arXiv Machine Learning By Niki Triantafyllou, Maria M. Papathanasiou

EnerGNN: Learning Optimization-Compatible Energy Functions for Exact Constrained Combinatorial Inference

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EnerGNN is a framework that learns energy functions over complete binary configurations and performs exact constrained inference via mixed integer programming. It combines a graph neural network encoder, an optimization‑compatible readout, and a nonlinear energy head, and is trained with an optimality‑aware contrastive loss to reflect solution quality and constraint violations. In experiments on Quadratic Knapsack, Combinatorial Auctions, and a personalized cell therapy supply chain problem, EnerGNN achieves near‑optimal solutions with 100% feasibility, a 0.05% mean primal gap, and a 17.4× speedup over a monolithic MIP, while also generalizing to larger instances and supporting zero‑shot constraint injection.

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