Neural network-based Combinatorial Optimization (CO) methods have shown promising results in solving various NP-complete (NPC) problems without relying on hand-crafted domain knowledge. This paper broadens the current scope of neural solvers for NPC problems by introducing a new graph-based diffusion framework, namely DIFUSCO. Our framework casts NPC problems as discrete {0,1}-vector optimization problems and leverages graph-based denoising diffusion models to generate high-quality solutions. We investigate two types of diffusion models with Gaussian and Bernoulli noise, respectively, and devise an effective inference schedule to enhance the solution quality. We evaluate our methods on two well-studied NPC combinatorial optimization problems: Traveling Salesman Problem (TSP) and Maximal Independent Set (MIS). Experimental results show that DIFUSCO strongly outperforms the previous state-of-the-art neural solvers, improving the performance gap between ground-truth and neural solvers from 1.76% to 0.46% on TSP-500, from 2.46% to 1.17% on TSP-1000, and from 3.19% to 2.58% on TSP-10000. For the MIS problem, DIFUSCO outperforms the previous state-of-the-art neural solver on the challenging SATLIB benchmark.

Real-world decision-making systems are often subject to uncertainties that have to be resolved through observational data. Therefore, we are frequently confronted with combinatorial optimization problems of which the objective function is unknown and thus has to be debunked using empirical evidence. In contrast to the common practice that relies on a learning-and-optimization strategy, we consider the regression between combinatorial spaces, aiming to infer high-quality optimization solutions from samples of input-solution pairs - without the need to learn the objective function. Our main deliverable is a universal solver that is able to handle abstract undetermined stochastic combinatorial optimization problems.

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To overcome this challenge, diverging from conventional efforts of expanding the solver's search scope, we focus on enabling information to actively propagate to the solver through heat diffusion.

Sampling in discrete spaces, with critical applications in simulation and optimization, has recently been boosted by significant advances in gradient-based approaches that exploit modern accelerators like GPUs. However, two key challenges are hindering further advancement in research on discrete sampling.

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We focus on solving integer linear programs, and ground our approach in the large neighborhood search (LNS) paradigm, which iteratively chooses a subset of variables to optimize while leaving the remainder fixed. The appeal of LNS is that it can easily use any existing solver as a subroutine, and thus can inherit the benefits of carefully engineered heuristic or complete approaches and their software implementations.