Research map / Probabilistic and scientific modeling / Bayesian optimization
Interpreting Neural Combinatorial Optimization via Evolving Programmatic Bottlenecks
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Distills black-box NCO policies (POMO, LEHD) on TSP/CVRP into LLM-evolved executable heuristic banks combined by a state-dependent attention router, using alternating hybrid textual-numerical gradient descent and bank add/drop.
Problem
Neural combinatorial optimization policies are black boxes; standard concept bottleneck models lack a fixed concept vocabulary and do not fit sequential, state-dependent construction decisions.
Approach
Use LLM-generated executable heuristics as the bottleneck concepts, mix their per-step action distributions with a state-conditioned router, and jointly optimize code (via TextGrad-style LLM revisions) and router weights (via SGD), while adapting bank size through fault-targeted add and redundancy-based drop.
Key results
- Under search, the student's gap to POMO is 0.03% (TSP-50) to 1.25% (CVRP-100), and to LEHD 0.40% (TSP-100) to 2.16% (CVRP-100).
- On zero-shot OOD POMO-TSP-500, the student beats the teacher by -15.01% (greedy) and -14.32% (search).
- On POMO-CVRP-500 the student leads by -13.57% (greedy) and -15.22% (search).
Surprising findings
- Distilled student substantially outperforms its POMO teacher on larger OOD instances (TSP-500, CVRP-500), suggesting the bottleneck filters overfitted patterns.
- POMO-distilled bank is phase-based while LEHD-distilled bank is geometry-based on TSP.
Limitations
- The router remains a black-box neural network, so the student is not fully transparent.
- The distilled surrogate cannot guarantee a perfect proxy for the original policy.
- Heavy reliance on LLM API calls (e.g., ~5,471 calls and ~30M tokens for LEHD-TSP-100); weaker LLMs struggle with complex CVRP code.
Experimental setup
Datasets: TSP-50 TSP-100 CVRP-50 CVRP-100 TSP-500 CVRP-500
Benchmarks: TSP-50 TSP-100 CVRP-50 CVRP-100 TSP-500 CVRP-500
Metrics: mean tour cost optimality gap (%) top-1 accuracy
Baselines: static-key routing (ablation) numerical-gradient-only (ablation) fixed-capacity bank (ablation)
Builds on: Concept Bottleneck Models TextGrad POMO LEHD FunSearch EoH
Closest papers by meaning
- Probing Neural Combinatorial Optimization Models (NeurIPS 2025 · similarity 0.89)
- Teacher-Aware Evolution of Heuristic Programs from Learned Optimization Policies (NeurIPS 2026 · similarity 0.87)
- Complexity Scaling Laws for Neural Models using Combinatorial Optimization (NeurIPS 2025 · similarity 0.87)
- Evolution Fine-Tuning: Learning to Discover Across 371 Optimization Tasks (NeurIPS 2026 · similarity 0.86)
- Measuring What Matters: Synthetic Benchmarks for Concept Bottleneck Models (NeurIPS 2026 · similarity 0.86)
- EvoOptiGraph: Weakness-Driven Coevolution via Graph-Based Structural Generation for Optimization Modeling (NeurIPS 2026 · similarity 0.86)
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