Senne Berden

Jayanta Mandi, James Kotary, Senne Berden et al.

Decision-focused learning (DFL) is an emerging paradigm that integrates machine learning (ML) and constrained optimization to enhance decision quality by training ML models in an end-to-end system. This approach shows significant potential to revolutionize combinatorial decision-making in real-world applications that operate under uncertainty, where estimating unknown parameters within decision models is a major challenge. This paper presents a comprehensive review of DFL, providing an in-depth analysis of both gradient-based and gradient-free techniques used to combine ML and constrained optimization. It evaluates the strengths and limitations of these techniques and includes an extensive empirical evaluation of eleven methods across seven problems. The survey also offers insights into recent advancements and future research directions in DFL. Code and benchmark: https://github.com/PredOpt/predopt-benchmarks

Mattia Silvestri, Senne Berden, Jayanta Mandi et al.

Many real-world optimization problems contain parameters that are unknown before deployment time, either due to stochasticity or to lack of information (e.g., demand or travel times in delivery problems). A common strategy in such cases is to estimate said parameters via machine learning (ML) models trained to minimize the prediction error, which however is not necessarily aligned with the downstream task-level error. The decision-focused learning (DFL) paradigm overcomes this limitation by training to directly minimize a task loss, e.g. regret. Since the latter has non-informative gradients for combinatorial problems, state-of-the-art DFL methods introduce surrogates and approximations that enable training. But these methods exploit specific assumptions about the problem structures (e.g., convex or linear problems, unknown parameters only in the objective function). We propose an alternative method that makes no such assumptions, it combines stochastic smoothing with score function gradient estimation which works on any task loss. This opens up the use of DFL methods to nonlinear objectives, uncertain parameters in the problem constraints, and even two-stage stochastic optimization. Experiments show that it typically requires more epochs, but that it is on par with specialized methods and performs especially well for the difficult case of problems with uncertainty in the constraints, in terms of solution quality, scalability, or both.

Dimos Tsouros, Senne Berden, Tias Guns

Constraint Acquisition (CA) systems can be used to assist in the modeling of constraint satisfaction problems. In (inter)active CA, the system is given a set of candidate constraints and posts queries to the user with the goal of finding the right constraints among the candidates. Current interactive CA algorithms suffer from at least two major bottlenecks. First, in order to converge, they require a large number of queries to be asked to the user. Second, they cannot handle large sets of candidate constraints, since these lead to large waiting times for the user. For this reason, the user must have fairly precise knowledge about what constraints the system should consider. In this paper, we alleviate these bottlenecks by presenting two novel methods that improve the efficiency of CA. First, we introduce a bottom-up approach named GrowAcq that reduces the maximum waiting time for the user and allows the system to handle much larger sets of candidate constraints. It also reduces the total number of queries for problems in which the target constraint network is not sparse. Second, we propose a probability-based method to guide query generation and show that it can significantly reduce the number of queries required to converge. We also propose a new technique that allows the use of openly accessible CP solvers in query generation, removing the dependency of existing methods on less well-maintained custom solvers that are not publicly available. Experimental results show that our proposed methods outperform state-of-the-art CA methods, reducing the number of queries by up to 60%. Our methods work well even in cases where the set of candidate constraints is 50 times larger than the ones commonly used in the literature.

Noah Schutte, Senne Berden, Tias Guns et al.

Many real-world combinatorial problems involve uncertain parameters, which can be predicted given contextual features and historical data. These `predict-then-optimize' or `contextual optimization' problems have gained significant attention: end-to-end training methods can now minimize the downstream task cost rather than the predictive error. However, despite their effectiveness, these decision-focused learning (DFL) approaches often rely on repeated solving of the underlying combinatorial optimization problem during training, making them computationally expensive and difficult to scale. We reframe the learning problem as a cost-sensitive multi-output regression problem: multi-output due to the combinatorial problem having multiple uncertain parameters, and cost-sensitive due to the downstream task cost being the real target. Our technical contribution is the formalization of multiple loss function components that follow from this reframing: cost-insensitive normalization, decision-aware asymmetric penalization of over- and underpredictions, and instance-based costs that mimic the true downstream task-based loss locally. These components require zero or one solve per training data instance, while requiring no further solves during training. Experiments show that the combination of loss components achieves comparable downstream task quality to the state of the art, while being significantly more efficient, enabling scaling to problem sizes that have not been tackled before with DFL.

Dimos Tsouros, Senne Berden, Tias Guns

Constraint Programming (CP) has been successfully used to model and solve complex combinatorial problems. However, modeling is often not trivial and requires expertise, which is a bottleneck to wider adoption. In Constraint Acquisition (CA), the goal is to assist the user by automatically learning the model. In (inter)active CA, this is done by interactively posting queries to the user, e.g., asking whether a partial solution satisfies their (unspecified) constraints or not. While interac tive CA methods learn the constraints, the learning is related to symbolic concept learning, as the goal is to learn an exact representation. However, a large number of queries is still required to learn the model, which is a major limitation. In this paper, we aim to alleviate this limitation by tightening the connection of CA and Machine Learning (ML), by, for the first time in interactive CA, exploiting statistical ML methods. We propose to use probabilistic classification models to guide interactive CA to generate more promising queries. We discuss how to train classifiers to predict whether a candidate expression from the bias is a constraint of the problem or not, using both relation-based and scope-based features. We then show how the predictions can be used in all layers of interactive CA: the query generation, the scope finding, and the lowest-level constraint finding. We experimentally evaluate our proposed methods using different classifiers and show that our methods greatly outperform the state of the art, decreasing the number of queries needed to converge by up to 72%.

Senne Berden, Ali İrfan Mahmutoğulları, Dimos Tsouros et al.

Mathematical optimization is a fundamental tool for decision-making in a wide range of applications. However, in many real-world scenarios, the parameters of the optimization problem are not known a priori and must be predicted from contextual features. This gives rise to predict-then-optimize problems, where a machine learning model predicts problem parameters that are then used to make decisions via optimization. A growing body of work on decision-focused learning (DFL) addresses this setting by training models specifically to produce predictions that maximize downstream decision quality, rather than accuracy. While effective, DFL is computationally expensive, because it requires solving the optimization problem with the predicted parameters at each loss evaluation. In this work, we address this computational bottleneck for linear optimization problems, a common class of problems in both DFL literature and real-world applications. We propose a solver-free training method that exploits the geometric structure of linear optimization to enable efficient training with minimal degradation in solution quality. Our method is based on the insight that a solution is optimal if and only if it achieves an objective value that is at least as good as that of its adjacent vertices on the feasible polytope. Building on this, our method compares the estimated quality of the ground-truth optimal solution with that of its precomputed adjacent vertices, and uses this as loss function. Experiments demonstrate that our method significantly reduces computational cost while maintaining high decision quality.

Dimos Tsouros, Senne Berden, Steven Prestwich et al.

Constraint Acquisition (CA) aims to widen the use of constraint programming by assisting users in the modeling process. However, most CA methods suffer from a significant drawback: they learn a single set of individual constraints for a specific problem instance, but cannot generalize these constraints to the parameterized constraint specifications of the problem. In this paper, we address this limitation by proposing GenCon, a novel approach to learn parameterized constraint models capable of modeling varying instances of the same problem. To achieve this generalization, we make use of statistical learning techniques at the level of individual constraints. Specifically, we propose to train a classifier to predict, for any possible constraint and parameterization, whether the constraint belongs to the problem. We then show how, for some classes of classifiers, we can extract decision rules to construct interpretable constraint specifications. This enables the generation of ground constraints for any parameter instantiation. Additionally, we present a generate-and-test approach that can be used with any classifier, to generate the ground constraints on the fly. Our empirical results demonstrate that our approach achieves high accuracy and is robust to noise in the input instances.

Jayanta Mandi, Marianne Defresne, Senne Berden et al.

When some parameters of a constrained optimization problem (COP) are uncertain, this gives rise to a predict-then-optimize (PtO) problem, comprising two stages: the prediction of the unknown parameters from contextual information and the subsequent optimization using those predicted parameters. Decision-focused learning (DFL) implements the first stage by training a machine learning (ML) model to optimize the quality of the decisions made using the predicted parameters. When the predicted parameters occur in the constraints, they can lead to infeasible solutions. Therefore, it is important to simultaneously manage both feasibility and decision quality. We develop a DFL framework for predicting constraint parameters in a generic COP. While prior works typically assume that the underlying optimization problem is a linear program (LP) or integer LP (ILP), our approach makes no such assumption. We derive two novel loss functions based on maximum likelihood estimation (MLE): the first one penalizes infeasibility (by penalizing predicted parameters that lead to infeasible solutions), while the second one penalizes suboptimal decisions (by penalizing predicted parameters that make the true optimal solution infeasible). We introduce a single tunable parameter to form a weighted average of the two losses, allowing decision-makers to balance suboptimality and feasibility. We experimentally demonstrate that adjusting this parameter provides decision-makers control over this trade-off. Moreover, across several COP instances, we show that adjusting the tunable parameter allows a decision-maker to prioritize either suboptimality or feasibility, outperforming the performance of existing baselines in either objective.

Jayanta Mandi, Ali İrfan Mahmutoğulları, Senne Berden et al.

Decision-focused learning (DFL) trains a machine learning (ML) model to predict parameters of an optimization problem, to directly minimize decision regret, i.e., maximize decision quality. Gradient-based DFL requires computing the derivative of the solution to the optimization problem with respect to the predicted parameters. However, for many optimization problems, such as linear programs (LPs), the gradient of the regret with respect to the predicted parameters is zero almost everywhere. Existing gradient-based DFL approaches for LPs try to circumvent this issue in one of two ways: (a) smoothing the LP into a differentiable optimization problem by adding a quadratic regularizer and then minimizing the regret directly or (b) minimizing surrogate losses that have informative (sub)gradients. In this paper, we show that the former approach still results in zero gradients, because even after smoothing the regret remains constant across large regions of the parameter space. To address this, we propose minimizing surrogate losses -- even when a differentiable optimization layer is used and regret can be minimized directly. Our experiments demonstrate that minimizing surrogate losses allows differentiable optimization layers to achieve regret comparable to or better than surrogate-loss based DFL methods. Further, we demonstrate that this also holds for DYS-Net, a recently proposed differentiable optimization technique for LPs, that computes approximate solutions and gradients through operations that can be performed using feedforward neural network layers. Because DYS-Net executes the forward and the backward pass very efficiently, by minimizing surrogate losses using DYS-Net, we are able to attain regret on par with the state-of-the-art while reducing training time by a significant margin.