Enabling Population-Based Architectures for Neural Combinatorial Optimization

Neural combinatorial optimization (NCO) relies on parallel solution sampling for training, yet existing methods fail to fully exploit the rich information latent in a co-sampled solution group. Preference-optimization methods anchor on the single best solution and discard fine-grained quality and structural signal from all other peers-a failure we term gradient signal polarization. Mean-based baselines instead weight peers uniformly, so structurally near-identical peers flood the baseline with redundant information and keep gradient variance high-a failure we term baseline redundancy. We propose SSPO (Structure-Aware Similarity-Weighted Preference Optimization), which scores all $B$ sampled solutions jointly through a dissimilarity-weighted leave-one-out baseline: structurally distinct peers receive higher weight, resolving both failures in a single mechanism. The baseline uses zero-parameter, problem-adaptive solution embeddings built from the encoder's existing node representations. Experiments on TSP, EFL, and JSP benchmarks show consistent gains over prior best-anchor and uniform-weight baselines. A direct comparison against uniform RLOO on TSP and EFL confirms that structure-aware weighting is the primary driver of improvement. The SSPO-trained EFL policy has been deployed in a production facility-location system at JD$\mathord{.}$com, confirming practical viability at scale.

The primary paradigm in Neural Combinatorial Optimization (NCO) consists of construction methods, where a neural network is trained to sequentially add one solution component at a time until a complete solution is formed. We observe that the typical changes to the state between two steps are small, since usually only the node added to the solution is removed from the state. An efficient model should be able to reuse computation from prior steps. To that end, we propose a recurrent encoder that computes state embeddings based not only on the current state but also on embeddings from the previous state. We show that this recurrent encoder can achieve equivalent or better performance than a non-recurrent encoder even with $3\times$ fewer layers, thus significantly improving latency. We demonstrate our findings on three different problems: the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), and the Orienteering Problem (OP), and integrate the models into a large neighborhood search algorithm to showcase the practical relevance of our findings.

Combinatorial optimization problems (COPs) underpin many real-world decisions, but their exponentially large search spaces make high-quality solutions costly to obtain. Neural combinatorial optimization (NCO) learns fast construction policies, typically with reinforcement learning (RL), while preference-based NCO improves sample efficiency by learning from relative solution quality. However, existing preference objectives combine two distinct design choices in manually specified, one-size-fits-all formulations: what learning signal to extract from each solution pair and how to weight each pair relative to the sampled set. We present AutoPref, the first LLM-guided framework for automated preference-objective discovery in NCO. AutoPref factorizes the objective into a pairwise loss program, which defines the learning signal, and a set-aware weighting program, which determines each pair's relative contribution. Their composition forms a unified programmatic objective space containing existing preference objectives as special cases. To make its search tractable, we introduce a staged conditional search strategy with behavioral gates that filter inadmissible programs before short-horizon training and evaluation. Across TSP, CVRP, FFSP, and JSSP, AutoPref consistently outperforms strong hand-designed baselines across problem scales, demonstrating the benefits and scalability of automated objective discovery for NCO.