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We derive a posteriori error estimates for a fully discrete time-implicit finite element approximation of the stochastic total variaton flow (STVF) with additive space time noise. The estimates are first derived for an implementable fully discrete approximation of a regularized stochastic total variation flow. We then show that the derived a posteriori estimates remain valid for the unregularized flow up to a perturbation term that can be controlled by the regularization parameter. Based on the derived a posteriori estimates we propose a pathwise algorithm for the adaptive space-time refinement and perform numerical simulation for the regularized STVF to demonstrate the behavior of the proposed algorithm.

Nonlinear metrics, such as the F1-score, Matthews correlation coefficient, and Fowlkes-Mallows index, are often used to evaluate the performance of machine learning models, in particular, when facing imbalanced datasets that contain more samples of one class than the other. Recent optimal decision tree algorithms have shown remarkable progress in producing trees that are optimal with respect to linear criteria, such as accuracy, but unfortunately nonlinear metrics remain a challenge. To address this gap, we propose a novel algorithm based on bi-objective optimisation, which treats misclassifications of each binary class as a separate objective. We show that, for a large class of metrics, the optimal tree lies on the Pareto frontier. Consequently, we obtain the optimal tree by using our method to generate the set of all nondominated trees. To the best of our knowledge, this is the first method to compute provably optimal decision trees for nonlinear metrics. Our approach leads to a trade-off when compared to optimising linear metrics: the resulting trees may be more desirable according to the given nonlinear metric at the expense of higher runtimes. Nevertheless, the experiments illustrate that runtimes are reasonable for majority of the tested datasets.

Decision tree learning is a widely used approach in machine learning, favoured in applications that require concise and interpretable models. Heuristic methods are traditionally used to quickly produce models with reasonably high accuracy. A commonly criticised point, however, is that the resulting trees may not necessarily be the best representation of the data in terms of accuracy and size. In recent years, this motivated the development of optimal classification tree algorithms that globally optimise the decision tree in contrast to heuristic methods that perform a sequence of locally optimal decisions. We follow this line of work and provide a novel algorithm for learning optimal classification trees based on dynamic programming and search. Our algorithm supports constraints on the depth of the tree and number of nodes. The success of our approach is attributed to a series of specialised techniques that exploit properties unique to classification trees. Whereas algorithms for optimal classification trees have traditionally been plagued by high runtimes and limited scalability, we show in a detailed experimental study that our approach uses only a fraction of the time required by the state-of-the-art and can handle datasets with tens of thousands of instances, providing several orders of magnitude improvements and notably contributing towards the practical realisation of optimal decision trees.

The matrix normal model, the family of Gaussian matrix-variate distributions whose covariance matrix is the Kronecker product of two lower dimensional factors, is frequently used to model matrix-variate data. The tensor normal model generalizes this family to Kronecker products of three or more factors. We study the estimation of the Kronecker factors of the covariance matrix in the matrix and tensor models. We show nonasymptotic bounds for the error achieved by the maximum likelihood estimator (MLE) in several natural metrics. In contrast to existing bounds, our results do not rely on the factors being well-conditioned or sparse. For the matrix normal model, all our bounds are minimax optimal up to logarithmic factors, and for the tensor normal model our bound for the largest factor and overall covariance matrix are minimax optimal up to constant factors provided there are enough samples for any estimator to obtain constant Frobenius error. In the same regimes as our sample complexity bounds, we show that an iterative procedure to compute the MLE known as the flip-flop algorithm converges linearly with high probability. Our main tool is geodesic strong convexity in the geometry on positive-definite matrices induced by the Fisher information metric. This strong convexity is determined by the expansion of certain random quantum channels. We also provide numerical evidence that combining the flip-flop algorithm with a simple shrinkage estimator can improve performance in the undersampled regime.

We study the problem of estimating a rank-$1$ signal in the presence of rotationally invariant noise-a class of perturbations more general than Gaussian noise. Principal Component Analysis (PCA) provides a natural estimator, and sharp results on its performance have been obtained in the high-dimensional regime. Recently, an Approximate Message Passing (AMP) algorithm has been proposed as an alternative estimator with the potential to improve the accuracy of PCA. However, the existing analysis of AMP requires an initialization that is both correlated with the signal and independent of the noise, which is often unrealistic in practice. In this work, we combine the two methods, and propose to initialize AMP with PCA. Our main result is a rigorous asymptotic characterization of the performance of this estimator. Both the AMP algorithm and its analysis differ from those previously derived in the Gaussian setting: at every iteration, our AMP algorithm requires a specific term to account for PCA initialization, while in the Gaussian case, PCA initialization affects only the first iteration of AMP. The proof is based on a two-phase artificial AMP that first approximates the PCA estimator and then mimics the true AMP. Our numerical simulations show an excellent agreement between AMP results and theoretical predictions, and suggest an interesting open direction on achieving Bayes-optimal performance.

Optimal transport distances are powerful tools to compare probability distributions and have found many applications in machine learning. Yet their algorithmic complexity prevents their direct use on large scale datasets. To overcome this challenge, practitioners compute these distances on minibatches {\em i.e.} they average the outcome of several smaller optimal transport problems. We propose in this paper an analysis of this practice, which effects are not well understood so far. We notably argue that it is equivalent to an implicit regularization of the original problem, with appealing properties such as unbiased estimators, gradients and a concentration bound around the expectation, but also with defects such as loss of distance property. Along with this theoretical analysis, we also conduct empirical experiments on gradient flows, GANs or color transfer that highlight the practical interest of this strategy.

We investigate variational principles for the approximation of quantum dynamics that apply for approximation manifolds that do not have complex linear tangent spaces. The first one, dating back to McLachlan (1964) minimizes the residuum of the time-dependent Schr\"odinger equation, while the second one, originating from the lecture notes of Kramer--Saraceno (1981), imposes the stationarity of an action functional. We characterize both principles in terms of metric and a symplectic orthogonality conditions, consider their conservation properties, and derive an elementary a-posteriori error estimate. As an application, we revisit the time-dependent Hartree approximation and frozen Gaussian wave packets.

In information retrieval (IR) and related tasks, term weighting approaches typically consider the frequency of the term in the document and in the collection in order to compute a score reflecting the importance of the term for the document. In tasks characterized by the presence of training data (such as text classification) it seems logical that the term weighting function should take into account the distribution (as estimated from training data) of the term across the classes of interest. Although `supervised term weighting' approaches that use this intuition have been described before, they have failed to show consistent improvements. In this article we analyse the possible reasons for this failure, and call consolidated assumptions into question. Following this criticism we propose a novel supervised term weighting approach that, instead of relying on any predefined formula, learns a term weighting function optimised on the training set of interest; we dub this approach \emph{Learning to Weight} (LTW). The experiments that we run on several well-known benchmarks, and using different learning methods, show that our method outperforms previous term weighting approaches in text classification.

Implicit probabilistic models are models defined naturally in terms of a sampling procedure and often induces a likelihood function that cannot be expressed explicitly. We develop a simple method for estimating parameters in implicit models that does not require knowledge of the form of the likelihood function or any derived quantities, but can be shown to be equivalent to maximizing likelihood under some conditions. Our result holds in the non-asymptotic parametric setting, where both the capacity of the model and the number of data examples are finite. We also demonstrate encouraging experimental results.

We develop an approach to risk minimization and stochastic optimization that provides a convex surrogate for variance, allowing near-optimal and computationally efficient trading between approximation and estimation error. Our approach builds off of techniques for distributionally robust optimization and Owen's empirical likelihood, and we provide a number of finite-sample and asymptotic results characterizing the theoretical performance of the estimator. In particular, we show that our procedure comes with certificates of optimality, achieving (in some scenarios) faster rates of convergence than empirical risk minimization by virtue of automatically balancing bias and variance. We give corroborating empirical evidence showing that in practice, the estimator indeed trades between variance and absolute performance on a training sample, improving out-of-sample (test) performance over standard empirical risk minimization for a number of classification problems.