Axel Parmentier

Guillaume Dalle, Léo Baty, Louis Bouvier et al.

Combinatorial optimization (CO) layers in machine learning (ML) pipelines are a powerful tool to tackle data-driven decision tasks, but they come with two main challenges. First, the solution of a CO problem often behaves as a piecewise constant function of its objective parameters. Given that ML pipelines are typically trained using stochastic gradient descent, the absence of slope information is very detrimental. Second, standard ML losses do not work well in combinatorial settings. A growing body of research addresses these challenges through diverse methods. Unfortunately, the lack of well-maintained implementations slows down the adoption of CO layers. In this paper, building upon previous works, we introduce a probabilistic perspective on CO layers, which lends itself naturally to approximate differentiation and the construction of structured losses. We recover many approaches from the literature as special cases, and we also derive new ones. Based on this unifying perspective, we present InferOpt.jl, an open-source Julia package that 1) allows turning any CO oracle with a linear objective into a differentiable layer, and 2) defines adequate losses to train pipelines containing such layers. Our library works with arbitrary optimization algorithms, and it is fully compatible with Julia's ML ecosystem. We demonstrate its abilities using a pathfinding problem on video game maps as guiding example, as well as three other applications from operations research.

Germain Vivier-Ardisson, Laurent Demonet, Axel Parmentier et al.

Operations research practitioners typically tackle NP-hard combinatorial problems using large neighborhood search (LNS), a scalable heuristic that iteratively refines a current solution by locally re-optimizing subsets of its variables. In contrast, most existing approaches for integrating combinatorial optimization layers into neural networks still assume access to an exact global solution, which is computationally intractable. We bridge this gap by introducing regularized LNS (RLNS). By regularizing or perturbing local subproblems, we turn the LNS heuristic into an efficient MCMC sampler over the combinatorial set of feasible solutions, with associated Fenchel-Young losses. Under entropic regularization, we prove that RLNS performs exact block Gibbs sampling. Furthermore, adjusting the number of RLNS iterations allows us to interpolate between pseudolikelihood and exact maximum likelihood estimation, for end-to-end learning without global solvers. We demonstrate our approach on $k$-subset selection, generalized assignment, and stochastic vehicle scheduling problems.

Kai Jungel, Axel Parmentier, Maximilian Schiffer et al.

Autonomous mobility-on-demand systems are a viable alternative to mitigate many transportation-related externalities in cities, such as rising vehicle volumes in urban areas and transportation-related pollution. However, the success of these systems heavily depends on efficient and effective fleet control strategies. In this context, we study online control algorithms for autonomous mobility-on-demand systems and develop a novel hybrid combinatorial optimization enriched machine learning pipeline which learns online dispatching and rebalancing policies from optimal full-information solutions. We test our hybrid pipeline on large-scale real-world scenarios with different vehicle fleet sizes and various request densities. We show that our approach outperforms state-of-the-art greedy, and model-predictive control approaches with respect to various KPIs, e.g., by up to 17.1% and on average by 6.3% in terms of realized profit.

Alexandre Forel, Axel Parmentier, Thibaut Vidal

Data-driven optimization uses contextual information and machine learning algorithms to find solutions to decision problems with uncertain parameters. While a vast body of work is dedicated to interpreting machine learning models in the classification setting, explaining decision pipelines involving learning algorithms remains unaddressed. This lack of interpretability can block the adoption of data-driven solutions as practitioners may not understand or trust the recommended decisions. We bridge this gap by introducing a counterfactual explanation methodology tailored to explain solutions to data-driven problems. We introduce two classes of explanations and develop methods to find nearest explanations of random forest and nearest-neighbor predictors. We demonstrate our approach by explaining key problems in operations management such as inventory management and routing.

Alexandre Forel, Axel Parmentier, Thibaut Vidal

Counterfactual explanations describe how to modify a feature vector in order to flip the outcome of a trained classifier. Obtaining robust counterfactual explanations is essential to provide valid algorithmic recourse and meaningful explanations. We study the robustness of explanations of randomized ensembles, which are always subject to algorithmic uncertainty even when the training data is fixed. We formalize the generation of robust counterfactual explanations as a probabilistic problem and show the link between the robustness of ensemble models and the robustness of base learners. We develop a practical method with good empirical performance and support it with theoretical guarantees for ensembles of convex base learners. Our results show that existing methods give surprisingly low robustness: the validity of naive counterfactuals is below $50\%$ on most data sets and can fall to $20\%$ on problems with many features. In contrast, our method achieves high robustness with only a small increase in the distance from counterfactual explanations to their initial observations.

Pierre-Cyril Aubin-Frankowski, Yohann De Castro, Axel Parmentier et al.

A recent line of structured learning methods has advanced the practical state-of-the-art for combinatorial optimization problems with complex, application-specific objectives. These approaches learn policies that couple a statistical model with a tractable surrogate combinatorial optimization oracle, so as to exploit the distribution of problem instances instead of solving each instance independently. A core obstacle is that the empirical risk is then piecewise constant in the model parameters. This hinders gradient-based optimization and only few theoretical guarantees have been provided so far. We address this issue by analyzing smoothed (perturbed) policies: adding controlled random perturbations to the direction used by the linear oracle yields a differentiable surrogate risk and improves generalization. Our main contribution is a generalization bound that decomposes the excess risk into perturbation bias, statistical estimation error, and optimization error. The analysis hinges on a new Uniform Weak (UW) property capturing the geometric interaction between the statistical model and the normal fan of the feasible polytope; we show it holds under mild assumptions, and automatically when a minimal baseline perturbation is present. The framework covers, in particular, contextual stochastic optimization. We illustrate the scope of the results on applications such as stochastic vehicle scheduling, highlighting how smoothing enables both tractable training and controlled generalization.

Germain Vivier-Ardisson, Michaël E. Sander, Axel Parmentier et al.

Knapsack and Top-k operators are useful for selecting discrete subsets of variables. However, their integration into neural networks is challenging as they are piecewise constant, yielding gradients that are zero almost everywhere. In this paper, we propose a unified framework casting these operators as dynamic programs, and derive differentiable relaxations by smoothing the underlying recursions. On the algorithmic side, we develop efficient parallel algorithms supporting both deterministic and stochastic forward passes, and vector-Jacobian products for the backward pass. On the theoretical side, we prove that Shannon entropy is the unique regularization choice yielding permutation-equivariant operators, and characterize regularizers inducing sparse selections. Finally, on the experimental side, we demonstrate our framework on a decision-focused learning benchmark, a constrained dynamic assortment RL problem, and an extension of discrete VAEs.

Maximilian Schiffer, Heiko Hoppe, Yue Su et al.

Combinatorial optimization augmented machine learning (COAML) has recently emerged as a powerful paradigm for integrating predictive models with combinatorial decision-making. By embedding combinatorial optimization oracles into learning pipelines, COAML enables the construction of policies that are both data-driven and feasibility-preserving, bridging the traditions of machine learning, operations research, and stochastic optimization. This paper provides a comprehensive overview of the state of the art in COAML. We introduce a unifying framework for COAML pipelines, describe their methodological building blocks, and formalize their connection to empirical cost minimization. We then develop a taxonomy of problem settings based on the form of uncertainty and decision structure. Using this taxonomy, we review algorithmic approaches for static and dynamic problems, survey applications across domains such as scheduling, vehicle routing, stochastic programming, and reinforcement learning, and synthesize methodological contributions in terms of empirical cost minimization, imitation learning, and reinforcement learning. Finally, we identify key research frontiers. This survey aims to serve both as a tutorial introduction to the field and as a roadmap for future research at the interface of combinatorial optimization and machine learning.

Francesco Demelas, Joseph Le Roux, Mathieu Lacroix et al.

Lagrangian relaxation stands among the most efficient approaches for solving a Mixed Integer Linear Programs (MILP) with difficult constraints. Given any duals for these constraints, called Lagrangian Multipliers (LMs), it returns a bound on the optimal value of the MILP, and Lagrangian methods seek the LMs giving the best such bound. But these methods generally rely on iterative algorithms resembling gradient descent to maximize the concave piecewise linear dual function: the computational burden grows quickly with the number of relaxed constraints. We introduce a deep learning approach that bypasses the descent, effectively amortizing the local, per instance, optimization. A probabilistic encoder based on a graph convolutional network computes high-dimensional representations of relaxed constraints in MILP instances. A decoder then turns these representations into LMs. We train the encoder and decoder jointly by directly optimizing the bound obtained from the predicted multipliers. Numerical experiments show that our approach closes up to 85~\% of the gap between the continuous relaxation and the best Lagrangian bound, and provides a high quality warm-start for descent based Lagrangian methods.

Louis Bouvier, Thibault Prunet, Vincent Leclère et al.

This paper introduces a novel approach to contextual stochastic optimization, integrating operations research and machine learning to address decision-making under uncertainty. Traditional methods often fail to leverage contextual information, which underscores the necessity for new algorithms. In this study, we utilize neural networks with combinatorial optimization layers to encode policies. Our goal is to minimize the empirical risk, which is estimated from past data on uncertain parameters and contexts. To that end, we present a surrogate learning problem and a generic primal-dual algorithm that is applicable to various combinatorial settings in stochastic optimization. Our approach extends classic Fenchel-Young loss results and introduces a new regularization method using sparse perturbations on the distribution simplex. This allows for tractable updates in the original space and can accommodate diverse objective functions. We demonstrate the linear convergence of our algorithm under certain conditions and provide a bound on the non-optimality of the resulting policy in terms of the empirical risk. Experiments on a contextual stochastic minimum weight spanning tree problem show that our algorithm is efficient and scalable, achieving performance comparable to imitation learning of solutions computed using an expensive Lagrangian-based heuristic.

Heiko Hoppe, Léo Baty, Louis Bouvier et al.

Reinforcement learning (RL) is increasingly applied to real-world problems involving complex and structured decisions, such as routing, scheduling, and assortment planning. These settings challenge standard RL algorithms, which struggle to scale, generalize, and exploit structure in the presence of combinatorial action spaces. We propose Structured Reinforcement Learning (SRL), a novel actor-critic paradigm that embeds combinatorial optimization-layers into the actor neural network. We enable end-to-end learning of the actor via Fenchel-Young losses and provide a geometric interpretation of SRL as a primal-dual algorithm in the dual of the moment polytope. Across six environments with exogenous and endogenous uncertainty, SRL matches or surpasses the performance of unstructured RL and imitation learning on static tasks and improves over these baselines by up to 92% on dynamic problems, with improved stability and convergence speed.

Cheikh Ahmed, Alexandre Forel, Axel Parmentier et al.

Districting is a complex combinatorial problem that consists in partitioning a geographical area into small districts. In logistics, it is a major strategic decision determining operating costs for several years. Solving districting problems using traditional methods is intractable even for small geographical areas and existing heuristics often provide sub-optimal results. We present a structured learning approach to find high-quality solutions to real-world districting problems in a few minutes. It is based on integrating a combinatorial optimization layer, the capacitated minimum spanning tree problem, into a graph neural network architecture. To train this pipeline in a decision-aware fashion, we show how to construct target solutions embedded in a suitable space and learn from target solutions. Experiments show that our approach outperforms existing methods as it can significantly reduce costs on real-world cities.

Germain Vivier-Ardisson, Mathieu Blondel, Axel Parmentier

Integrating combinatorial optimization layers into neural networks has recently attracted significant research interest. However, many existing approaches lack theoretical guarantees or fail to perform adequately when relying on inexact solvers. This is a critical limitation, as many operations research problems are NP-hard, often necessitating the use of neighborhood-based local search heuristics. These heuristics iteratively generate and evaluate candidate solutions based on an acceptance rule. In this paper, we introduce a theoretically-principled approach for learning with such inexact combinatorial solvers. Inspired by the connection between simulated annealing and Metropolis-Hastings, we propose to transform problem-specific neighborhood systems used in local search heuristics into proposal distributions, implementing MCMC on the combinatorial space of feasible solutions. This allows us to construct differentiable combinatorial layers and associated loss functions. Replacing an exact solver by a local search strongly reduces the computational burden of learning on many applications. We demonstrate our approach on a large-scale dynamic vehicle routing problem with time windows.

Georgina Nouli, Axel Parmentier, Maximilian Schiffer

Crowdsourced on-demand services offer benefits such as reduced costs, faster service fulfillment times, greater adaptability, and contributions to sustainable urban transportation in on-demand delivery contexts. However, the success of an on-demand platform that utilizes crowdsourcing relies on finding a compensation policy that strikes a balance between creating attractive offers for gig workers and ensuring profitability. In this work, we examine a dynamic pricing problem for an on-demand platform that sets request-specific compensation of gig workers in a discrete-time framework, where requests and workers arrive stochastically. The operator's goal is to determine a compensation policy that maximizes the total expected reward over the time horizon. Our approach introduces compensation strategies that explicitly account for gig worker request preferences. To achieve this, we employ the Multinomial Logit model to represent the acceptance probabilities of gig workers, and, as a result, derive an analytical solution that utilizes post-decision states. Subsequently, we integrate this solution into an approximate dynamic programming algorithm. We compare our algorithm against benchmark algorithms, including formula-based policies and an upper bound provided by the full information linear programming solution. Our algorithm demonstrates consistent performance across diverse settings, achieving improvements of at least 2.5-7.5% in homogeneous gig worker populations and 9% in heterogeneous populations over benchmarks, based on fully synthetic data. For real-world data, it surpasses benchmarks by 8% in weak and 20% in strong location preference scenarios.

Axel Parmentier

Machine learning pipelines that include a combinatorial optimization layer can give surprisingly efficient heuristics for difficult combinatorial optimization problems. Three questions remain open: which architecture should be used, how should the parameters of the machine learning model be learned, and what performance guarantees can we expect from the resulting algorithms? Following the intuitions of geometric deep learning, we explain why equivariant layers should be used when designing such pipelines, and illustrate how to build such layers on routing, scheduling, and network design applications. We introduce a learning approach that enables to learn such pipelines when the training set contains only instances of the difficult optimization problem and not their optimal solutions, and show its numerical performance on our three applications. Finally, using tools from statistical learning theory, we prove a theorem showing the convergence speed of the estimator. As a corollary, we obtain that, if an approximation algorithm can be encoded by the pipeline for some parametrization, then the learned pipeline will retain the approximation ratio guarantee. On our network design problem, our machine learning pipeline has the approximation ratio guarantee of the best approximation algorithm known and the numerical efficiency of the best heuristic.

Axel Parmentier, Thibaut Vidal

Counterfactual explanations are usually generated through heuristics that are sensitive to the search's initial conditions. The absence of guarantees of performance and robustness hinders trustworthiness. In this paper, we take a disciplined approach towards counterfactual explanations for tree ensembles. We advocate for a model-based search aiming at "optimal" explanations and propose efficient mixed-integer programming approaches. We show that isolation forests can be modeled within our framework to focus the search on plausible explanations with a low outlier score. We provide comprehensive coverage of additional constraints that model important objectives, heterogeneous data types, structural constraints on the feature space, along with resource and actionability restrictions. Our experimental analyses demonstrate that the proposed search approach requires a computational effort that is orders of magnitude smaller than previous mathematical programming algorithms. It scales up to large data sets and tree ensembles, where it provides, within seconds, systematic explanations grounded on well-defined models solved to optimality.

Axel Parmentier, Vincent T'Kindt

In this paper, we focus on the solution of a hard single machine scheduling problem by new heuristic algorithms embedding techniques from machine learning field and scheduling theory. These heuristics transform an instance of the hard problem into an instance of a simpler one solved to optimality. The obtained schedule is then transposed to the original problem. Computational experiments show that they are competitive with state-of-the-art heuristics, notably on large instances.