Parallel Tempering for Diffusion-Based Combinatorial Optimization

Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.

We propose Tiny Recursive Models for Combinatorial Optimization (\ours{}), a general neural method for combinatorial optimization that scales both depth (how often we recursively invoke our network) and width (how much we sample in parallel). Both are fundamental for combinatorial optimization: hard instances demand a large amount of compute, while a small network is essential to avoid overfitting and capture the algorithmic essence of optimization. In particular, our method consists of a graph-aware tiny recursive model that iterates on a latent state with adaptive halting and needs only a lightweight problem-specific decoder. Compared with previous heatmap-based general neural solvers, it achieves a better balance between solution quality and inference speed on both the Traveling Salesman Problem~(TSP) and the Maximum Independent Set~(MIS) problem, and remains competitive with hybrid methods that combine neural components with heuristics specific to each problem. With the same backbone architecture for both tasks, \ours{} outperforms every diffusion-based solver on TSP from 500 to 10,000 cities at a lower inference cost, and on the standard Erdős--Rényi-[700-800] MIS benchmark it surpasses all neural solvers except those that only work well on MIS. We then explore self-relabeling for self-supervised training. We periodically replace the current set of training labels with the model's own better solutions, as an alternative training signal. Self-relabeling can, while forgoing supervision from near-optimal solutions, still result in on-par quality.

Existing neural combinatorial optimization solvers frame solution search as imitation of optimal decisions, inherently limiting their utility to single-objective minimization and static constraints. We propose GOAL, a conditioned diffusion solver over relational graph representations that enables controllable decision generations by conditioning on human-specified objectives. We introduce a heterogeneous graph encoding in which distinct edge types, corresponding to different classes of constraints, define the message passing structure of the graph neural network, which allows information to propagate selectively according to the ontology of each constraint. GOAL is instantiated and evaluated on three canonical scheduling benchmarks of various constraint complexity: the Flow Shop Problem (FSP), the Job Shop Scheduling Problem (JSP), and the Flexible Job Shop Scheduling Problem (FJSP). Generalization is demonstrated across structurally distinct constraint regimes and problem types without architectural modification. On all three benchmarks, GOAL achieves 100% solution feasibility and near-zero MAPE (below 0.20%) on multiple objectives for problem sizes up to 20 jobs and 60 operations, outperforming NSGA-II and MOEA/D in both solution quality and inference speed by up to 25x.