S. Ilker Birbil

Elias Dubbeldam, Reza Mohammadi, Marit Schoonhoven et al.

Despite recent progress, deep learning methods for tabular data still struggle to compete with traditional tree-based models. A key challenge lies in modeling complex, dataset-specific feature interactions that are central to tabular data. Graph-based tabular deep learning (GTDL) methods aim to address this by representing features and their interactions as graphs. However, existing methods predominantly optimize predictive accuracy, neglecting accurate modeling of the graph structure. This position paper argues that GTDL should move beyond prediction-centric objectives and prioritize the explicit learning and evaluation of feature interactions. Using synthetic datasets with known ground-truth graph structures, we show that existing GTDL methods fail to recover meaningful feature interactions. Moreover, enforcing the true interaction structure improves predictive performance. This highlights the need for GTDL methods to prioritize quantitative evaluation and accurate structural learning. We call for a shift toward structure-aware modeling as a foundation for building GTDL systems that are not only accurate but also interpretable, trustworthy, and grounded in domain understanding.

Daan Otto, Jannis Kurtz, S. Ilker Birbil

The surge of explainable artificial intelligence methods seeks to enhance transparency and explainability in machine learning models. At the same time, there is a growing demand for explaining decisions taken through complex algorithms used in mathematical optimization. However, current explanation methods do not take into account the structure of the underlying optimization problem, leading to unreliable outcomes. In response to this need, we introduce Coherent Local Explanations for Mathematical Optimization (CLEMO). CLEMO provides explanations for multiple components of optimization models, the objective value and decision variables, which are coherent with the underlying model structure. Our sampling-based procedure can provide explanations for the behavior of exact and heuristic solution algorithms. The effectiveness of CLEMO is illustrated by experiments for the shortest path problem, the knapsack problem, and the vehicle routing problem.

S. Ilker Birbil, Ozgur Martin, Gonenc Onay et al.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the step length. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the step length but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Donato Maragno, Holly Wiberg, Dimitris Bertsimas et al.

We establish a broad methodological foundation for mixed-integer optimization with learned constraints. We propose an end-to-end pipeline for data-driven decision making in which constraints and objectives are directly learned from data using machine learning, and the trained models are embedded in an optimization formulation. We exploit the mixed-integer optimization-representability of many machine learning methods, including linear models, decision trees, ensembles, and multi-layer perceptrons, which allows us to capture various underlying relationships between decisions, contextual variables, and outcomes. We also introduce two approaches for handling the inherent uncertainty of learning from data. First, we characterize a decision trust region using the convex hull of the observations, to ensure credible recommendations and avoid extrapolation. We efficiently incorporate this representation using column generation and propose a more flexible formulation to deal with low-density regions and high-dimensional datasets. Then, we propose an ensemble learning approach that enforces constraint satisfaction over multiple bootstrapped estimators or multiple algorithms. In combination with domain-driven components, the embedded models and trust region define a mixed-integer optimization problem for prescription generation. We implement this framework as a Python package (OptiCL) for practitioners. We demonstrate the method in both World Food Programme planning and chemotherapy optimization. The case studies illustrate the framework's ability to generate high-quality prescriptions as well as the value added by the trust region, the use of ensembles to control model robustness, the consideration of multiple machine learning methods, and the inclusion of multiple learned constraints.

Utku Karaca, Nursen Aydin, Sinan Yildirim et al.

This study examines a resource-sharing problem involving multiple parties that agree to use a set of capacities together. We start with modeling the whole problem as a mathematical program, where all parties are required to exchange information to obtain the optimal objective function value. This information bears private data from each party in terms of coefficients used in the mathematical program. Moreover, the parties also consider the individual optimal solutions as private. In this setting, the concern for the parties is the privacy of their data and their optimal allocations. We propose a two-step approach to meet the privacy requirements of the parties. In the first step, we obtain a reformulated model that is amenable to a decomposition scheme. Although this scheme eliminates almost all data exchanges, it does not provide a formal privacy guarantee. In the second step, we provide this guarantee with a locally differentially private algorithm, which does not need a trusted aggregator, at the expense of deviating slightly from the optimality. We provide bounds on this deviation and discuss the consequences of these theoretical results. We also propose a novel modification to increase the efficiency of the algorithm in terms of reducing the theoretical optimality gap. The study ends with a numerical experiment on a planning problem that demonstrates an application of the proposed approach. As we work with a general linear optimization model, our analysis and discussion can be used in different application areas including production planning, logistics, and revenue management.

Gurhan Ceylan, S. Ilker Birbil

Kernels are often developed and used as implicit mapping functions that show impressive predictive power due to their high-dimensional feature space representations. In this study, we gradually construct a series of simple feature maps that lead to a collection of interpretable low-dimensional kernels. At each step, we keep the original features and make sure that the increase in the dimension of input data is extremely low, so that the resulting discriminant functions remain interpretable and amenable to fast training. Despite our persistence on interpretability, we obtain high accuracy results even without in-depth hyperparameter tuning. Comparison of our results against several well-known kernels on benchmark datasets show that the proposed kernels are competitive in terms of prediction accuracy, while the training times are significantly lower than those obtained with state-of-the-art kernel implementations.

S. Ilker Birbil, Mert Edali, Birol Yuceoglu

We propose two algorithms for interpretation and boosting of tree-based ensemble methods. Both algorithms make use of mathematical programming models that are constructed with a set of rules extracted from an ensemble of decision trees. The objective is to obtain the minimum total impurity with the least number of rules that cover all the samples. The first algorithm uses the collection of decision trees obtained from a trained random forest model. Our numerical results show that the proposed rule covering approach selects only a few rules that could be used for interpreting the random forest model. Moreover, the resulting set of rules closely matches the accuracy level of the random forest model. Inspired by the column generation algorithm in linear programming, our second algorithm uses a rule generation scheme for boosting decision trees. We use the dual optimal solutions of the linear programming models as sample weights to obtain only those rules that would improve the accuracy. With a computational study, we observe that our second algorithm performs competitively with the other well-known boosting methods. Our implementations also demonstrate that both algorithms can be trivially coupled with the existing random forest and decision tree packages.