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In this paper, we extend the notions of $\lambda$-cent-dian and generalized-center from Facility Location Theory to the more intricate domain of Network Design. Our focus is on the task of designing a sub-network within a given underlying network while adhering to a budget constraint. This sub-network is intended to efficiently serve a collection of origin/destination pairs of demand. % rather than individual points. The $\lambda$-cent-dian problem studies the balance between efficiency and equity. We investigate the properties of the $\lambda$-cent-dian and generalized-center solution networks under the lens of equity, efficiency, and Pareto-optimality. We provide a mathematical formulation for $\lambda\geq 0$ and discuss the bilevel structure of this problem for $\lambda>1$. Furthermore, we describe a procedure to obtain a complete parametrization of the Pareto-optimality set based on solving two mixed integer linear formulations by introducing the concept of maximum $\lambda$-cent-dian. We evaluate the quality of the different solution concepts using some inequality measures. Finally, for $\lambda\in[0,1]$, we study the implementation of a Benders decomposition method to solve it at scale.

Dealing with uncertainty in optimization parameters is an important and longstanding challenge. Typically, uncertain parameters are predicted accurately, and then a deterministic optimization problem is solved. However, the decisions produced by this so-called \emph{predict-then-optimize} procedure can be highly sensitive to uncertain parameters. In this work, we contribute to recent efforts in producing \emph{decision-focused} predictions, i.e., to build predictive models that are constructed with the goal of minimizing a \emph{regret} measure on the decisions taken with them. We begin by formulating the exact expected regret minimization as a pessimistic bilevel optimization model. Then, we establish NP-completeness of this problem, even in a heavily restricted case. Using duality arguments, we reformulate it as a non-convex quadratic optimization problem. Finally, we show various computational techniques to achieve tractability. We report extensive computational results on shortest-path instances with uncertain cost vectors. Our results indicate that our approach can improve training performance over the approach of Elmachtoub and Grigas (2022), a state-of-the-art method for decision-focused learning., Comment: We state in this version that: "To the best of our knowledge, no hardness result for computing a regret-minimizing linear regression in this context is known". However, in Elmachtoub and Grigas 2022, they show that this is clearly a generalization of the 0-1 loss, that is NP-hard

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, Comment: Experimental Survey and Benchmarking

We study the problem of learning the preferences of drivers and planners in the context of last mile delivery. Given a data set containing historical decisions and delivery locations, the goal is to capture the implicit preferences of the decision-makers. We consider two ways to use the historical data: one is through a probability estimation method that learns transition probabilities between stops (or zones). This is a fast and accurate method, recently studied in a VRP setting. Furthermore, we explore the use of machine learning to infer how to best balance multiple objectives such as distance, probability and penalties. Specifically, we cast the learning problem as a structured output prediction problem, where training is done by repeatedly calling the TSP solver. Another important aspect we consider is that for last-mile delivery, every address is a potential client and hence the data is very sparse. Hence, we propose a two-stage approach that first learns preferences at the zone level in order to compute a zone routing; after which a penalty-based TSP computes the stop routing. Results show that the zone transition probability estimation performs well, and that the structured output prediction learning can improve the results further. We hence showcase a successful combination of both probability estimation and machine learning, all the while using standard TSP solvers, both during learning and to compute the final solution; this means the methodology is applicable to other, real-life, TSP variants, or proprietary solvers.

In the last years decision-focused learning framework, also known as predict-and-optimize, have received increasing attention. In this setting, the predictions of a machine learning model are used as estimated cost coefficients in the objective function of a discrete combinatorial optimization problem for decision making. Decision-focused learning proposes to train the ML models, often neural network models, by directly optimizing the quality of decisions made by the optimization solvers. Based on a recent work that proposed a noise contrastive estimation loss over a subset of the solution space, we observe that decision-focused learning can more generally be seen as a learning-to-rank problem, where the goal is to learn an objective function that ranks the feasible points correctly. This observation is independent of the optimization method used and of the form of the objective function. We develop pointwise, pairwise and listwise ranking loss functions, which can be differentiated in closed form given a subset of solutions. We empirically investigate the quality of our generic methods compared to existing decision-focused learning approaches with competitive results. Furthermore, controlling the subset of solutions allows controlling the runtime considerably, with limited effect on regret., Comment: Accepted for presentation at ICML, 2022

The traditional Capacitated Vehicle Routing Problem (CVRP) minimizes the total distance of the routes under the capacity constraints of the vehicles. But more often, the objective involves multiple criteria including not only the total distance of the tour but also other factors such as travel costs, travel time, and fuel consumption.Moreover, in reality, there are numerous implicit preferences ingrained in the minds of the route planners and the drivers. Drivers, for instance, have familiarity with certain neighborhoods and knowledge of the state of roads, and often consider the best places for rest and lunch breaks. This knowledge is difficult to formulate and balance when operational routing decisions have to be made. This motivates us to learn the implicit preferences from past solutions and to incorporate these learned preferences in the optimization process. These preferences are in the form of arc probabilities, i.e., the more preferred a route is, the higher is the joint probability. The novelty of this work is the use of a neural network model to estimate the arc probabilities, which allows for additional features and automatic parameter estimation. This first requires identifying suitable features, neural architectures and loss functions, taking into account that there is typically few data available. We investigate the difference with a prior weighted Markov counting approach, and study the applicability of neural networks in this setting.

We investigate a learning decision support system for vehicle routing, where the routing engine learns implicit preferences that human planners have when manually creating route plans (or routings). The goal is to use these learned subjective preferences on top of the distance-based objective criterion in vehicle routing systems. This is an alternative to the practice of distinctively formulating a custom VRP for every company with its own routing requirements. Instead, we assume the presence of past vehicle routing solutions over similar sets of customers, and learn to make similar choices. The learning approach is based on the concept of learning a Markov model, which corresponds to a probabilistic transition matrix, rather than a deterministic distance matrix. This nevertheless allows us to use existing arc routing VRP software in creating the actual routings, and to optimize over both distances and preferences at the same time. For the learning, we explore different schemes to construct the probabilistic transition matrix that can co-evolve with changing preferences over time. Our results on a use-case with a small transportation company show that our method is able to generate results that are close to the manually created solutions, without needing to characterize all constraints and sub-objectives explicitly. Even in the case of changes in the customer sets, our method is able to find solutions that are closer to the actual routings than when using only distances, and hence, solutions that require fewer manual changes when transformed into practical routings., Comment: arXiv admin note: text overlap with arXiv:1909.07893

This paper proposes a polynomial-time algorithm to construct the monotone stepwise curve that minimizes the sum of squared errors with respect to a given cloud of data points. The fitted curve is also constrained on the maximum number of steps it can be composed of and on the minimum step length. Our algorithm relies on dynamic programming and is built on the basis that said curve-fitting task can be tackled as a shortest-path type of problem. Numerical results on synthetic and realistic data sets reveal that our algorithm is able to provide the globally optimal monotone stepwise curve fit for samples with thousands of data points in less than a few hours. Furthermore, the algorithm gives a certificate on the optimality gap of any incumbent solution it generates. From a practical standpoint, this piece of research is motivated by the roll-out of smart grids and the increasing role played by the small flexible consumption of electricity in the large-scale integration of renewable energy sources into current power systems. Within this context, our algorithm constitutes an useful tool to generate bidding curves for a pool of small flexible consumers to partake in wholesale electricity markets., Comment: 30 pages, 7 figures

Many decision-making processes involve solving a combinatorial optimization problem with uncertain input that can be estimated from historic data. Recently, problems in this class have been successfully addressed via end-to-end learning approaches, which rely on solving one optimization problem for each training instance at every epoch. In this context, we provide two distinct contributions. First, we use a Noise Contrastive approach to motivate a family of surrogate loss functions, based on viewing non-optimal solutions as negative examples. Second, we address a major bottleneck of all predict-and-optimize approaches, i.e. the need to frequently recompute optimal solutions at training time. This is done via a solver-agnostic solution caching scheme, and by replacing optimization calls with a lookup in the solution cache. The method is formally based on an inner approximation of the feasible space and, combined with a cache lookup strategy, provides a controllable trade-off between training time and accuracy of the loss approximation. We empirically show that even a very slow growth rate is enough to match the quality of state-of-the-art methods, at a fraction of the computational cost., Comment: Accepted at IJCAI2021

We consider two covering variants of the network design problem. We are given a set of origin/destination pairs, called O/D pairs, and each such O/D pair is covered if there exists a path in the network from the origin to the destination whose length is not larger than a given threshold. In the first problem, called the Maximal Covering Network Design problem, one must determine a network that maximizes the total fulfilled demand of the covered O/D pairs subject to a budget constraint on the design costs of the network. In the second problem, called the Partial Covering Network Design problem, the design cost is minimized while a lower bound is set on the total demand covered. After presenting formulations, we develop a Benders decomposition approach to solve the problems. Further, we consider several stabilization methods to determine Benders cuts as well as the addition of cut-set inequalities to the master problem. We also consider the impact of adding an initial solution to our methods. Computational experiments show the efficiency of these different aspects.