Youssef Diouane

Paul Saves, Youssef Diouane, Nathalie Bartoli et al.

Recently, there has been a growing interest in mixed-categorical metamodels based on Gaussian Process (GP) for Bayesian optimization. In this context, different approaches can be used to build the mixed-categorical GP. Many of these approaches involve a high number of hyperparameters; in fact, the more general and precise the strategy used to build the GP, the greater the number of hyperparameters to estimate. This paper introduces an innovative dimension reduction algorithm that relies on partial least squares regression to reduce the number of hyperparameters used to build a mixed-variable GP. Our goal is to generalize classical dimension reduction techniques commonly used within GP (for continuous inputs) to handle mixed-categorical inputs. The good potential of the proposed method is demonstrated in both structural and multidisciplinary application contexts. The targeted applications include the analysis of a cantilever beam as well as the optimization of a green aircraft, resulting in a significant 439-kilogram reduction in fuel consumption during a single mission.

Ali Tfaily, Youssef Diouane, Nathalie Bartoli et al.

The use of transfer learning within Bayesian optimization addresses the disadvantages of the so-called \textit{cold start} problem by using source data to aid in the optimization of a target problem. We present a method that leverages an ensemble of surrogate models using transfer learning and integrates it in a constrained Bayesian optimization framework. We identify challenges particular to aircraft design optimization related to heterogeneous design variables and constraints. We propose the use of a partial-least-squares dimension reduction algorithm to address design space heterogeneity, and a \textit{meta} data surrogate selection method to address constraint heterogeneity. Numerical benchmark problems and an aircraft conceptual design optimization problem are used to demonstrate the proposed methods. Results show significant improvement in convergence in early optimization iterations compared to standard Bayesian optimization, with improved prediction accuracy for both objective and constraint surrogate models.

Youssef Diouane, Selime Gürol, Oussama Mouhtal et al.

We study the solution of large symmetric positive-definite linear systems in a matrix-free setting with a limited iteration budget. We focus on the preconditioned conjugate gradient (PCG) method with spectral preconditioning. Spectral preconditioners map a subset of eigenvalues to a positive cluster via a scaling parameter, and leave the remainder of the spectrum unchanged, in hopes to reduce the number of iterations to convergence. We formulate the design of the spectral preconditioners as a constrained optimization problem. The optimal cluster placement is defined to minimize the error in energy norm at a fixed iteration. This optimality criterion provides new insight into the design of efficient spectral preconditioners when PCG is stopped short of convergence. We propose practical strategies for selecting the scaling parameter, hence the cluster position, that incur negligible computational cost. Numerical experiments highlight the importance of cluster placement and demonstrate significant improvements in terms of error in energy norm, particularly during the initial iterations.

Oihan Cordelier, Youssef Diouane, Nathalie Bartoli et al.

Aircraft design relies heavily on solving challenging and computationally expensive Multidisciplinary Design Optimization problems. In this context, there has been growing interest in multi-fidelity models for Bayesian optimization to improve the MDO process by balancing computational cost and accuracy through the combination of high- and low-fidelity simulation models, enabling efficient exploration of the design process at a minimal computational effort. In the existing literature, fidelity selection focuses only on the objective function to decide how to integrate multiple fidelity levels, balancing precision and computational cost using variance reduction criteria. In this work, we propose novel multi-fidelity selection strategies. Specifically, we demonstrate how incorporating information from both the objective and the constraints can further reduce computational costs without compromising the optimality of the solution. We validate the proposed multi-fidelity optimization strategy by applying it to four analytical test cases, showcasing its effectiveness. The proposed method is used to efficiently solve a challenging aircraft wing aero-structural design problem. The proposed setting uses a linear vortex lattice method and a finite element method for the aerodynamic and structural analysis respectively. We show that employing our proposed multi-fidelity approach leads to $86\%$ to $200\%$ more constraint compliant solutions given a limited budget compared to the state-of-the-art approach.

Paul Saves, Edward Hallé-Hannan, Jasper Bussemaker et al.

Simulation-based problems involving mixed-variable inputs frequently feature domains that are hierarchical, conditional, heterogeneous, or tree-structured. These characteristics pose challenges for data representation, modeling, and optimization. This paper reviews extensive literature on these structured input spaces and proposes a unified framework that generalizes existing approaches. In this framework, input variables may be continuous, integer, or categorical. A variable is described as meta if its value governs the presence of other decreed variables, enabling the modeling of conditional and hierarchical structures. We further introduce the concept of partially-decreed variables, whose activation depends on contextual conditions. To capture these inter-variable hierarchical relationships, we introduce design space graphs, combining principles from feature modeling and graph theory. This allows the definition of general hierarchical domains suitable for describing complex system architectures. Our framework defines hierarchical distances and kernels to enable surrogate modeling and optimization on hierarchical domains. We demonstrate its effectiveness on complex system design problems, including a neural network and a green-aircraft case study. Our methods are available in the open-source Surrogate Modeling Toolbox (SMT 2.0).

Paul Saves, Remi Lafage, Nathalie Bartoli et al.

The Surrogate Modeling Toolbox (SMT) is an open-source Python package that offers a collection of surrogate modeling methods, sampling techniques, and a set of sample problems. This paper presents SMT 2.0, a major new release of SMT that introduces significant upgrades and new features to the toolbox. This release adds the capability to handle mixed-variable surrogate models and hierarchical variables. These types of variables are becoming increasingly important in several surrogate modeling applications. SMT 2.0 also improves SMT by extending sampling methods, adding new surrogate models, and computing variance and kernel derivatives for Kriging. This release also includes new functions to handle noisy and use multifidelity data. To the best of our knowledge, SMT 2.0 is the first open-source surrogate library to propose surrogate models for hierarchical and mixed inputs. This open-source software is distributed under the New BSD license.

Youssef Diouane, Mohamed Laghdaf Habiboullah, Dominique Orban

We develop R2N, a modified quasi-Newton method for minimizing the sum of a $\mathcal{C}^1$ function $f$ and a lower semi-continuous prox-bounded $h$. Both $f$ and $h$ may be nonconvex. At each iteration, our method computes a step by minimizing the sum of a quadratic model of $f$, a model of $h$, and an adaptive quadratic regularization term. A step may be computed by a variant of the proximal-gradient method. An advantage of R2N over trust-region (TR) methods is that proximal operators do not involve an extra TR indicator. We also develop the variant R2DH, in which the model Hessian is diagonal, which allows us to compute a step without relying on a subproblem solver when $h$ is separable. R2DH can be used as standalone solver, but also as subproblem solver inside R2N. We describe non-monotone variants of both R2N and R2DH. Global convergence of a first-order stationarity measure to zero holds without relying on local Lipschitz continuity of $\nabla f$, while allowing model Hessians to grow unbounded, an assumption particularly relevant to quasi-Newton models. Under Lipschitz-continuity of $\nabla f$, we establish a tight worst-case complexity bound of $O(1 / ε^{2/(1 - p)})$ to bring said measure below $ε> 0$, where $0 \leq p < 1$ controls the growth of model Hessians. The latter must not diverge faster than $|\mathcal{S}_k|^p$, where $\mathcal{S}_k$ is the set of successful iterations up to iteration $k$. When $p = 1$, we establish the tight exponential complexity bound $O(\exp(c ε^{-2}))$ where $c > 0$ is a constant. We describe our Julia implementation and report numerical experience on a classic basis-pursuit problem, an image denoising problem, a minimum-rank matrix completion problem, a nonlinear support vector machine and an inverse nonlinear problem.

Maryam Alipourhajiagha, Pierre-Louis Lemaire, Youssef Diouane et al.

Climate models are limited by heavy computational costs, often producing outputs at coarse spatial resolutions, while many climate change impact studies require finer scales. Statistical downscaling bridges this gap, and we adapt the probabilistic U-Net for this task, combining a deterministic U-Net backbone with a variational latent space to capture aleatoric uncertainty. We evaluate four training objectives, afCRPS and WMSE-MS-SSIM with three settings for downscaling precipitation and temperature from $16\times$ coarser resolution. Our main finding is that WMSE-MS-SSIM performs well for extremes under certain settings, whereas afCRPS better captures spatial variability across scales.

Paul Saves, Nathalie Bartoli, Youssef Diouane et al.

Multidisciplinary design optimization methods aim at adapting numerical optimization techniques to the design of engineering systems involving multiple disciplines. In this context, a large number of mixed continuous, integer and categorical variables might arise during the optimization process and practical applications involve a large number of design variables. Recently, there has been a growing interest in mixed variables constrained Bayesian optimization but most existing approaches severely increase the number of the hyperparameters related to the surrogate model. In this paper, we address this issue by constructing surrogate models using less hyperparameters. The reduction process is based on the partial least squares method. An adaptive procedure for choosing the number of hyperparameters is proposed. The performance of the proposed approach is confirmed on analytical tests as well as two real applications related to aircraft design. A significant improvement is obtained compared to genetic algorithms.

Robin Grapin, Youssef Diouane, Joseph Morlier et al.

Bayesian optimization is an advanced tool to perform ecient global optimization It consists on enriching iteratively surrogate Kriging models of the objective and the constraints both supposed to be computationally expensive of the targeted optimization problem Nowadays efficient extensions of Bayesian optimization to solve expensive multiobjective problems are of high interest The proposed method in this paper extends the super efficient global optimization with mixture of experts SEGOMOE to solve constrained multiobjective problems To cope with the illposedness of the multiobjective inll criteria different enrichment procedures using regularization techniques are proposed The merit of the proposed approaches are shown on known multiobjective benchmark problems with and without constraints The proposed methods are then used to solve a biobjective application related to conceptual aircraft design with ve unknown design variables and three nonlinear inequality constraints The preliminary results show a reduction of the total cost in terms of function evaluations by a factor of 20 compared to the evolutionary algorithm NSGA-II.

Nathalie Bartoli, Thierry Lefebvre, Rémi Lafage et al.

This work aims at developing new methodologies to optimize computational costly complex systems (e.g., aeronautical engineering systems). The proposed surrogate-based method (often called Bayesian optimization) uses adaptive sampling to promote a trade-off between exploration and exploitation. Our in-house implementation, called SEGOMOE, handles a high number of design variables (continuous, discrete or categorical) and nonlinearities by combining mixtures of experts for the objective and/or the constraints. Additionally, the method handles multi-objective optimization settings, as it allows the construction of accurate Pareto fronts with a minimal number of function evaluations. Different infill criteria have been implemented to handle multiple objectives with or without constraints. The effectiveness of the proposed method was tested on practical aeronautical applications within the context of the European Project AGILE 4.0 and demonstrated favorable results. A first example concerns a retrofitting problem where a comparison between two optimizers have been made. A second example introduces hierarchical variables to deal with architecture system in order to design an aircraft family. The third example increases drastically the number of categorical variables as it combines aircraft design, supply chain and manufacturing process. In this article, we show, on three different realistic problems, various aspects of our optimization codes thanks to the diversity of the treated aircraft problems.

Rémy Priem, Youssef Diouane, Nathalie Bartoli et al.

Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension because of the curse of dimensionality. In this paper, a high-dimensionnal optimization method incorporating linear embedding subspaces of small dimension is proposed to efficiently perform the optimization. An adaptive learning strategy for these linear embeddings is carried out in conjunction with the optimization. The resulting BO method, named efficient global optimization coupled with random and supervised embedding (EGORSE), combines in an adaptive way both random and supervised linear embeddings. EGORSE has been compared to state-of-the-art algorithms and tested on academic examples with a number of design variables ranging from 10 to 600. The obtained results show the high potential of EGORSE to solve high-dimensional blackbox optimization problems, in terms of both CPU time and the limited number of calls to the expensive blackbox simulation.

Amir Ali Farzin, Yuen Man Pun, Philipp Braun et al.

This study explores the performance of the random Gaussian smoothing Zeroth-Order ExtraGradient (ZO-EG) scheme considering \Af{deterministic} min-max optimisation problems with possibly NonConvex-NonConcave (NC-NC) objective functions. We consider both unconstrained and constrained, differentiable and non-differentiable settings. We discuss the min-max problem from the point of view of variational inequalities. For the unconstrained problem, we establish the convergence of the ZO-EG algorithm to the neighbourhood of an $ε$-stationary point of the NC-NC objective function, whose radius can be controlled under a variance reduction scheme, along with its complexity. For the constrained problem, we introduce the new notion of proximal variational inequalities and give examples of functions satisfying this property. Moreover, we prove analogous results to the unconstrained case for the constrained problem. For the non-differentiable case, we prove the convergence of the ZO-EG algorithm to a neighbourhood of an $ε$-stationary point of the smoothed version of the objective function, where the radius of the neighbourhood can be controlled, which can be related to the ($δ,ε$)-Goldstein stationary point of the original objective function.

Paul Saves, Jasper Bussemaker, Rémi Lafage et al.

For developing innovative systems architectures, modeling and optimization techniques have been central to frame the architecting process and define the optimization and modeling problems. In this context, for system-of-systems the use of efficient dedicated approaches (often physics-based simulations) is highly recommended to reduce the computational complexity of the targeted applications. However, exploring novel architectures using such dedicated approaches might pose challenges for optimization algorithms, including increased evaluation costs and potential failures. To address these challenges, surrogate-based optimization algorithms, such as Bayesian optimization utilizing Gaussian process models have emerged.

Edward Hallé-Hannan, Charles Audet, Youssef Diouane et al.

Heterogeneous datasets emerge in various machine learning and optimization applications that feature different input sources, types or formats. Most models or methods do not natively tackle heterogeneity. Hence, such datasets are often partitioned into smaller and simpler ones, which may limit the generalizability or performance, especially when data is limited. The first main contribution of this work is a modeling framework that generalizes hierarchical, tree-structured, variable-size or conditional search frameworks. The framework models mixed-variable and hierarchical domains in which variables may be continuous, integer, or categorical, with some identified as meta when they influence the structure of the problem. The second main contribution is a novel distance that compares any pair of mixed-variable points that do not share the same variables, allowing to use whole heterogeneous datasets that reside in mixed-variable and hierarchical domains with meta variables. The contributions are illustrated through regression and classification experiments using simple distance-based models applied to datasets of hyperparameters with corresponding performance scores.

Youssef Diouane, Aurelien Lucchi, Vihang Patil

Evolutionary strategies have recently been shown to achieve competing levels of performance for complex optimization problems in reinforcement learning. In such problems, one often needs to optimize an objective function subject to a set of constraints, including for instance constraints on the entropy of a policy or to restrict the possible set of actions or states accessible to an agent. Convergence guarantees for evolutionary strategies to optimize stochastic constrained problems are however lacking in the literature. In this work, we address this problem by designing a novel optimization algorithm with a sufficient decrease mechanism that ensures convergence and that is based only on estimates of the functions. We demonstrate the applicability of this algorithm on two types of experiments: i) a control task for maximizing rewards and ii) maximizing rewards subject to a non-relaxable set of constraints.

Sotiris Anagnostidis, Aurelien Lucchi, Youssef Diouane

Recent applications in machine learning have renewed the interest of the community in min-max optimization problems. While gradient-based optimization methods are widely used to solve such problems, there are however many scenarios where these techniques are not well-suited, or even not applicable when the gradient is not accessible. We investigate the use of direct-search methods that belong to a class of derivative-free techniques that only access the objective function through an oracle. In this work, we design a novel algorithm in the context of min-max saddle point games where one sequentially updates the min and the max player. We prove convergence of this algorithm under mild assumptions, where the objective of the max-player satisfies the Polyak-Łojasiewicz (PL) condition, while the min-player is characterized by a nonconvex objective. Our method only assumes dynamically adjusted accurate estimates of the oracle with a fixed probability. To the best of our knowledge, our analysis is the first one to address the convergence of a direct-search method for min-max objectives in a stochastic setting.

Youssef Diouane, Victor Picheny, Rodolphe Le Riche et al.

Efficient Global Optimization (EGO) is the canonical form of Bayesian optimization that has been successfully applied to solve global optimization of expensive-to-evaluate black-box problems. However, EGO struggles to scale with dimension, and offers limited theoretical guarantees. In this work, a trust-region framework for EGO (TREGO) is proposed and analyzed. TREGO alternates between regular EGO steps and local steps within a trust region. By following a classical scheme for the trust region (based on a sufficient decrease condition), the proposed algorithm enjoys global convergence properties, while departing from EGO only for a subset of optimization steps. Using extensive numerical experiments based on the well-known COCO {bound constrained problems}, we first analyze the sensitivity of TREGO to its own parameters, then show that the resulting algorithm is consistently outperforming EGO and getting competitive with other state-of-the-art black-box optimization methods.

Remy Priem, Hugo Gagnon, Ian Chittick et al.

The multi-level, multi-disciplinary and multi-fidelity optimization framework developed at Bombardier Aviation has shown great results to explore efficient and competitive aircraft configurations. This optimization framework has been developed within the Isight software, the latter offers a set of ready-to-use optimizers. Unfortunately, the computational effort required by the Isight optimizers can be prohibitive with respect to the requirements of an industrial context. In this paper, a constrained Bayesian optimization optimizer, namely the super efficient global optimization with mixture of experts, is used to reduce the optimization computational effort. The obtained results showed significant improvements compared to two of the popular Isight optimizers. The capabilities of the tested constrained Bayesian optimization solver are demonstrated on Bombardier research aircraft configuration study cases.

Rémy Priem, Nathalie Bartoli, Youssef Diouane et al.

Bayesian optimization methods have been successfully applied to black box optimization problems that are expensive to evaluate. In this paper, we adapt the so-called super effcient global optimization algorithm to solve more accurately mixed constrained problems. The proposed approach handles constraints by means of upper trust bound, the latter encourages exploration of the feasible domain by combining the mean prediction and the associated uncertainty function given by the Gaussian processes. On top of that, a refinement procedure, based on a learning rate criterion, is introduced to enhance the exploitation and exploration trade-off. We show the good potential of the approach on a set of numerical experiments. Finally, we present an application to conceptual aircraft configuration upon which we show the superiority of the proposed approach compared to a set of the state-of-the-art black box optimization solvers. Keywords: Global Optimization, Mixed Constrained Optimization, Black box optimization, Bayesian Optimization, Gaussian Process.