Luis Nunes Vicente

Tommaso Giovannelli, Oumaima Sohab, Luis Nunes Vicente

We are interested in assessing the use of neural networks as surrogate models to approximate and minimize objective functions in optimization problems. While neural networks are widely used for machine learning tasks such as classification and regression, their application in solving optimization problems has been limited. Our study begins by determining the best activation function for approximating the objective functions of popular nonlinear optimization test problems, and the evidence provided shows that~SiLU has the best performance. We then analyze the accuracy of function value, gradient, and Hessian approximations for such objective functions obtained through interpolation/regression models and neural networks. When compared to interpolation/regression models, neural networks can deliver competitive zero- and first-order approximations (at a high training cost) but underperform on second-order approximation. However, it is shown that combining a neural net activation function with the natural basis for quadratic interpolation/regression can waive the necessity of including cross terms in the natural basis, leading to models with fewer parameters to determine. Lastly, we provide evidence that the performance of a state-of-the-art derivative-free optimization algorithm can hardly be improved when the gradient of an objective function is approximated using any of the surrogate models considered, including neural networks.

Tommaso Giovannelli, Jingfu Tan, Luis Nunes Vicente

In this paper, we develop a stochastic set-valued optimization (SVO) framework tailored for robust machine learning. In the SVO setting, each decision variable is mapped to a set of objective values, and optimality is defined via set relations. We focus on SVO problems with hyperbox sets, which can be reformulated as multi-objective optimization (MOO) problems with finitely many objectives and serve as a foundation for representing or approximating more general mapped sets. Two special cases of hyperbox-valued optimization (HVO) are interval-valued (IVO) and rectangle-valued (RVO) optimization. We construct stochastic IVO/RVO formulations that incorporate subquantiles and superquantiles into the objective functions of the MOO reformulations, providing a new characterization for subquantiles. These formulations provide interpretable trade-offs by capturing both lower- and upper-tail behaviors of loss distributions, thereby going beyond standard empirical risk minimization and classical robust models. To solve the resulting multi-objective problems, we adopt stochastic multi-gradient algorithms and select a Pareto knee solution. In numerical experiments, the proposed algorithms with this selection strategy exhibit improved robustness and reduced variability across test replications under distributional shift compared with empirical risk minimization, while maintaining competitive accuracy.

Tommaso Giovannelli, Griffin Dean Kent, Luis Nunes Vicente

With the success that the field of bilevel optimization has seen in recent years, similar methodologies have started being applied to solving more difficult applications that arise in trilevel optimization. At the helm of these applications are new machine learning formulations that have been proposed in the trilevel context and, as a result, efficient and theoretically sound stochastic methods are required. In this work, we propose the first-ever stochastic gradient descent method for solving unconstrained trilevel optimization problems and provide a convergence theory that covers all forms of inexactness of the trilevel adjoint gradient, such as the inexact solutions of the middle-level and lower-level problems, inexact computation of the trilevel adjoint formula, and noisy estimates of the gradients, Hessians, Jacobians, and tensors of third-order derivatives involved. We also demonstrate the promise of our approach by providing numerical results on both synthetic trilevel problems and trilevel formulations for hyperparameter adversarial tuning.

Tommaso Giovannelli, Griffin Dean Kent, Luis Nunes Vicente

Two-level stochastic optimization formulations have become instrumental in a number of machine learning contexts such as continual learning, neural architecture search, adversarial learning, and hyperparameter tuning. Practical stochastic bilevel optimization problems become challenging in optimization or learning scenarios where the number of variables is high or there are constraints. In this paper, we introduce a bilevel stochastic gradient method for bilevel problems with nonlinear and possibly nonconvex lower-level constraints. We also present a comprehensive convergence theory that addresses both the lower-level unconstrained and constrained cases and covers all inexact calculations of the adjoint gradient (also called hypergradient), such as the inexact solution of the lower-level problem, inexact computation of the adjoint formula (due to the inexact solution of the adjoint equation or use of a truncated Neumann series), and noisy estimates of the gradients, Hessians, and Jacobians involved. To promote the use of bilevel optimization in large-scale learning, we have developed new low-rank practical bilevel stochastic gradient methods (BSG-N-FD and~BSG-1) that do not require second-order derivatives and, in the lower-level unconstrained case, dismiss any matrix-vector products.

Suyun Liu, Luis Nunes Vicente

In machine learning (ML) applications, unfair predictions may discriminate against a minority group. Most existing approaches for fair machine learning (FML) treat fairness as a constraint or a penalization term in the optimization of a ML model, which does not lead to the discovery of the complete landscape of the trade-offs among learning accuracy and fairness metrics, and does not integrate fairness in a meaningful way. Recently, we have introduced a new paradigm for FML based on Stochastic Multi-Objective Optimization (SMOO), where accuracy and fairness metrics stand as conflicting objectives to be optimized simultaneously. The entire trade-offs range is defined as the Pareto front of the SMOO problem, which can then be efficiently computed using stochastic-gradient type algorithms. SMOO also allows defining and computing new meaningful predictors for FML, a novel one being the Sharpe predictor that we introduce and explore in this paper, and which gives the highest ratio of accuracy-to-unfairness. Inspired from SMOO in finance, the Sharpe predictor for FML provides the highest prediction return (accuracy) per unit of prediction risk (unfairness).

Suyun Liu, Luis Nunes Vicente

In the application of data clustering to human-centric decision-making systems, such as loan applications and advertisement recommendations, the clustering outcome might discriminate against people across different demographic groups, leading to unfairness. A natural conflict occurs between the cost of clustering (in terms of distance to cluster centers) and the balance representation of all demographic groups across the clusters, leading to a bi-objective optimization problem that is nonconvex and nonsmooth. To determine the complete trade-off between these two competing goals, we design a novel stochastic alternating balance fair $k$-means (SAfairKM) algorithm, which consists of alternating classical mini-batch $k$-means updates and group swap updates. The number of $k$-means updates and the number of swap updates essentially parameterize the weight put on optimizing each objective function. Our numerical experiments show that the proposed SAfairKM algorithm is robust and computationally efficient in constructing well-spread and high-quality Pareto fronts both on synthetic and real datasets.

Suyun Liu, Luis Nunes Vicente

In the application of machine learning to real-life decision-making systems, e.g., credit scoring and criminal justice, the prediction outcomes might discriminate against people with sensitive attributes, leading to unfairness. The commonly used strategy in fair machine learning is to include fairness as a constraint or a penalization term in the minimization of the prediction loss, which ultimately limits the information given to decision-makers. In this paper, we introduce a new approach to handle fairness by formulating a stochastic multi-objective optimization problem for which the corresponding Pareto fronts uniquely and comprehensively define the accuracy-fairness trade-offs. We have then applied a stochastic approximation-type method to efficiently obtain well-spread and accurate Pareto fronts, and by doing so we can handle training data arriving in a streaming way.

Suyun Liu, Luis Nunes Vicente

Optimization of conflicting functions is of paramount importance in decision making, and real world applications frequently involve data that is uncertain or unknown, resulting in multi-objective optimization (MOO) problems of stochastic type. We study the stochastic multi-gradient (SMG) method, seen as an extension of the classical stochastic gradient method for single-objective optimization. At each iteration of the SMG method, a stochastic multi-gradient direction is calculated by solving a quadratic subproblem, and it is shown that this direction is biased even when all individual gradient estimators are unbiased. We establish rates to compute a point in the Pareto front, of order similar to what is known for stochastic gradient in both convex and strongly convex cases. The analysis handles the bias in the multi-gradient and the unknown a priori weights of the limiting Pareto point. The SMG method is framed into a Pareto-front type algorithm for the computation of the entire Pareto front. The Pareto-front SMG algorithm is capable of robustly determining Pareto fronts for a number of synthetic test problems. One can apply it to any stochastic MOO problem arising from supervised machine learning, and we report results for logistic binary classification where multiple objectives correspond to distinct-sources data groups.