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Clément W. Royer

Publications and source records attributed to Clément W. Royer.

18 recordsLinked to original sources

A Network Simplex Framework For Discrete Unbalanced Optimal Transport

The network simplex method is a classical algorithm for minimum cost flow problems formulated as linear programs, that has attracted recent interest from the optimal transport community. Indeed, discrete optimal transport is a subclass of minimum cost flow for which network simplex techniques compute exact solutions while leveraging the inherent problem sparsity. However, extending these approaches to other, nonlinear optimal transport formulations has yet to be thoroughly investigated. In this paper, we adapt the network simplex algorithm to unbalanced optimal transport. Our proposed framework is applicable to various unbalanced formulations, and can be implemented explicitly in the most common cases, including semi-unbalanced optimal transport. The resulting algorithms are memory-efficient, and perform competitively with existing approaches, as shown by our experiments on a range of transport and barycenter calculations.

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Complexity guarantees and polling strategies for Riemannian direct-search methods

Direct-search algorithms are derivative-free optimization techniques that operate by polling the variable space along specific directions forming positive spanning sets (PSSs). When the problem variables are constrained to lie on a Riemannian manifold, polling must be performed along tangent directions. Although Riemannian variants of direct search have already been proposed and endowed with asymptotic guarantees, a proper generalization of PSSs on manifolds remains to be investigated. In particular, a measure of quality for those PSSs is required to obtain complexity bounds for direct search. In this paper, we derive complexity guarantees for a class of Riemannian direct-search techniques, and study two ways of generating positive spanning sets in tangent spaces. We pay particular attention to the unit hypersphere case, for which we establish that generating directions directly within the tangent space leads to better complexity properties than projecting PSSs from the ambient space onto the tangent space. Our numerical experiments highlight the impact of dimension and codimension in more general settings.

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Polling Set Construction and Worst-Case Complexity for Direct Search under Polyhedral Convex Constraints

Direct search is one of the most popular derivative-free optimization paradigms, that relies on exploring the variable space using polling directions. To analyze and implement direct search, one typically relies on positive spanning sets. This concept is somewhat decorrelated from interpolation-based sets used in model-based algorithms, another class of derivative-free optimization methods. This discrepancy is even more pronounced for constrained problems, where recent advances in the interpolation-based setting have produced a unified picture that is still lacking in the direct-search case. In this paper, we introduce a new theoretical underpinning for direct-search methods, that can be defined for general convex constraints and lead to complexity guarantees, as in the model-based setting. By focusing on polyhedral convex constraints, we are able to construct polling sets that meet our new theoretical requirements. In particular, our polling sets necessarily include directions outside of the approximate tangent cone, giving theoretical justification to existing practical heuristics which incorporate this idea. Our numerical results confirm that adding these extra directions significantly improves practical performance.

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Direct-search methods for decentralized blackbox optimization

Derivative-free optimization algorithms are particularly useful for tackling blackbox optimization problems where the objective function arises from complex and expensive procedures that preclude the use of classical gradient-based methods. In contemporary decentralized environments, such functions are defined locally on different computational nodes due to technical or privacy constraints, introducing additional challenges within the optimization process. In this paper, we adapt direct-search methods, a classical technique in derivative-free optimization, to the decentralized setting. In contrast with zeroth-order algorithms, our algorithms rely on positive spanning sets to define suitable search directions while still possessing global convergence guaranties, thanks to carefully chosen stepsizes. Numerical experiments highlight the advantages of direct-search techniques over gradient-approximation-based strategies.

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A line search framework with restarting for noisy optimization problems

Nonlinear optimization methods are typically iterative and make use of gradient information to determine a direction of improvement and function information to effectively check for progress. When this information is corrupted by noise, designing a convergent and practical algorithmic process becomes challenging, as care must be taken to avoid taking bad steps due to erroneous information. For this reason, simple gradient-based schemes have been quite popular, despite being outperformed by more advanced techniques in the noiseless setting. In this paper, we propose a general algorithmic framework based on line search that is endowed with iteration and evaluation complexity guarantees even in a noisy setting. These guarantees are obtained as a result of a restarting condition, that monitors desirable properties for the steps taken at each iteration and can be checked even in the presence of noise. Experiments using a nonlinear conjugate gradient variant and a quasi-Newton variant illustrate that restarting can be performed without compromising practical efficiency and robustness.

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A characterization of positive spanning sets with ties to strongly connected digraphs

Positive spanning sets (PSSs) are families of vectors that span a given linear space through non-negative linear combinations. Despite certain classes of PSSs being well understood, a complete characterization of PSSs remains elusive. In this paper, we explore a relatively understudied relationship between positive spanning sets and strongly edge-connected digraphs, in that the former can be viewed as a generalization of the latter. We leverage this connection to define a decomposition structure for positive spanning sets inspired by the ear decomposition from digraph theory.

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Using orthogonally structured positive bases for constructing positive $k$-spanning sets with cosine measure guarantees

Positive spanning sets span a given vector space by nonnegative linear combinations of their elements. These have attracted significant attention in recent years, owing to their extensive use in derivative-free optimization. In this setting, the quality of a positive spanning set is assessed through its cosine measure, a geometric quantity that expresses how well such a set covers the space of interest. In this paper, we investigate the construction of positive $k$-spanning sets with geometrical guarantees. Our results build on recently identified positive spanning sets, called orthogonally structured positive bases. We first describe how to identify such sets and compute their cosine measures efficiently. We then focus our study on positive $k$-spanning sets, for which we provide a complete description, as well as a new notion of cosine measure that accounts for the resilient nature of such sets. By combining our results, we are able to use orthogonally structured positive bases to create positive $k$-spanning sets with guarantees on the value of their cosine measures.

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Complexity analysis of regularization methods for implicitly constrained least squares

Optimization problems constrained by partial differential equations (PDEs) naturally arise in scientific computing, as those constraints often model physical systems or the simulation thereof. In an implicitly constrained approach, the constraints are incorporated into the objective through a reduced formulation. To this end, a numerical procedure is typically applied to solve the constraint system, and efficient numerical routines with quantifiable cost have long been developed for that purpose. Meanwhile, the field of complexity in optimization, that estimates the cost of an optimization algorithm, has received significant attention in the literature, with most of the focus being on unconstrained or explicitly constrained problems. In this paper, we analyze an algorithmic framework based on quadratic regularization for implicitly constrained nonlinear least squares. By leveraging adjoint formulations, we can quantify the worst-case cost of our method to reach an approximate stationary point of the optimization problem. Our definition of such points exploits the least-squares structure of the objective, and provides new complexity insights even in the unconstrained setting. Numerical experiments conducted on PDE-constrained optimization problems demonstrate the efficiency of the proposed framework.

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Full-Low Evaluation Methods For Bound and Linearly Constrained Derivative-Free Optimization

Derivative-free optimization (DFO) consists in finding the best value of an objective function without relying on derivatives. To tackle such problems, one may build approximate derivatives, using for instance finite-difference estimates. One may also design algorithmic strategies that perform space exploration and seek improvement over the current point. The first type of strategy often provides good performance on smooth problems but at the expense of more function evaluations. The second type is cheaper and typically handles non-smoothness or noise in the objective better. Recently, full-low evaluation methods have been proposed as a hybrid class of DFO algorithms that combine both strategies, respectively denoted as Full-Eval and Low-Eval. In the unconstrained case, these methods showed promising numerical performance. In this paper, we extend the full-low evaluation framework to bound and linearly constrained derivative-free optimization. We derive convergence results for an instance of this framework, that combines finite-difference quasi-Newton steps with probabilistic direct-search steps. The former are projected onto the feasible set, while the latter are defined within tangent cones identified by nearby active constraints. We illustrate the practical performance of our instance on standard linearly constrained problems, that we adapt to introduce noisy evaluations as well as non-smoothness. In all cases, our method performs favorably compared to algorithms that rely solely on Full-eval or Low-eval iterations.

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Riemannian trust-region methods for strict saddle functions with complexity guarantees

The difficulty of minimizing a nonconvex function is in part explained by the presence of saddle points. This slows down optimization algorithms and impacts worst-case complexity guarantees. However, many nonconvex problems of interest possess a favorable structure for optimization, in the sense that saddle points can be escaped efficiently by appropriate algorithms. This strict saddle property has been extensively used in data science to derive good properties for first-order algorithms, such as convergence to second-order critical points. However, the analysis and the design of second-order algorithms in the strict saddle setting have received significantly less attention. In this paper, we consider second-order trust-region methods for a class of strict saddle functions defined on Riemannian manifolds. These functions exhibit (geodesic) strong convexity around minimizers and negative curvature at saddle points. We show that the standard trust-region method with exact subproblem minimization finds an approximate local minimizer in a number of iterations that depends logarithmically on the accuracy parameter, which significantly improves known results for general nonconvex optimization. We also propose an inexact variant of the algorithm that explicitly leverages the strict saddle property to compute the most appropriate step at every iteration. Our bounds for the inexact variant also improve over the general nonconvex case, and illustrate the benefit of using strict saddle properties within optimization algorithms. Keywords: Riemannian optimization, strict saddle function, second-order method, complexity guarantees.

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Expected decrease for derivative-free algorithms using random subspaces

Derivative-free algorithms seek the minimum of a given function based only on function values queried at appropriate points. Although these methods are widely used in practice, their performance is known to worsen as the problem dimension increases. Recent advances in developing randomized derivative-free techniques have tackled this issue by working in low-dimensional subspaces that are drawn at random in an iterative fashion. The connection between the dimension of these random subspaces and the algorithmic guarantees has yet to be fully understood. In this paper, we develop an analysis for derivative-free algorithms (both direct-search and model-based approaches) employing random subspaces. Our results leverage linear local approximations of smooth functions to obtain understanding of the expected decrease achieved per function evaluation. Although the quantities of interest involve multidimensional integrals with no closed-form expression, a relative comparison for different subspace dimensions suggest that low dimension is preferable. Numerical computation of the quantities of interest confirm the benefit of operating in low-dimensional subspaces.

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Detecting negative eigenvalues of exact and approximate Hessian matrices in optimization

Nonconvex minimization algorithms often benefit from the use of second-order information as represented by the Hessian matrix. When the Hessian at a critical point possesses negative eigenvalues, the corresponding eigenvectors can be used to search for further improvement in the objective function value. Computing such eigenpairs can be computationally challenging, particularly if the Hessian matrix itself cannot be built directly but must rather be sampled or approximated. In blackbox optimization, such derivative approximations are built at a significant cost in terms of function values. In this paper, we investigate practical approaches to detect negative eigenvalues in Hessian matrices without access to the full matrix. We propose a general framework that begins with the diagonal and gradually builds submatrices to detect negative curvature. Crucially,our approach works both when exact Hessian coordinate values are available and when Hessian coordinate values are approximated. We compare several instances of our framework on a test set of Hessian matrices from a popular optimization library, and finite-differences approximations thereof. Our experiments highlight the importance of the variable order in the problem description, and show that forming submatrices is often an efficient approach to detect negative curvature.

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Direct search based on probabilistic descent in reduced spaces

In this paper, we study a generic direct-search algorithm in which the polling directions are defined using random subspaces. Complexity guarantees for such an approach are derived thanks to probabilistic properties related to both the subspaces and the directions used within these subspaces. Our analysis crucially extends previous deterministic and probabilistic arguments by relaxing the need for directions to be deterministically bounded in norm. As a result, our approach encompasses a wide range of new optimal polling strategies that can be characterized using our subspace and direction properties. By leveraging results on random subspace embeddings and sketching matrices, we show that better complexity bounds are obtained for randomized instances of our framework. A numerical investigation confirms the benefit of randomization, particularly when done in subspaces, when solving problems of moderately large dimension.

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A nonlinear conjugate gradient method with complexity guarantees and its application to nonconvex regression

Nonlinear conjugate gradients are among the most popular techniques for solving continuous optimization problems. Although these schemes have long been studied from a global convergence standpoint, their worst-case complexity properties have yet to be fully understood, especially in the nonconvex setting. In particular, it is unclear whether nonlinear conjugate gradient methods possess better guarantees than first-order methods such as gradient descent. Meanwhile, recent experiments have shown impressive performance of standard nonlinear conjugate gradient techniques on certain nonconvex problems, even when compared with methods endowed with the best known complexity guarantees. In this paper, we propose a nonlinear conjugate gradient scheme based on a simple line-search paradigm and a modified restart condition. These two ingredients allow for monitoring the properties of the search directions, which is instrumental in obtaining complexity guarantees. Our complexity results illustrate the possible discrepancy between nonlinear conjugate gradient methods and classical gradient descent. A numerical investigation on nonconvex robust regression problems as well as a standard benchmark illustrate that the restarting condition can track the behavior of a standard implementation.

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A Subsampling Line-Search Method with Second-Order Results

In many contemporary optimization problems such as those arising in machine learning, it can be computationally challenging or even infeasible to evaluate an entire function or its derivatives. This motivates the use of stochastic algorithms that sample problem data, which can jeopardize the guarantees obtained through classical globalization techniques in optimization such as a trust region or a line search. Using subsampled function values is particularly challenging for the latter strategy, which relies upon multiple evaluations. On top of that all, there has been an increasing interest for nonconvex formulations of data-related problems, such as training deep learning models. For such instances, one aims at developing methods that converge to second-order stationary points quickly, i.e., escape saddle points efficiently. This is particularly delicate to ensure when one only accesses subsampled approximations of the objective and its derivatives. In this paper, we describe a stochastic algorithm based on negative curvature and Newton-type directions that are computed for a subsampling model of the objective. A line-search technique is used to enforce suitable decrease for this model, and for a sufficiently large sample, a similar amount of reduction holds for the true objective. By using probabilistic reasoning, we can then obtain worst-case complexity guarantees for our framework, leading us to discuss appropriate notions of stationarity in a subsampling context. Our analysis encompasses the deterministic regime, and allows us to identify sampling requirements for second-order line-search paradigms. As we illustrate through real data experiments, these worst-case estimates need not be satisfied for our method to be competitive with first-order strategies in practice.

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On averaging the best samples in evolutionary computation

Choosing the right selection rate is a long standing issue in evolutionary computation. In the continuous unconstrained case, we prove mathematically that a single parent $μ=1$ leads to a sub-optimal simple regret in the case of the sphere function. We provide a theoretically-based selection rate $μ/λ$ that leads to better progress rates. With our choice of selection rate, we get a provable regret of order $O(λ^{-1})$ which has to be compared with $O(λ^{-2/d})$ in the case where $μ=1$. We complete our study with experiments to confirm our theoretical claims.

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A Newton-CG Algorithm with Complexity Guarantees for Smooth Unconstrained Optimization

We consider minimization of a smooth nonconvex objective function using an iterative algorithm based on Newton's method and the linear conjugate gradient algorithm, with explicit detection and use of negative curvature directions for the Hessian of the objective function. The algorithm tracks Newton-conjugate gradient procedures developed in the 1980s closely, but includes enhancements that allow worst-case complexity results to be proved for convergence to points that satisfy approximate first-order and second-order optimality conditions. The complexity results match the best known results in the literature for second-order methods.

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Complexity analysis of second-order line-search algorithms for smooth nonconvex optimization

There has been much recent interest in finding unconstrained local minima of smooth functions, due in part of the prevalence of such problems in machine learning and robust statistics. A particular focus is algorithms with good complexity guarantees. Second-order Newton-type methods that make use of regularization and trust regions have been analyzed from such a perspective. More recent proposals, based chiefly on first-order methodology, have also been shown to enjoy optimal iteration complexity rates, while providing additional guarantees on computational cost. In this paper, we present an algorithm with favorable complexity properties that differs in two significant ways from other recently proposed methods. First, it is based on line searches only: Each step involves computation of a search direction, followed by a backtracking line search along that direction. Second, its analysis is rather straightforward, relying for the most part on the standard technique for demonstrating sufficient decrease in the objective from backtracking. In the latter part of the paper, we consider inexact computation of the search directions, using iterative methods in linear algebra: the conjugate gradient and Lanczos methods. We derive modified convergence and complexity results for these more practical methods.

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