Estimating matrices in the symmetric positive-definite (SPD) cone is of interest for many applications ranging from computer vision to graph learning. While there exist various convex optimization-based estimators, they remain limited in expressivity due to their model-based approach. The success of deep learning motivates the use of learning-based approaches to estimate SPD matrices with neural networks in a data-driven fashion. However, designing effective neural architectures for SPD learning is challenging, particularly when the task requires additional structural constraints, such as element-wise sparsity. Current approaches either do not ensure that the output meets all desired properties or lack expressivity. In this paper, we introduce SpodNet, a novel and generic learning module that guarantees SPD outputs and supports additional structural constraints. Notably, it solves the challenging task of learning jointly SPD and sparse matrices. Our experiments illustrate the versatility and relevance of SpodNet layers for such applications.

Modern deep generative models can now produce high-quality synthetic samples that are often indistinguishable from real training data. A growing body of research aims to understand why recent methods, such as diffusion and flow matching techniques, generalize so effectively. Among the proposed explanations are the inductive biases of deep learning architectures and the stochastic nature of the conditional flow matching loss. In this work, we rule out the noisy nature of the loss as a key factor driving generalization in flow matching. First, we empirically show that in high-dimensional settings, the stochastic and closed-form versions of the flow matching loss yield nearly equivalent losses. Then, using state-of-the-art flow matching models on standard image datasets, we demonstrate that both variants achieve comparable statistical performance, with the surprising observation that using the closed-form can even improve performance.

We introduce skglm, an open-source Python package for regularized Generalized Linear Models. Thanks to its composable nature, it supports combining datafits, penalties, and solvers to fit a wide range of models, many of them not included in scikit-learn (e.g. Group Lasso and variants). It uses state-of-the-art algorithms to solve problems involving high-dimensional datasets, providing large speed-ups compared to existing implementations. It is fully compliant with the scikit-learn API and acts as a drop-in replacement for its estimators. Finally, it abides by the standards of open source development and is integrated in the scikit-learn-contrib GitHub organization.

The lasso is the most famous sparse regression and feature selection method. One reason for its popularity is the speed at which the underlying optimization problem can be solved. Sorted L-One Penalized Estimation (SLOPE) is a generalization of the lasso with appealing statistical properties. In spite of this, the method has not yet reached widespread interest. A major reason for this is that current software packages that fit SLOPE rely on algorithms that perform poorly in high dimensions. To tackle this issue, we propose a new fast algorithm to solve the SLOPE optimization problem, which combines proximal gradient descent and proximal coordinate descent steps. We provide new results on the directional derivative of the SLOPE penalty and its related SLOPE thresholding operator, as well as provide convergence guarantees for our proposed solver. In extensive benchmarks on simulated and real data, we demonstrate our method’s performance against a long list of competing algorithms.

Gradient Langevin dynamics (GLD) and stochastic GLD (SGLD) have attracted considerable attention lately, as a way to provide convergence guarantees in a non-convex setting. However, the known rates grow exponentially with the dimension of the space under the dissipative condition. In this work, we provide a convergence analysis of GLD and SGLD when the optimization space is an infinite-dimensional Hilbert space. More precisely, we derive non-asymptotic, dimension-free convergence rates for GLD/SGLD when performing regularized non-convex optimization in a reproducing kernel Hilbert space. Amongst others, the convergence analysis relies on the properties of a stochastic differential equation, its discrete time Galerkin approximation and the geometric ergodicity of the associated Markov chains.

Numerical validation is at the core of machine learning research as it allows us to assess the actual impact of new methods, and to confirm the agreement between theory and practice. Yet, the rapid development of the field poses several challenges: researchers are confronted with a profusion of methods to compare, limited transparency and consensus on best practices, as well as tedious re-implementation work. As a result, validation is often very partial, which can lead to wrong conclusions that slow down the progress of research. We propose Benchopt, a collaborative framework to automatize, publish and reproduce optimization benchmarks in machine learning across programming languages and hardware architectures. Benchopt simplifies benchmarking for the community by providing an off-the-shelf tool for running, sharing and extending experiments. To demonstrate its broad usability, we showcase benchmarks on three standard ML tasks: $\ell_2$-regularized logistic regression, Lasso and ResNet18 training for image classification. These benchmarks highlight key practical findings that give a more nuanced view of state-of-the-art for these problems, showing that for practical evaluation, the devil is in the details.

We propose a new fast algorithm to estimate any sparse generalized linear model with convex or non-convex separable penalties. Our algorithm is able to solve problems with millions of samples and features in seconds, by relying on coordinate descent, working sets and Anderson acceleration. It handles previously unaddressed models, and is extensively shown to improve state-of-art algorithms. We provide a flexible, scikit-learn compatible package, which easily handles customized datafits and penalties.

Finding the optimal hyperparameters of a model can be cast as a bilevel optimization problem, typically solved using zero-order techniques. In this work we study first-order methods when the inner optimization problem is convex but non-smooth. We show that the forward-mode differentiation of proximal gradient descent and proximal coordinate descent yield sequences of Jacobians converging toward the exact Jacobian. Using implicit differentiation, we show it is possible to leverage the non-smoothness of the inner problem to speed up the computation. Finally, we provide a bound on the error made on the hypergradient when the inner optimization problem is solved approximately. Results on regression and classification problems reveal computational benefits for hyperparameter optimization, especially when multiple hyperparameters are required.

Acceleration of first order methods is mainly obtained via inertia à la Nesterov, or via nonlinear extrapolation. The latter has known a recent surge of interest, with successful applications to gradient and proximal gradient techniques. On multiple Machine Learning problems, coordinate descent achieves performance significantly superior to full-gradient methods. Speeding up coordinate descent in practice is not easy: inertially accelerated versions of coordinate descent are theoretically accelerated, but might not always lead to practical speed-ups. We propose an accelerated version of coordinate descent using extrapolation, showing considerable speed up in practice, compared to inertial accelerated coordinate descent and extrapolated (proximal) gradient descent. Experiments on least squares, Lasso, elastic net and logistic regression validate the approach.

We study iterative regularization for linear models, when the bias is convex but not necessarily strongly convex. We characterize the stability properties of a primal-dual gradient based approach, analyzing its convergence in the presence of worst case deterministic noise. As a main example, we specialize and illustrate the results for the problem of robust sparse recovery. Key to our analysis is a combination of ideas from regularization theory and optimization in the presence of errors. Theoretical results are complemented by experiments showing that state-of-the-art performances are achieved with considerable computational speed-ups.

In high dimensional sparse regression, pivotal estimators are estimators for which the optimal regularization parameter is independent of the noise level. The canonical pivotal estimator is the square-root Lasso, formulated along with its derivatives as a “non-smooth + non-smooth” optimization problem. Modern techniques to solve these include smoothing the datafitting term, to benefit from fast efficient proximal algorithms. In this work we show minimax sup-norm convergence rates for non smoothed and smoothed, single task and multitask square-root Lasso-type estimators. Thanks to our theoretical analysis, we provide some guidelines on how to set the smoothing hyperparameter, and illustrate on synthetic data the interest of such guidelines.

Sparse coding is typically solved by iterative optimization techniques, such as the Iterative Shrinkage-Thresholding Algorithm (ISTA). Unfolding and learning weights of ISTA using neural networks is a practical way to accelerate estimation. In this paper, we study the selection of adapted step sizes for ISTA. We show that a simple step size strategy can improve the convergence rate of ISTA by leveraging the sparsity of the iterates. However, it is impractical in most large-scale applications. Therefore, we propose a network architecture where only the step sizes of ISTA are learned. We demonstrate that for a large class of unfolded algorithms, if the algorithm converges to the solution of the Lasso, its last layers correspond to ISTA with learned step sizes. Experiments show that our method is competitive with state-of-the-art networks when the solutions are sparse enough.

A limitation of Lasso-type estimators is that the optimal regularization parameter depends on the unknown noise level. Estimators such as the concomitant Lasso address this dependence by jointly estimating the noise level and the regression coefficients. Additionally, in many applications, the data is obtained by averaging multiple measurements: this reduces the noise variance, but it dramatically reduces sample sizes and prevents refined noise modeling. In this work, we propose a concomitant estimator that can cope with complex noise structure by using non-averaged measurements, its data-fitting term arising as a smoothing of the nuclear norm. The resulting optimization problem is convex and amenable, thanks to smoothing theory, to state-of-the-art optimization techniques that leverage the sparsity of the solutions. Practical benefits are demonstrated on toy datasets, realistic simulated data and real neuroimaging data.

In high dimension, it is customary to consider Lasso-type estimators to enforce sparsity. For standard Lasso theory to hold, the regularization parameter should be proportional to the noise level, which is often unknown in practice. A remedy is to consider estimators such as the Concomitant Lasso, which jointly optimize over the regression coefficients and the noise level. However, when data from different sources are pooled to increase sample size, noise levels differ and new dedicated estimators are needed. We provide new statistical and computational solutions to perform heteroscedastic regression, with an emphasis on functional brain imaging with magneto- and electroencephalography (M/EEG). When instantiated to de-correlated noise, our framework leads to an efficient algorithm whose computational cost is not higher than for the Lasso, but addresses more complex noise structures. Experiments demonstrate improved prediction and support identification with correct estimation of noise levels.

Convex sparsity-inducing regularizations are ubiquitous in high-dimensional machine learning, but solving the resulting optimization problems can be slow. To accelerate solvers, state-of-the-art approaches consist in reducing the size of the optimization problem at hand. In the context of regression, this can be achieved either by discarding irrelevant features (screening techniques) or by prioritizing features likely to be included in the support of the solution (working set techniques). Duality comes into play at several steps in these techniques. Here, we propose an extrapolation technique starting from a sequence of iterates in the dual that leads to the construction of improved dual points. This enables a tighter control of optimality as used in stopping criterion, as well as better screening performance of Gap Safe rules. Finally, we propose a working set strategy based on an aggressive use of Gap Safe screening rules. Thanks to our new dual point construction, we show significant computational speedups on multiple real-world problems.