We study the optimization landscape of the log-likelihood function and the convergence of the Expectation-Maximization (EM) algorithm in latent Gaussian tree models, i.e. tree-structured Gaussian graphical models whose leaf nodes are observable and non-leaf nodes are unobservable. We show that the unique non-trivial stationary point of the population log-likelihood is its global maximum, and establish that the expectation-maximization algorithm is guaranteed to converge to it in the single latent variable case. Our results for the landscape of the log-likelihood function in general latent tree models provide support for the extensive practical use of maximum likelihood based-methods in this setting. Our results for the EM algorithm extend an emerging line of work on obtaining global convergence guarantees for this celebrated algorithm. We show our results for the non-trivial stationary points of the log-likelihood by arguing that a certain system of polynomial equations obtained from the EM updates has a unique non-trivial solution. The global convergence of the EM algorithm follows by arguing that all trivial fixed points are higher-order saddle points.

In maximum-likelihood quantum state tomography, both the sample size and dimension grow exponentially with the number of qubits. It is therefore desirable to develop a stochastic first-order method, just like stochastic gradient descent for modern machine learning, to compute the maximum-likelihood estimate. To this end, we propose an algorithm called stochastic mirror descent with the Burg entropy. Its expected optimization error vanishes at a $O ( \sqrt{ ( 1 / t ) d \log t } )$ rate, where $d$ and $t$ denote the dimension and number of iterations, respectively. Its per-iteration time complexity is $O ( d^3 )$, independent of the sample size. To the best of our knowledge, this is currently the computationally fastest stochastic first-order method for maximum-likelihood quantum state tomography.

Precision measurements and new physics searches at the Large Hadron Collider require efficient simulations of particle propagation and interactions within the detectors. The most computationally expensive simulations involve calorimeter showers. Advances in deep generative modelling - particularly in the realm of high-dimensional data - have opened the possibility of generating realistic calorimeter showers orders of magnitude more quickly than physics-based simulation. However, the high-dimensional representation of showers belies the relative simplicity and structure of the underlying physical laws. This phenomenon is yet another example of the manifold hypothesis from machine learning, which states that high-dimensional data is supported on low-dimensional manifolds. We thus propose modelling calorimeter showers first by learning their manifold structure, and then estimating the density of data across this manifold. Learning manifold structure reduces the dimensionality of the data, which enables fast training and generation when compared with competing methods.

Recent research in robust optimization has shown an overfitting-like phenomenon in which models trained against adversarial attacks exhibit higher robustness on the training set compared to the test set. Although previous work provided theoretical explanations for this phenomenon using a robust PAC-Bayesian bound over the adversarial test error, related algorithmic derivations are at best only loosely connected to this bound, which implies that there is still a gap between their empirical success and our understanding of adversarial robustness theory. To close this gap, in this paper we consider a different form of the robust PAC-Bayesian bound and directly minimize it with respect to the model posterior. The derivation of the optimal solution connects PAC-Bayesian learning to the geometry of the robust loss surface through a Trace of Hessian (TrH) regularizer that measures the surface flatness. In practice, we restrict the TrH regularizer to the top layer only, which results in an analytical solution to the bound whose computational cost does not depend on the network depth. Finally, we evaluate our TrH regularization approach over CIFAR-10/100 and ImageNet using Vision Transformers (ViT) and compare against baseline adversarial robustness algorithms. Experimental results show that TrH regularization leads to improved ViT robustness that either matches or surpasses previous state-of-the-art approaches while at the same time requires less memory and computational cost.

Probabilistic circuits (PCs) are a tractable representation of probability distributions allowing for exact and efficient computation of likelihoods and marginals. There has been significant recent progress on improving the scale and expressiveness of PCs. However, PC training performance plateaus as model size increases. We discover that most capacity in existing large PC structures is wasted: fully-connected parameter layers are only sparsely used. We propose two operations: pruning and growing, that exploit the sparsity of PC structures. Specifically, the pruning operation removes unimportant sub-networks of the PC for model compression and comes with theoretical guarantees. The growing operation increases model capacity by increasing the size of the latent space. By alternatingly applying pruning and growing, we increase the capacity that is meaningfully used, allowing us to significantly scale up PC learning. Empirically, our learner achieves state-of-the-art likelihoods on MNIST-family image datasets and on Penn Tree Bank language data compared to other PC learners and less tractable deep generative models such as flow-based models and variational autoencoders (VAEs).

Data availability has dramatically increased in recent years, driving model-based control methods to exploit learning techniques for improving the system description, and thus control performance. Two key factors that hinder the practical applicability of learning methods in control are their high computational complexity and limited generalization capabilities to unseen conditions. Meta-learning is a powerful tool that enables efficient learning across a finite set of related tasks, easing adaptation to new unseen tasks. This paper makes use of a meta-learning approach for adaptive model predictive control, by learning a system model that leverages data from previous related tasks, while enabling fast fine-tuning to the current task during closed-loop operation. The dynamics is modeled via Gaussian process regression and, building on the Karhunen-Lo{\`e}ve expansion, can be approximately reformulated as a finite linear combination of kernel eigenfunctions. Using data collected over a set of tasks, the eigenfunction hyperparameters are optimized in a meta-training phase by maximizing a variational bound for the log-marginal likelihood. During meta-testing, the eigenfunctions are fixed, so that only the linear parameters are adapted to the new unseen task in an online adaptive fashion via Bayesian linear regression, providing a simple and efficient inference scheme. Simulation results are provided for autonomous racing with miniature race cars adapting to unseen road conditions.

The paper covers the design and analysis of experiments to discriminate between two Gaussian process models, such as those widely used in computer experiments, kriging, sensor location and machine learning. Two frameworks are considered. First, we study sequential constructions, where successive design (observation) points are selected, either as additional points to an existing design or from the beginning of observation. The selection relies on the maximisation of the difference between the symmetric Kullback Leibler divergences for the two models, which depends on the observations, or on the mean squared error of both models, which does not. Then, we consider static criteria, such as the familiar log-likelihood ratios and the Fr\'echet distance between the covariance functions of the two models. Other distance-based criteria, simpler to compute than previous ones, are also introduced, for which, considering the framework of approximate design, a necessary condition for the optimality of a design measure is provided. The paper includes a study of the mathematical links between different criteria and numerical illustrations are provided.

Chain event graphs (CEGs) are a recent family of probabilistic graphical models that generalise the popular Bayesian networks (BNs) family. Crucially, unlike BNs, a CEG is able to embed, within its graph and its statistical model, asymmetries exhibited by a process. These asymmetries might be in the conditional independence relationships or in the structure of the graph and its underlying event space. Structural asymmetries are common in many domains, and can occur naturally (e.g. a defendant vs prosecutor's version of events) or by design (e.g. a public health intervention). However, there currently exists no software that allows a user to leverage the theoretical developments of the CEG model family in modelling processes with structural asymmetries. This paper introduces cegpy, the first Python package for learning and analysing complex processes using CEGs. The key feature of cegpy is that it is the first CEG package in any programming language that can model processes with symmetric as well as asymmetric structures. cegpy contains an implementation of Bayesian model selection and probability propagation algorithms for CEGs. We illustrate the functionality of cegpy using a structurally asymmetric dataset.

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal distribution, has difficulty in handling data distributions with multiple relatively isolated modes. To overcome this issue, we propose a new framework based on variational latent representation to improve the practical performance of NF. The idea is to replace the standard normal latent variable with a more general latent representation, jointly learned via Variational Bayes. For example, by taking the latent representation as a discrete sequence, our framework can learn a Transformer model that generates the latent sequence and an NF model that generates continuous data distribution conditioned on the sequence. The resulting method is significantly more powerful than the standard normalization flow approach for generating data distributions with multiple modes. Extensive experiments have shown the advantages of NF with variational latent representation.

Computing is a critical driving force in the development of human civilization. In recent years, we have witnessed the emergence of intelligent computing, a new computing paradigm that is reshaping traditional computing and promoting digital revolution in the era of big data, artificial intelligence and internet-of-things with new computing theories, architectures, methods, systems, and applications. Intelligent computing has greatly broadened the scope of computing, extending it from traditional computing on data to increasingly diverse computing paradigms such as perceptual intelligence, cognitive intelligence, autonomous intelligence, and human-computer fusion intelligence. Intelligence and computing have undergone paths of different evolution and development for a long time but have become increasingly intertwined in recent years: intelligent computing is not only intelligence-oriented but also intelligence-driven. Such cross-fertilization has prompted the emergence and rapid advancement of intelligent computing. Intelligent computing is still in its infancy and an abundance of innovations in the theories, systems, and applications of intelligent computing are expected to occur soon. We present the first comprehensive survey of literature on intelligent computing, covering its theory fundamentals, the technological fusion of intelligence and computing, important applications, challenges, and future perspectives. We believe that this survey is highly timely and will provide a comprehensive reference and cast valuable insights into intelligent computing for academic and industrial researchers and practitioners.