, or using a combination of these two approaches. In the latter case, human knowledge is generally provided to the algorithm before it starts, but here we investigate a novel approach where the structure learning algorithm itself dynamically identifies and requests knowledge for relationships that the algorithm identifies as uncertain during structure learning. We integrate this approach into the Tabu structure learning algorithm and show that it offers considerable gains in structural accuracy, which are generally larger than those offered by existing approaches for integrating knowledge. We suggest that a variant which requests only arc orientation information may be particularly useful where the practitioner has little preexisting knowledge of the causal relationships. As well as offering improved accuracy, the approach can use human expertise more effectively and contributes to making the structure learning process more transparent.