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Geometric Algorithms for Neural Combinatorial Optimization with Constraints

NeurIPS 2025 · Learning theory and algorithms › Combinatorial and search optimization · approach: Unsupervised neural combinatorial optimization · 0 citations (OpenAlex)

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Proposes a self-supervised neural CO framework that decomposes neural outputs in a polytope into convex combinations of feasible corners (GLS/Carathéodory-based), giving a differentiable extension loss and a quality-preserving rounding.

Problem

Self-supervised neural combinatorial optimization struggles to enforce discrete constraints in both training losses and inference rounding without tuning penalty terms or using heuristic rounding.

Approach

Map neural outputs to points in the convex hull of feasible solutions, decompose them via a GLS-style Carathéodory iterative algorithm into a distribution over feasible sets, and use the expected objective (a continuous extension) as a loss; the same decomposition rounds outputs with a guarantee that the best set is at least as good as the extension value.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use the short decomposition-based method without test-time optimizationGeometric method · Maximum Coverage, tested datasetsobjective valueHelped
Use the short decomposition-based method without test-time optimizationGeometric method · Maximum Coverage, tested datasetsinference timeHelped
Add local improvement by swapping elements from sets in the decomposition supportGeometric method, medium variant · Random500, Random1000, and Railwayobjective valueHelped
Add data augmentation to the medium variantGeometric method, long variant · Random500, Random1000, and Railwayobjective valueHelped
Use the geometric method instead of GreedyMaximum Coverage · Random500, larger kobjective valueHelped
Use the geometric method instead of UCOMMaximum Coverage · Random1000 and Railwayobjective valueHelped
Use the geometric method rather than CardNN with test-time optimizationMaximum Coverage · Twitchobjective valueHurt
Optimize the extension on the test set with Adam instead of decomposing a random point projected onto the polytope (ablation)Decomposition-based method · Cardinality-constrained maximum cut, two datasets and two k settingsobjective valueHelped
Use a neural network optimized on the test data instead of direct Adam optimization of a random point (ablation)Decomposition-based method · Cardinality-constrained maximum cut, two datasets and two k settingsobjective valueHelped
Train the neural network on a separate training set rather than on the test data (ablation)Self-supervised geometric method · Cardinality-constrained maximum cut, two datasets and two k settingsobjective valueNo clear effect

Surprising findings

Limitations

Experimental setup

Datasets: synthetic random bipartite graphs (uniform and Pareto distributions)

Benchmarks: Maximum Coverage on Random500 Random1000 Twitch Railway

Metrics: objective value inference time

Baselines: random greedy Gurobi CardNN EGN UCOM2 RL (actor-critic with GraphSage)

Builds on: GLS method (Grötschel-Lovász-Schrijver) CardNN UCOM Carathéodory theorem

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