Data-driven inverse optimization for mixed-integer linear programs (MILPs), which seeks to learn an objective function and constraints consistent with observed decisions, is important for building accurate mathematical models in a variety of domains, including power systems and scheduling. However, to the best of our knowledge, existing data-driven inverse optimization methods primarily focus on learning objective functions under known constraints, and learning both objective functions and constraints from data for MILPs remains largely unexplored. In this paper, we propose a two-stage approach for a class of inverse optimization problems in which the objective is a linear combination of given feature functions and the constraints are parameterized by unknown functions and thresholds. Our method first learns the constraints and then, conditioned on the learned constraints, estimates the objective-function weights. On the theoretical side, we provide finite-sample guarantees for solving the proposed inverse optimization problem. To this end, we develop statistical learning tools for pseudo-metric spaces under sub-Gaussian assumptions and use them to derive a learning-theoretic framework for inverse optimization with both unknown objectives and constraints. On the experimental side, we demonstrate that our method successfully solves inverse optimization problems on scheduling instances formulated as ILPs with up to 100 decision variables.
Figures & tables
Figure 1. Inputs and outputs of the DDIOP (schematic). Unknown parameters (objective-function coefficients and constraint parameters) are estimated so that the observed schedule x^ becomes an optimal solution.
Forward problem
C
O
References
MILP
✓
✓
Ours
MILP
✓
×
Kolb et al. (2017) , Kumar et al. (2019) , Suenaga et al. (2024)
MILP
×
✓
Bärmann et al. (2017) ; Bärmann et al. (2018) , Gollapudi et al. (2021) , Besbes et al. (2021) ; Besbes et al. (2025) , Kitaoka and Eto (2023a) ; Kitaoka (2024) , Zattoni Scroccaro et al. (2025) , Sakaue et al. (2025) , Elhedhli and Okur (2025) , Bulut and Ralphs (2021) , Kitaoka and Eto (2023b)
ILP
×
✓
Suzuki et al. (2019)
LP
✓
✓
Aswani et al. (2018)
LP
✓
×
Chan and Kaw (2020) , Ghobadi and Mahmoudzadeh (2021) , Ren et al. (2025)
Table 1. Summary comparison of inverse optimization methods with a guarantee that the parameters can be learned (C: capable of learning constraints; O: capable of learning objectives).
Figure 3Figure 4
Appendix figures & tables10 assets
Supplementary material from the paper’s appendix.
Appendix
Figure 5
D
Decision variables
Constraints
Mean (s)
Max (s)
Median (s)
4
16
40
0.125
0.391
0.089
5
25
65
0.313
0.737
0.322
6
36
96
2.245
6.492
1.627
7
49
133
3.314
11.830
2.296
8
64
176
62.761
237.787
51.446
9
81
225
194.870
1040.056
55.118
Appendix
Table 3. The time required to solve Equation 3.5 in Experiment 1.
Figure 7
D
4
5
6
7
Decision variables
16
25
36
49
Constraints
40
65
96
133
Mean (s)
1.04
6.16
9.24
63.00
Max (s)
3.79
28.44
43.05
202.19
Median (s)
0.33
3.62
6.42
44.81
Completion rate
100%
100%
100%
100%
Appendix
Table 4. The time required to solve Equation 3.5 in Experiment 2.
Figure 9Table 10Table 11Figure 12
N
Exact attainment (train)
ϕ recovery
Penalty term
Max term
ℓsub,1
MSEF (median)
1
100%
0%
3.69
0.047
3.74(0.46)
7.53
2
100%
8%
1.87
0.058
1.92(0.30)
6.95
4
96%
52%
0.354
0.054
0.409(0.093)
4.16
8
100%
68%
0.085
0.028
0.113(0.029)
0.99
16
84%
84%
0.038
0.012
0.051(0.019)
1.29
32
68%
92%
0.0012
0.0030
0.0042(0.0010)
0.36
Appendix
Table 9. Results of the verification of the generalization error ( D=5 , 25 episodes for each N , 100 held-out states, λ=1 ). Standard errors in parentheses.
Figure 13. Mean and median of the MSEF on held-out states ( D=5 , log-log scale).
A data-driven inverse optimization problem (DDIOP) is the problem of estimating the objective-function parameters (weights) that explain observed optimal-solution data, and it arises in many applications, including integer linear programming (ILP). It is known that, by applying gradient-based optimization methods to the suboptimality loss, the inverse optimization of ILPs can be solved exactly within finitely many oracle iterations, and that the required number of iterations is bounded as T=O(1/γ(ℓsub)2) in terms of a problem-dependent geometric constant γ(ℓsub). However, no means of bounding γ(ℓsub) from below as a function of the problem size has been available, and hence the number of iterations could not be given as an explicit function of the problem size. We therefore give, when the forward problem is an integer linear program (ILP), the number of iterations sufficient for projected subgradient descent applied to the suboptimality loss to achieve exact consistency with the observed data, as a fully explicit function of the number of samples, the dimension of the features, the ranges of the features, and the structure of the constraint coefficient matrix, up to polynomial factors in the basic constants (the diameter of the weight set, the step-size parameter, and the Lipschitz constant of the suboptimality loss).
Production planning in the manufacturing industry often relies on the use of optimization models, but defining an appropriate objective function can be a challenge. In practice, planners must balance competing goals, manage uncertainty, and account for qualitative business preferences that are difficult to quantify. As a result, many optimization models fail to match expert behavior, limiting trust and adoption. In this work, we propose a data-driven inverse optimization framework to infer the objective function implicitly captured in expert planners' decisions. We formulate the production planning problem as a mixed-integer linear program, where the unknown objective function is represented as a weighted sum of hypothesized cost terms. A suboptimality-loss-based inverse optimization method is then applied to learn the objective weights from historical production plans. The proposed approach is applied to a real industrial case provided by Dow, where the inferred weights reveal that avoiding inventory shortages and maintaining consistent cycle lengths dominate the planners' decision-making. Time- and product-dependent extensions further improve predictive accuracy and uncover evolving priorities. Expert interviews confirm the practical validity of these insights. Overall, this study shows that inverse optimization can transform tacit human expertise into interpretable models, enabling more accurate and trusted decision-support tools for complex industrial systems.
Shivi Dixit, Rishabh Gupta, Adam Kelloway +2
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55455, USA · The Dow Chemical Company, Midland, MI 48642, USA · Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, USA
Lagrangian Relaxation (LR) is a powerful technique for solving large-scale Mixed Integer Linear Programming (MILP), particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of Data-driven Algorithm Design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of O(s1.5/N) for the learned multipliers, where s is the number of coupling constraints and N is the sample size. Second, we provide a minimax lower-bound of Ω(s/N), proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that Stochastic Gradient Ascent (SGA) with averaging achieves the minimax optimal rate Θ(s/N). Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of Θ(s/N) and establishing a theoretical advantage over direct multiplier prediction.
Tung Quoc Le, Anh Tuan Nguyen, Viet Anh Nguyen
Université Grenoble Alpes, LJK, CNRS, Grenoble INP, 38000 Grenoble, France · Carnegie Mellon University, Machine Learning Department · Chinese University of Hong Kong, Department of Systems Engineering and Engineering Management.