Graph4BiLO: Graph Neural Network Approximation for Bilevel Mixed-Integer Linear Optimization

Bilevel mixed-integer linear optimization problems model hierarchical decision processes in which a leader anticipates the optimal response of a follower. Although expressive, these problems are computationally challenging because lower-level optimality is embedded in the leader's feasible region. Value-function reformulations replace the nested follower optimization with a constraint involving the follower's optimal value, but evaluating this value function exactly can itself be expensive. This paper introduces Graph4BiLO, a graph neural network (GNN) approach for learning bilevel value functions from variable--constraint graph representations. In contrast to fixed-length multilayer perceptron (MLP) representations, the GNN uses shared message-passing parameters and can therefore be applied across multiple problem sizes with a single trained model. The learned ReLU network is encoded exactly as mixed-integer linear constraints and embedded in an approximate single-level formulation. A repair step subsequently re-solves the follower problem for the selected leader decision to recover a bilevel-feasible follower response. We evaluate Graph4BiLO on knapsack interdiction instances with 20--100 items against the exact MibS solver and the learning-based Neur2BiLO method. Graph4BiLO obtains objective values comparable to Neur2BiLO across all tested sizes while avoiding size-specific neural networks. An additional out-of-distribution experiment demonstrates zero-shot transfer from 20-item training instances to previously unseen 40- and 60-item instances. However, embedding message passing at every graph node substantially increases the resulting mixed-integer formulation size and solve time. These results identify a central tradeoff between size-generalizable graph representations and the computational cost of embedding GNNs within optimization models.