Samuel Vaiter

Thomas Moreau, Mathurin Massias, Alexandre Gramfort et al. · berkeley

Numerical validation is at the core of machine learning research as it allows 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 automate, reproduce and publish 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 learning 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 the state-of-the-art for these problems, showing that for practical evaluation, the devil is in the details. We hope that Benchopt will foster collaborative work in the community hence improving the reproducibility of research findings.

Jérôme Bolte, Edouard Pauwels, Samuel Vaiter

Differentiation along algorithms, i.e., piggyback propagation of derivatives, is now routinely used to differentiate iterative solvers in differentiable programming. Asymptotics is well understood for many smooth problems but the nondifferentiable case is hardly considered. Is there a limiting object for nonsmooth piggyback automatic differentiation (AD)? Does it have any variational meaning and can it be used effectively in machine learning? Is there a connection with classical derivative? All these questions are addressed under appropriate nonexpansivity conditions in the framework of conservative derivatives which has proved useful in understanding nonsmooth AD. For nonsmooth piggyback iterations, we characterize the attractor set of nonsmooth piggyback iterations as a set-valued fixed point which remains in the conservative framework. This has various consequences and in particular almost everywhere convergence of classical derivatives. Our results are illustrated on parametric convex optimization problems with forward-backward, Douglas-Rachford and Alternating Direction of Multiplier algorithms as well as the Heavy-Ball method.

Mathieu Dagréou, Thomas Moreau, Samuel Vaiter et al.

Bilevel optimization problems, which are problems where two optimization problems are nested, have more and more applications in machine learning. In many practical cases, the upper and the lower objectives correspond to empirical risk minimization problems and therefore have a sum structure. In this context, we propose a bilevel extension of the celebrated SARAH algorithm. We demonstrate that the algorithm requires $\mathcal{O}((n+m)^{\frac12}\varepsilon^{-1})$ oracle calls to achieve $\varepsilon$-stationarity with $n+m$ the total number of samples, which improves over all previous bilevel algorithms. Moreover, we provide a lower bound on the number of oracle calls required to get an approximate stationary point of the objective function of the bilevel problem. This lower bound is attained by our algorithm, making it optimal in terms of sample complexity.

Matthieu Cordonnier, Nicolas Keriven, Nicolas Tremblay et al.

We study the convergence of message passing graph neural networks on random graph models to their continuous counterpart as the number of nodes tends to infinity. Until now, this convergence was only known for architectures with aggregation functions in the form of normalized means, or, equivalently, of an application of classical operators like the adjacency matrix or the graph Laplacian. We extend such results to a large class of aggregation functions, that encompasses all classically used message passing graph neural networks, such as attention-based message passing, max convolutional message passing, (degree-normalized) convolutional message passing, or moment-based aggregation message passing. Under mild assumptions, we give non-asymptotic bounds with high probability to quantify this convergence. Our main result is based on the McDiarmid inequality. Interestingly, this result does not apply to the case where the aggregation is a coordinate-wise maximum. We treat this case separately and obtain a different convergence rate.

Rémi Catellier, Samuel Vaiter, Damien Garreau

A fundamental issue in machine learning is the robustness of the model with respect to changes in the input. In natural language processing, models typically contain a first embedding layer, transforming a sequence of tokens into vector representations. While the robustness with respect to changes of continuous inputs is well-understood, the situation is less clear when considering discrete changes, for instance replacing a word by another in an input sentence. Our work formally proves that popular embedding schemes, such as concatenation, TF-IDF, and Paragraph Vector (a.k.a. doc2vec), exhibit robustness in the Hölder or Lipschitz sense with respect to the Hamming distance. We provide quantitative bounds for these schemes and demonstrate how the constants involved are affected by the length of the document. These findings are exemplified through a series of numerical examples.

Ryotaro Kawata, Yujin Song, Alberto Bietti et al.

Transformers can implement both generalizable algorithms (e.g., induction heads) and simple positional shortcuts (e.g., memorizing fixed output positions). In this work, we study how the choice of pretraining data distribution steers a shallow transformer toward one behavior or the other. Focusing on a minimal trigger-output prediction task -- copying the token immediately following a special trigger upon its second occurrence -- we present a rigorous analysis of gradient-based training of a single-layer transformer. In both the infinite and finite sample regimes, we prove a transition in the learned mechanism: if input sequences exhibit sufficient diversity, measured by a low ``max-sum'' ratio of trigger-to-trigger distances, the trained model implements an induction head and generalizes to unseen contexts; by contrast, when this ratio is large, the model resorts to a positional shortcut and fails to generalize out-of-distribution (OOD). We also reveal a trade-off between the pretraining context length and OOD generalization, and derive the optimal pretraining distribution that minimizes computational cost per sample. Finally, we validate our theoretical predictions with controlled synthetic experiments, demonstrating that broadening context distributions robustly induces induction heads and enables OOD generalization. Our results shed light on the algorithmic biases of pretrained transformers and offer conceptual guidelines for data-driven control of their learned behaviors.

Hashem Ghanem, Samuel Vaiter, Nicolas Keriven

A common issue in graph learning under the semi-supervised setting is referred to as gradient scarcity. That is, learning graphs by minimizing a loss on a subset of nodes causes edges between unlabelled nodes that are far from labelled ones to receive zero gradients. The phenomenon was first described when optimizing the graph and the weights of a Graph Neural Network (GCN) with a joint optimization algorithm. In this work, we give a precise mathematical characterization of this phenomenon, and prove that it also emerges in bilevel optimization, where additional dependency exists between the parameters of the problem. While for GCNs gradient scarcity occurs due to their finite receptive field, we show that it also occurs with the Laplacian regularization model, in the sense that gradients amplitude decreases exponentially with distance to labelled nodes. To alleviate this issue, we study several solutions: we propose to resort to latent graph learning using a Graph-to-Graph model (G2G), graph regularization to impose a prior structure on the graph, or optimizing on a larger graph than the original one with a reduced diameter. Our experiments on synthetic and real datasets validate our analysis and prove the efficiency of the proposed solutions.

Guillaume Lauga, Cesare Molinari, Samuel Vaiter

Global optimization is a challenging problem, with plenty of algorithms displaying empirical success, but scarce theoretical backing. In this work, we propose a new theoretical framework called Proximal Basin Hopping (PBH), carefully tailored to combine proximal optimization and local minimization. We use it to construct a practical algorithm that converges to the global minimizer with high probability, when using a finite amount of samples. Proximal Basin Hopping outperforms well known algorithms with theoretical backing on standard synthetic hard functions, and real problems such as fitting scaling laws for deep learning. Furthermore, the higher the dimension, the better the performance gap.

Christian Daniele, Silvia Villa, Samuel Vaiter et al.

Deep Equilibrium Models (DEQs) are implicit neural networks with fixed points, which have recently gained attention for learning image regularization functionals, particularly in settings involving Gaussian fidelities, where assumptions on the forward operator ensure contractiveness of standard (proximal) Gradient Descent operators. In this work, we extend the application of DEQs to Poisson inverse problems, where the data fidelity term is more appropriately modeled by the Kullback--Leibler divergence. To this end, we introduce a novel DEQ formulation based on Mirror Descent defined in terms of a tailored non-Euclidean geometry that naturally adapts with the structure of the data term. This enables the learning of neural regularizers within a principled training framework. We derive sufficient conditions and establish refined convergence results based on the Kurdyka--Lojasiewicz framework for subanalytic functions with non-closed domains to guarantee the convergence of the learned reconstruction scheme and propose computational strategies that enable both efficient training and parameter-free inference. Numerical experiments show that our method outperforms traditional model-based approaches and it is comparable to the performance of Bregman Plug-and-Play methods, while mitigating their typical drawbacks, such as time-consuming tuning of hyper-parameters. The code is publicly available at https://github.com/christiandaniele/DEQ-MD.

Sofiane Tanji, Samuel Vaiter, Yassine Laguel

Despite their promise, fair machine learning methods often yield Pareto-inefficient models, in which the performance of certain groups can be improved without degrading that of others. This issue arises frequently in traditional in-processing approaches such as fairness-through-regularization. In contrast, existing Pareto-efficient approaches are biased towards a certain perspective on fairness and fail to adapt to the broad range of fairness metrics studied in the literature. In this paper, we present BADR, a simple framework to recover the optimal Pareto-efficient model for any fairness metric. Our framework recovers its models through a Bilevel Adaptive Rescalarisation procedure. The lower level is a weighted empirical risk minimization task where the weights are a convex combination of the groups, while the upper level optimizes the chosen fairness objective. We equip our framework with two novel large-scale, single-loop algorithms, BADR-GD and BADR-SGD, and establish their convergence guarantees. We release badr, an open-source Python toolbox implementing our framework for a variety of learning tasks and fairness metrics. Finally, we conduct extensive numerical experiments demonstrating the advantages of BADR over existing Pareto-efficient approaches to fairness.

Marco Rando, Samuel Vaiter

Large language models (LLMs) are known to be vulnerable to jailbreak attacks, which typically rely on carefully designed prompts containing explicit semantic structure. These attacks generally operate by fixing an adversarial instruction and optimizing small adversarial components (e.g., suffixes or prefixes). In this setting, prompt structure is fundamental for performance, and recent results show that even simple random search can achieve strong performance when combined with sophisticated prompt design. Recently, it has been observed that harmful behaviors can be elicited even without the adversarial prompt, relying solely on optimized token sequences. This suggests the existence of natural backdoors, i.e., token sequences naturally emerged during LLMs training that trigger unsafe outputs without any meaningful instruction. However, despite these observations, this setting remains largely unexplored, and in particular the hardness of finding natural backdoors has not been assessed yet. In this work, we provide a first proof-of-concept study investigating the hardness of this task, which we refer to as the junking problem. We formalize it as the problem of finding token sequences that maximize the probability of generating a target prefix of harmful responses, propose a greedy random-search method to assess is such sequences can be discovered easily. Our results show that this problem is harder than standard jailbreak attacks, confirming the importance of semantic information in prompt design. At the same time, we find that our simple strategy is sufficient to solve it with a high success rate, suggesting that natural backdoors are present and easily recoverable. Finally, through perplexity analysis, we observe that the discovered token sequences lie in low-probability regions of the model distribution, supporting the hypothesis that they emerged implicitly from the training process.

Laetitia Chapel, Romain Tavenard, Samuel Vaiter

Optimal Transport (OT) has attracted significant interest in the machine learning community, not only for its ability to define meaningful distances between probability distributions -- such as the Wasserstein distance -- but also for its formulation of OT plans. Its computational complexity remains a bottleneck, though, and slicing techniques have been developed to scale OT to large datasets. Recently, a novel slicing scheme, dubbed min-SWGG, lifts a single one-dimensional plan back to the original multidimensional space, finally selecting the slice that yields the lowest Wasserstein distance as an approximation of the full OT plan. Despite its computational and theoretical advantages, min-SWGG inherits typical limitations of slicing methods: (i) the number of required slices grows exponentially with the data dimension, and (ii) it is constrained to linear projections. Here, we reformulate min-SWGG as a bilevel optimization problem and propose a differentiable approximation scheme to efficiently identify the optimal slice, even in high-dimensional settings. We furthermore define its generalized extension for accommodating to data living on manifolds. Finally, we demonstrate the practical value of our approach in various applications, including gradient flows on manifolds and high-dimensional spaces, as well as a novel sliced OT-based conditional flow matching for image generation -- where fast computation of transport plans is essential.

Franck Iutzeler, Edouard Pauwels, Samuel Vaiter

We consider stochastic optimization problems where the objective depends on some parameter, as commonly found in hyperparameter optimization for instance. We investigate the behavior of the derivatives of the iterates of Stochastic Gradient Descent (SGD) with respect to that parameter and show that they are driven by an inexact SGD recursion on a different objective function, perturbed by the convergence of the original SGD. This enables us to establish that the derivatives of SGD converge to the derivative of the solution mapping in terms of mean squared error whenever the objective is strongly convex. Specifically, we demonstrate that with constant step-sizes, these derivatives stabilize within a noise ball centered at the solution derivative, and that with vanishing step-sizes they exhibit $O(\log(k)^2 / k)$ convergence rates. Additionally, we prove exponential convergence in the interpolation regime. Our theoretical findings are illustrated by numerical experiments on synthetic tasks.

Magamed Taimeskhanov, Samuel Vaiter, Damien Garreau

A popular approach to post-training control of large language models (LLMs) is the steering of intermediate latent representations. Namely, identify a well-chosen direction depending on the task at hand and perturbs representations along this direction at inference time. While many propositions exist to pick this direction, considerably less is understood about how to choose the magnitude of the move, whereas its importance is clear: too little and the intended behavior does not emerge, too much and the model's performance degrades beyond repair. In this work, we propose the first theoretical analysis of steering strength. We characterize its effect on next token probability, presence of a concept, and cross-entropy, deriving precise qualitative laws governing these quantities. Our analysis reveals surprising behaviors, including non-monotonic effects of steering strength. We validate our theoretical predictions empirically on eleven language models, ranging from a small GPT architecture to modern models.

Fares El Khoury, Edouard Pauwels, Samuel Vaiter et al.

Bilevel optimization has emerged as a technique for addressing a wide range of machine learning problems that involve an outer objective implicitly determined by the minimizer of an inner problem. While prior works have primarily focused on the parametric setting, a learning-theoretic foundation for bilevel optimization in the nonparametric case remains relatively unexplored. In this paper, we take a first step toward bridging this gap by studying Kernel Bilevel Optimization (KBO), where the inner objective is optimized over a reproducing kernel Hilbert space. This setting enables rich function approximation while providing a foundation for rigorous theoretical analysis. In this context, we derive novel finite-sample generalization bounds for KBO, leveraging tools from empirical process theory. These bounds further allow us to assess the statistical accuracy of gradient-based methods applied to the empirical discretization of KBO. We numerically illustrate our theoretical findings on a synthetic instrumental variable regression task.

Nicolas Keriven, Samuel Vaiter

We aim to deepen the theoretical understanding of Graph Neural Networks (GNNs) on large graphs, with a focus on their expressive power. Existing analyses relate this notion to the graph isomorphism problem, which is mostly relevant for graphs of small sizes, or studied graph classification or regression tasks, while prediction tasks on nodes are far more relevant on large graphs. Recently, several works showed that, on very general random graphs models, GNNs converge to certains functions as the number of nodes grows. In this paper, we provide a more complete and intuitive description of the function space generated by equivariant GNNs for node-tasks, through general notions of convergence that encompass several previous examples. We emphasize the role of input node features, and study the impact of node Positional Encodings (PEs), a recent line of work that has been shown to yield state-of-the-art results in practice. Through the study of several examples of PEs on large random graphs, we extend previously known universality results to significantly more general models. Our theoretical results hint at some normalization tricks, which is shown numerically to have a positive impact on GNN generalization on synthetic and real data. Our proofs contain new concentration inequalities of independent interest.

Jérôme Bolte, Edouard Pauwels, Samuel Vaiter

In appropriate frameworks, automatic differentiation is transparent to the user at the cost of being a significant computational burden when the number of operations is large. For iterative algorithms, implicit differentiation alleviates this issue but requires custom implementation of Jacobian evaluation. In this paper, we study one-step differentiation, also known as Jacobian-free backpropagation, a method as easy as automatic differentiation and as performant as implicit differentiation for fast algorithms (e.g., superlinear optimization methods). We provide a complete theoretical approximation analysis with specific examples (Newton's method, gradient descent) along with its consequences in bilevel optimization. Several numerical examples illustrate the well-foundness of the one-step estimator.

Mathieu Dagréou, Pierre Ablin, Samuel Vaiter et al.

Bilevel optimization, the problem of minimizing a value function which involves the arg-minimum of another function, appears in many areas of machine learning. In a large scale empirical risk minimization setting where the number of samples is huge, it is crucial to develop stochastic methods, which only use a few samples at a time to progress. However, computing the gradient of the value function involves solving a linear system, which makes it difficult to derive unbiased stochastic estimates. To overcome this problem we introduce a novel framework, in which the solution of the inner problem, the solution of the linear system, and the main variable evolve at the same time. These directions are written as a sum, making it straightforward to derive unbiased estimates. The simplicity of our approach allows us to develop global variance reduction algorithms, where the dynamics of all variables is subject to variance reduction. We demonstrate that SABA, an adaptation of the celebrated SAGA algorithm in our framework, has $O(\frac1T)$ convergence rate, and that it achieves linear convergence under Polyak-Lojasciewicz assumption. This is the first stochastic algorithm for bilevel optimization that verifies either of these properties. Numerical experiments validate the usefulness of our method.

Hashem Ghanem, Joseph Salmon, Nicolas Keriven et al.

Sparsity priors are commonly used in denoising and image reconstruction. For analysis-type priors, a dictionary defines a representation of signals that is likely to be sparse. In most situations, this dictionary is not known, and is to be recovered from pairs of ground-truth signals and measurements, by minimizing the reconstruction error. This defines a hierarchical optimization problem, which can be cast as a bi-level optimization. Yet, this problem is unsolvable, as reconstructions and their derivative wrt the dictionary have no closed-form expression. However, reconstructions can be iteratively computed using the Forward-Backward splitting (FB) algorithm. In this paper, we approximate reconstructions by the output of the aforementioned FB algorithm. Then, we leverage automatic differentiation to evaluate the gradient of this output wrt the dictionary, which we learn with projected gradient descent. Experiments show that our algorithm successfully learns the 1D Total Variation (TV) dictionary from piecewise constant signals. For the same case study, we propose to constrain our search to dictionaries of 0-centered columns, which removes undesired local minima and improves numerical stability.

Nicolas Keriven, Alberto Bietti, Samuel Vaiter

We study the approximation power of Graph Neural Networks (GNNs) on latent position random graphs. In the large graph limit, GNNs are known to converge to certain "continuous" models known as c-GNNs, which directly enables a study of their approximation power on random graph models. In the absence of input node features however, just as GNNs are limited by the Weisfeiler-Lehman isomorphism test, c-GNNs will be severely limited on simple random graph models. For instance, they will fail to distinguish the communities of a well-separated Stochastic Block Model (SBM) with constant degree function. Thus, we consider recently proposed architectures that augment GNNs with unique node identifiers, referred to as Structural GNNs here (SGNNs). We study the convergence of SGNNs to their continuous counterpart (c-SGNNs) in the large random graph limit, under new conditions on the node identifiers. We then show that c-SGNNs are strictly more powerful than c-GNNs in the continuous limit, and prove their universality on several random graph models of interest, including most SBMs and a large class of random geometric graphs. Our results cover both permutation-invariant and permutation-equivariant architectures.

Quentin Bertrand, Quentin Klopfenstein, Mathurin Massias et al.

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.

Quentin Klopfenstein, Quentin Bertrand, Alexandre Gramfort et al.

For composite nonsmooth optimization problems, Forward-Backward algorithm achieves model identification (e.g. support identification for the Lasso) after a finite number of iterations, provided the objective function is regular enough. Results concerning coordinate descent are scarcer and model identification has only been shown for specific estimators, the support-vector machine for instance. In this work, we show that cyclic coordinate descent achieves model identification in finite time for a wide class of functions. In addition, we prove explicit local linear convergence rates for coordinate descent. Extensive experiments on various estimators and on real datasets demonstrate that these rates match well empirical results.

Nicolas Keriven, Alberto Bietti, Samuel Vaiter

We study properties of Graph Convolutional Networks (GCNs) by analyzing their behavior on standard models of random graphs, where nodes are represented by random latent variables and edges are drawn according to a similarity kernel. This allows us to overcome the difficulties of dealing with discrete notions such as isomorphisms on very large graphs, by considering instead more natural geometric aspects. We first study the convergence of GCNs to their continuous counterpart as the number of nodes grows. Our results are fully non-asymptotic and are valid for relatively sparse graphs with an average degree that grows logarithmically with the number of nodes. We then analyze the stability of GCNs to small deformations of the random graph model. In contrast to previous studies of stability in discrete settings, our continuous setup allows us to provide more intuitive deformation-based metrics for understanding stability, which have proven useful for explaining the success of convolutional representations on Euclidean domains.

Barbara Pascal, Samuel Vaiter, Nelly Pustelnik et al.

Penalized Least Squares are widely used in signal and image processing. Yet, it suffers from a major limitation since it requires fine-tuning of the regularization parameters. Under assumptions on the noise probability distribution, Stein-based approaches provide unbiased estimator of the quadratic risk. The Generalized Stein Unbiased Risk Estimator is revisited to handle correlated Gaussian noise without requiring to invert the covariance matrix. Then, in order to avoid expansive grid search, it is necessary to design algorithmic scheme minimizing the quadratic risk with respect to regularization parameters. This work extends the Stein's Unbiased GrAdient estimator of the Risk of Deledalle et al. to the case of correlated Gaussian noise, deriving a general automatic tuning of regularization parameters. First, the theoretical asymptotic unbiasedness of the gradient estimator is demonstrated in the case of general correlated Gaussian noise. Then, the proposed parameter selection strategy is particularized to fractal texture segmentation, where problem formulation naturally entails inter-scale and spatially correlated noise. Numerical assessment is provided, as well as discussion of the practical issues.

Quentin Bertrand, Quentin Klopfenstein, Mathieu Blondel et al.

Setting regularization parameters for Lasso-type estimators is notoriously difficult, though crucial in practice. The most popular hyperparameter optimization approach is grid-search using held-out validation data. Grid-search however requires to choose a predefined grid for each parameter, which scales exponentially in the number of parameters. Another approach is to cast hyperparameter optimization as a bi-level optimization problem, one can solve by gradient descent. The key challenge for these methods is the estimation of the gradient with respect to the hyperparameters. Computing this gradient via forward or backward automatic differentiation is possible yet usually suffers from high memory consumption. Alternatively implicit differentiation typically involves solving a linear system which can be prohibitive and numerically unstable in high dimension. In addition, implicit differentiation usually assumes smooth loss functions, which is not the case for Lasso-type problems. This work introduces an efficient implicit differentiation algorithm, without matrix inversion, tailored for Lasso-type problems. Our approach scales to high-dimensional data by leveraging the sparsity of the solutions. Experiments demonstrate that the proposed method outperforms a large number of standard methods to optimize the error on held-out data, or the Stein Unbiased Risk Estimator (SURE).

Nicolas Keriven, Samuel Vaiter

In this paper, we analyse classical variants of the Spectral Clustering (SC) algorithm in the Dynamic Stochastic Block Model (DSBM). Existing results show that, in the relatively sparse case where the expected degree grows logarithmically with the number of nodes, guarantees in the static case can be extended to the dynamic case and yield improved error bounds when the DSBM is sufficiently smooth in time, that is, the communities do not change too much between two time steps. We improve over these results by drawing a new link between the sparsity and the smoothness of the DSBM: the more regular the DSBM is, the more sparse it can be, while still guaranteeing consistent recovery. In particular, a mild condition on the smoothness allows to treat the sparse case with bounded degree. We also extend these guarantees to the normalized Laplacian, and as a by-product of our analysis, we obtain to our knowledge the best spectral concentration bound available for the normalized Laplacian of matrices with independent Bernoulli entries.

Quentin Klopfenstein, Samuel Vaiter

This paper studies the addition of linear constraints to the Support Vector Regression (SVR) when the kernel is linear. Adding those constraints into the problem allows to add prior knowledge on the estimator obtained, such as finding probability vector or monotone data. We propose a generalization of the Sequential Minimal Optimization (SMO) algorithm for solving the optimization problem with linear constraints and prove its convergence. Then, practical performances of this estimator are shown on simulated and real datasets with different settings: non negative regression, regression onto the simplex for biomedical data and isotonic regression for weather forecast.

Mathurin Massias, Samuel Vaiter, Alexandre Gramfort et al.

Generalized Linear Models (GLM) form a wide class of regression and classification models, where prediction is a function of a linear combination of the input variables. For statistical inference in high dimension, sparsity inducing regularizations have proven to be useful while offering statistical guarantees. However, solving the resulting optimization problems can be challenging: even for popular iterative algorithms such as coordinate descent, one needs to loop over a large number of variables. To mitigate this, techniques known as screening rules and working sets diminish the size of the optimization problem at hand, either by progressively removing variables, or by solving a growing sequence of smaller problems. For both techniques, significant variables are identified thanks to convex duality arguments. In this paper, we show that the dual iterates of a GLM exhibit a Vector AutoRegressive (VAR) behavior after sign identification, when the primal problem is solved with proximal gradient descent or cyclic coordinate descent. Exploiting this regularity, one can construct dual points that offer tighter certificates of optimality, enhancing the performance of screening rules and helping to design competitive working set algorithms.

Charles-Alban Deledalle, Nicolas Papadakis, Joseph Salmon et al.

We focus on the maximum regularization parameter for anisotropic total-variation denoising. It corresponds to the minimum value of the regularization parameter above which the solution remains constant. While this value is well know for the Lasso, such a critical value has not been investigated in details for the total-variation. Though, it is of importance when tuning the regularization parameter as it allows fixing an upper-bound on the grid for which the optimal parameter is sought. We establish a closed form expression for the one-dimensional case, as well as an upper-bound for the two-dimensional case, that appears reasonably tight in practice. This problem is directly linked to the computation of the pseudo-inverse of the divergence, which can be quickly obtained by performing convolutions in the Fourier domain.

Samuel Vaiter, Gabriel Peyré, Jalal M. Fadili

Inverse problems and regularization theory is a central theme in contemporary signal processing, where the goal is to reconstruct an unknown signal from partial indirect, and possibly noisy, measurements of it. A now standard method for recovering the unknown signal is to solve a convex optimization problem that enforces some prior knowledge about its structure. This has proved efficient in many problems routinely encountered in imaging sciences, statistics and machine learning. This chapter delivers a review of recent advances in the field where the regularization prior promotes solutions conforming to some notion of simplicity/low-complexity. These priors encompass as popular examples sparsity and group sparsity (to capture the compressibility of natural signals and images), total variation and analysis sparsity (to promote piecewise regularity), and low-rank (as natural extension of sparsity to matrix-valued data). Our aim is to provide a unified treatment of all these regularizations under a single umbrella, namely the theory of partial smoothness. This framework is very general and accommodates all low-complexity regularizers just mentioned, as well as many others. Partial smoothness turns out to be the canonical way to encode low-dimensional models that can be linear spaces or more general smooth manifolds. This review is intended to serve as a one stop shop toward the understanding of the theoretical properties of the so-regularized solutions. It covers a large spectrum including: (i) recovery guarantees and stability to noise, both in terms of $\ell^2$-stability and model (manifold) identification; (ii) sensitivity analysis to perturbations of the parameters involved (in particular the observations), with applications to unbiased risk estimation ; (iii) convergence properties of the forward-backward proximal splitting scheme, that is particularly well suited to solve the corresponding large-scale regularized optimization problem.

Samuel Vaiter, Gabriel Peyré, Jalal M. Fadili

This paper studies least-square regression penalized with partly smooth convex regularizers. This class of functions is very large and versatile allowing to promote solutions conforming to some notion of low-complexity. Indeed, they force solutions of variational problems to belong to a low-dimensional manifold (the so-called model) which is stable under small perturbations of the function. This property is crucial to make the underlying low-complexity model robust to small noise. We show that a generalized "irrepresentable condition" implies stable model selection under small noise perturbations in the observations and the design matrix, when the regularization parameter is tuned proportionally to the noise level. This condition is shown to be almost a necessary condition. We then show that this condition implies model consistency of the regularized estimator. That is, with a probability tending to one as the number of measurements increases, the regularized estimator belongs to the correct low-dimensional model manifold. This work unifies and generalizes several previous ones, where model consistency is known to hold for sparse, group sparse, total variation and low-rank regularizations.

Charles-Alban Deledalle, Samuel Vaiter, Gabriel Peyré et al.

In this paper, we develop an approach to recursively estimate the quadratic risk for matrix recovery problems regularized with spectral functions. Toward this end, in the spirit of the SURE theory, a key step is to compute the (weak) derivative and divergence of a solution with respect to the observations. As such a solution is not available in closed form, but rather through a proximal splitting algorithm, we propose to recursively compute the divergence from the sequence of iterates. A second challenge that we unlocked is the computation of the (weak) derivative of the proximity operator of a spectral function. To show the potential applicability of our approach, we exemplify it on a matrix completion problem to objectively and automatically select the regularization parameter.