Organizations: C2DL, Institute of Automation, Chinese Academy of Sciences · School of Artificial Intelligence, University of Chinese Academy of Sciences · Tencent AI Lab · AiRiA
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.
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.com, confirming practical viability at scale.
Deep neural networks based on reinforcement learning (RL) for solving combinatorial optimization (CO) problems are developing rapidly and have shown a tendency to approach or even outperform traditional solvers. However, existing methods overlook an important distinction: CO problems differ from other traditional problems in that they focus solely on the optimal solution provided by the model within a specific length of time, rather than considering the overall quality of all solutions generated by the model. In this paper, we propose Leader Reward and apply it during two different training phases of the Policy Optimization with Multiple Optima (POMO) model to enhance the model's ability to generate optimal solutions. This approach is applicable to a variety of CO problems, such as the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), and the Flexible Flow Shop Problem (FFSP), but also works well with other POMO-based models or inference phase's strategies. We demonstrate that Leader Reward greatly improves the quality of the optimal solutions generated by the model. Specifically, we reduce the POMO's gap to the optimum by more than 100 times on TSP100 with almost no additional computational overhead.
Neural Combinatorial Optimization (NCO) has mostly focused on learning policies, typically neural networks, that operate on a single candidate solution at a time, either by constructing one from scratch or iteratively improving it. In contrast, decades of work in metaheuristics have shown that maintaining and evolving populations of solutions improves robustness and exploration, and often leads to stronger performance. To close this gap, we study how to make NCO explicitly population-based by learning policies that act on sets of candidate solutions. We first propose a simple taxonomy of population awareness levels and use it to highlight two key design challenges: (i) how to represent a whole population inside a neural network, and (ii) how to learn population dynamics that balance intensification (generating good solutions) and diversification (maintaining variety). We make these ideas concrete with two complementary tools: one that improves existing solutions using information shared across the whole population, and the other generates new candidate solutions that explicitly balance being high-quality with diversity. Experimental results on Maximum Cut and Maximum Independent Set indicate that incorporating population structure is advantageous for learned optimization methods and opens new connections between NCO and classical population-based search.
Andoni Irazusta Garmendia, Josu Ceberio, Alexander Mendiburu