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.

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.

Setting regularization parameters for Lasso-type estimators is notoriously difficult, though crucial for obtaining the best accuracy. The most popular hyperparameter optimization approach is grid-search on a held-out dataset. However, grid-search requires to choose a predefined grid of parameters and scales exponentially in the number of parameters. Another class of approaches casts hyperparameter optimization as a bi-level optimization problem, typically solved by gradient descent. The key challenge for these approaches is the estimation of the gradient w.r.t. the hyperparameters. Computing that gradient via forward or backward automatic differentiation usually suffers from high memory consumption, while implicit differentiation typically involves solving a linear system which can be prohibitive and numerically unstable. In addition, implicit differentiation usually assumes smooth loss functions, which is not the case of Lasso-type problems. This work introduces an efficient implicit differentiation algorithm, without matrix inversion, tailored for Lasso-type problems. Our proposal scales to high-dimensional data by leveraging the sparsity of the solutions. Empirically, we demonstrate that the proposed method outperforms a large number of standard methods for hyperparameter optimization.