Graph Neural Network-based Algorithm Selection for the Traveling Salesman Problem: A Systematic Study of Cost and Rank Losses under Distinct Budget Regimes

The Traveling Salesman Problem (TSP) is a cornerstone of combinatorial optimization and arises in many practical scenarios. Although graph-based learning approaches have been explored for TSP, the question of how to exploit graph structure more effectively remains open. We present the Anisotropic Graph Diffusion Network (AGDN), a new Graph Neural Network framework designed to solve TSP. Our method tackles two central difficulties: (1) the lack of informative topological prior in fully connected TSP graphs, and (2) losing connected nodes in the optimal solution after the commonly used graph sparsification techniques. To overcome these issues, we construct a MixScore transition matrix that merges node similarity with pairwise distance, and we develop an anisotropic graph diffusion strategy that supports efficient information exchange across multiple hops. Comprehensive experiments spanning diverse instance sizes and node distributions show that AGDN consistently outperforms existing methods while keeping computation time competitive. Furthermore, AGDN generalizes well to problem sizes and distributions beyond those seen during training. The implementation is publicly available at: https://github.com/LabRAI/AGDN.

Graph neural networks are usually treated as auxiliaries for combinatorial optimization: they imitate algorithms, guide search, or supply scores to classical procedures. We show that this auxiliary role is not intrinsic. A GNN can itself be a heuristic. For the Euclidean Travelling Salesman Problem, we train a non-autoregressive GNN with no labels, rewards, sequential decoding, search, or local improvement. A differentiable Hamiltonian-cycle objective is the only supervision. The trained model produces a complete tour in one forward pass, while dropout and snapshots from a single training trajectory provide solution diversity without engineered moves. The heuristic is therefore learned, not programmed. It is also fast: batched inference remains in the millisecond regime on GPUs. Experiments on TSP100, TSP200, and TSP500 show that the model consistently improves over nearest-neighbor greedy baselines. These results identify unsupervised GNNs as a class of fast learned heuristics for combinatorial optimization.

The traveling salesman problem (TSP) is a canonical NP-hard combinatorial optimization benchmark that tests the representational capacity and generalization of neural solvers. While non-autoregressive (NAR) approaches offer parallel inference, they often lack sufficient geometric inductive bias and stable training signals, leading to degraded performance under cross-scale and cross-distribution shifts. We propose GeoRouteNet, a geometry-enhanced NAR neural solver for Euclidean TSP. On the model side, GeoRouteNet incorporates centered node features, learnable radial distance basis functions, distance-aware graph attention with explicit edge messaging, LayerNorm-SwiGLU feed-forward blocks, and cross-layer attentive residual mixing. On the training side, we design multi-candidate self-comparison reinforcement learning (MCS-RL), which samples multiple candidate tours per instance, constructs adaptive baselines from greedy and peer candidates, and adds winner-candidate guidance with annealed entropy regularization. On 10,000 random TSP50 instances, GeoRouteNet achieves a 0.32% optimality gap under Beam-1000 decoding. On TSP100, the gap is 1.26%. On 27 stratified TSPLIB EUC_2D instances, the overall gap drops from 17.12% (NAR4TSP reproduction) to 3.60%, while batch inference throughput substantially exceeds that of Concorde and LKH3. Ablation studies confirm that geometric structure enhancement and multi-candidate training are complementary: structure improvements dominate cross-distribution gains, while MCS-RL further stabilizes solution quality when paired with a strong geometric encoder.