We propose a geometric scattering-based graph neural network (GNN) for approximating solutions of the NP-hard maximal clique (MC) problem. We construct a loss function with two terms, one which encourages the network to find a large set of nodes and the other which acts as a surrogate for the constraint that the nodes form a clique. We then use this loss to train a novel GNN architecture that outputs a vector representing the probability for each node to be part of the MC and apply a rule-based decoder to make our final prediction. The incorporation of the scattering transform alleviates the so-called oversmoothing problem that is often encountered in GNNs and would degrade the performance of our proposed setup. Our empirical results demonstrate that our method outperforms representative GNN baselines in terms of solution accuracy and inference speed as well as conventional solvers like GUROBI with limited time budgets.
翻译:我们提出一个基于几何散射的图形神经网络(GNN),以近似NP-硬性最大分层(MC)问题的解决办法。我们用两个条件构建了一个损失函数,一个是鼓励网络找到一大批节点,另一个是作为节点形成一个分层的制约的代名词。然后我们用这个损失来训练一个新的GNN结构,它输出一个矢量,代表每个节点成为MC的一部分的概率,并应用一个基于规则的解调器来作出我们的最后预测。 将分散变换纳入一个基于规则的解调器可以缓解在GNN经常遇到的所谓过度移动的问题,并将降低我们拟议设置的性能。我们的经验结果表明,我们的方法在溶解精度和推导速度方面超越了代表GNNN的基线,并且用有限的时间预算来取代了像GROBI这样的传统解算器。