Estimation of the conditional independence graph (CIG) of high-dimensional multivariate Gaussian time series from multi-attribute data is considered. Existing methods for graph estimation for such data are based on single-attribute models where one associates a scalar time series with each node. In multi-attribute graphical models, each node represents a random vector or vector time series. In this paper we provide a unified theoretical analysis of multi-attribute graph learning for dependent time series using a penalized log-likelihood objective function formulated in the frequency domain using the discrete Fourier transform of the time-domain data. We consider both convex (sparse-group lasso) and non-convex (log-sum and SCAD group penalties) penalty/regularization functions. We establish sufficient conditions in a high-dimensional setting for consistency (convergence of the inverse power spectral density to true value in the Frobenius norm), local convexity when using non-convex penalties, and graph recovery. We do not impose any incoherence or irrepresentability condition for our convergence results. We also empirically investigate selection of the tuning parameters based on the Bayesian information criterion, and illustrate our approach using numerical examples utilizing both synthetic and real data.

Statistically correcting measured cross sections for detector effects is an important step across many applications. In particle physics, this inverse problem is known as \textit{unfolding}. In cases with complex instruments, the distortions they introduce are often known only implicitly through simulations of the detector. Modern machine learning has enabled efficient simulation-based approaches for unfolding high-dimensional data. Among these, one of the first methods successfully deployed on experimental data is the \textsc{OmniFold} algorithm, a classifier-based Expectation-Maximization procedure. In practice, however, the forward model is only approximately specified, and the corresponding uncertainty is encoded through nuisance parameters. Building on the well-studied \textsc{OmniFold} algorithm, we show how to extend machine learning-based unfolding to incorporate nuisance parameters. Our new algorithm, called Profile \textsc{OmniFold}, is demonstrated using a Gaussian example as well as a particle physics case study using simulated data from the CMS Experiment at the Large Hadron Collider.

Inverse reinforcement learning aims to infer the reward function that explains expert behavior observed through trajectories of state--action pairs. A long-standing difficulty in classical IRL is the non-uniqueness of the recovered reward: many reward functions can induce the same optimal policy, rendering the inverse problem ill-posed. In this paper, we develop a statistical framework for Inverse Entropy-regularized Reinforcement Learning that resolves this ambiguity by combining entropy regularization with a least-squares reconstruction of the reward from the soft Bellman residual. This combination yields a unique and well-defined so-called least-squares reward consistent with the expert policy. We model the expert demonstrations as a Markov chain with the invariant distribution defined by an unknown expert policy $π^\star$ and estimate the policy by a penalized maximum-likelihood procedure over a class of conditional distributions on the action space. We establish high-probability bounds for the excess Kullback--Leibler divergence between the estimated policy and the expert policy, accounting for statistical complexity through covering numbers of the policy class. These results lead to non-asymptotic minimax optimal convergence rates for the least-squares reward function, revealing the interplay between smoothing (entropy regularization), model complexity, and sample size. Our analysis bridges the gap between behavior cloning, inverse reinforcement learning, and modern statistical learning theory.

Semi-supervised learning (SSL) constructs classifiers from datasets in which only a subset of observations is labelled, a situation that naturally arises because obtaining labels often requires expert judgement or costly manual effort. This motivates methods that integrate labelled and unlabelled data within a learning framework. Most SSL approaches assume that label absence is harmless, typically treated as missing completely at random or ignored, but in practice, the missingness process can be informative, as the chances of an observation being unlabelled may depend on the ambiguity of its feature vector. In such cases, the missingness indicators themselves provide additional information that, if properly modelled, may improve estimation efficiency. The \textbf{SSLfmm} package for R is designed to capture this behaviour by estimating the Bayes' classifier under a finite mixture model in which each component corresponding to a class follows a multivariate normal distribution. It incorporates a mixed-missingness mechanism that combines a missing completely at random (MCAR) component with a (non-ignorable) missing at random (MAR) component, the latter modelling the probability of label missingness as a logistic function of the entropy based on the features. Parameters are estimated via an Expectation--Conditional Maximisation algorithm. In the two-class Gaussian setting with arbitrary covariance matrices, the resulting classifier trained on partially labelled data may, in some cases, achieve a lower misclassification rate than the supervised version in the case where all the labels are known. The package includes a practical tool for modelling and illustrates its performance through simulated examples.

This Inaugural Lecture was given at Royal Holloway University of London in 1996. It covers an introduction to machine learning and describes various theoretical advances and practical projects in the field. The Lecture here is presented in its original format, but a few remarks have been added in 2025 to reflect recent developments, and the list of references has been updated to enhance the convenience and accuracy for readers. When did machine learning start? Maybe a good starting point is 1949, when Claude Shannon proposed a learning algorithm for chess-playing programs. Or maybe we should go back to the 1930s when Ronald Fisher developed discriminant analysis - a type of learning where the problem is to construct a decision rule that separates two types of vectors. Or could it be the 18th century when David Hume discussed the idea of induction? Or the 14th century, when William of Ockham formulated the principle of "simplicity" known as "Ockham's razor" (Ockham, by the way, is a small village not far from Royal Holloway). Or it may be that, like almost everything else in Western civilisation and culture, the origin of these ideas lies in the Mediterranean. After all, it was Aristotle who said that "we learn some things only by doing things". The field of machine learning has been greatly influenced by other disciplines and the subject is in itself not a very homogeneous discipline, but includes separate, overlapping subfields. There are many parallel lines of research in ML: inductive learning, neural networks, clustering, and theories of learning. They are all part of the more general field of machine learning.

Neural networks are widely used, yet their analysis and verification remain challenging. In this work, we present a Lean 4 formalization of neural networks, covering both deterministic and stochastic models. We first formalize Hopfield networks, recurrent networks that store patterns as stable states. We prove convergence and the correctness of Hebbian learning, a training rule that updates network parameters to encode patterns, here limited to the case of pairwise-orthogonal patterns. We then consider stochastic networks, where updates are probabilistic and convergence is to a stationary distribution. As a canonical example, we formalize the dynamics of Boltzmann machines and prove their ergodicity, showing convergence to a unique stationary distribution using a new formalization of the Perron-Frobenius theorem.

When should an autonomous agent commit resources to a task? We introduce the Agent Capability Problem (ACP), a framework for predicting whether an agent can solve a problem under resource constraints. Rather than relying on empirical heuristics, ACP frames problem-solving as information acquisition: an agent requires $\Itotal$ bits to identify a solution and gains $\Istep$ bits per action at cost $\Cstep$, yielding an effective cost $\Ceff = (\Itotal/\Istep), \Cstep$ that predicts resource requirements before search. We prove that $\Ceff$ lower-bounds expected cost and provide tight probabilistic upper bounds. Experimental validation shows that ACP predictions closely track actual agent performance, consistently bounding search effort while improving efficiency over greedy and random strategies. The framework generalizes across LLM-based and agentic workflows, linking principles from active learning, Bayesian optimization, and reinforcement learning through a unified information-theoretic lens. \

Abstract--We investigate model-based reinforcement learning in contextual Markov decision processes (C-MDPs) in which the context is unobserved and induces confounding in the offline dataset. In such settings, conventional model-learning methods are fundamentally inconsistent, as the transition and reward mechanisms generated under a behavioral policy do not correspond to the interventional quantities required for evaluating a state-based policy. T o address this issue, we adapt a proximal off-policy evaluation approach that identifies the confounded reward expectation using only observable state-action-reward trajectories under mild invertibility conditions on proxy variables. When combined with a behavior-averaged transition model, this construction yields a surrogate MDP whose Bellman operator is well defined and consistent for state-based policies, and which integrates seamlessly with the maximum causal entropy (MaxCausalEnt) model-learning framework. The proposed formulation enables principled model learning and planning in confounded environments where contextual information is unobserved, unavailable, or impractical to collect.

We revisit the classic ski rental problem through the lens of Bayesian decision-making and machine-learned predictions. While traditional algorithms minimize worst-case cost without assumptions, and recent learning-augmented approaches leverage noisy forecasts with robustness guarantees, our work unifies these perspectives. We propose a discrete Bayesian framework that maintains exact posterior distributions over the time horizon, enabling principled uncertainty quantification and seamless incorporation of expert priors. Our algorithm achieves prior-dependent competitive guarantees and gracefully interpolates between worst-case and fully-informed settings. Our extensive experimental evaluation demonstrates superior empirical performance across diverse scenarios, achieving near-optimal results under accurate priors while maintaining robust worst-case guarantees. This framework naturally extends to incorporate multiple predictions, non-uniform priors, and contextual information, highlighting the practical advantages of Bayesian reasoning in online decision problems with imperfect predictions.

This work aims to learn the directed acyclic graph (DAG) that captures the instantaneous dependencies underlying a multivariate time series. The observed data follow a linear structural vector autoregressive model (SVARM) with both instantaneous and time-lagged dependencies, where the instantaneous structure is modeled by a DAG to reflect potential causal relationships. While recent continuous relaxation approaches impose acyclicity through smooth constraint functions involving powers of the adjacency matrix, they lead to non-convex optimization problems that are challenging to solve. In contrast, we assume that the underlying DAG has only non-negative edge weights, and leverage this additional structure to impose acyclicity via a convex constraint. This enables us to cast the problem of non-negative DAG recovery from multivariate time-series data as a convex optimization problem in abstract form, which we solve using the method of multipliers. Crucially, the convex formulation guarantees global optimality of the solution. Finally, we assess the performance of the proposed method on synthetic time-series data, where it outperforms existing alternatives.