Learning to Select MCP Algorithms: From Traditional ML to Dual-Channel GAT-MLP

Extensive experiments and prior studies show that no single maximum clique algorithm consistently performs best across all instances, highlighting the importance of selecting suitable algorithms based on instance features. Through an extensive analysis of relevant studies, it is found that there is a lack of research work concerning algorithm selection oriented toward the Maximum Clique Problem (MCP). In this work, we propose a learning-based framework that integrates both traditional machine learning and graph neural networks to address this gap. We construct a labeled dataset by running four exact MCP algorithms on a diverse collection of graph instances, accompanied by structural and global statistical features extracted from each graph. We first evaluate four conventional classifiers: Support Vector Machine (SVM), Random Forest (RF), Decision Tree (DT), and K-Nearest Neighbors (KNN), across multiple dataset variants. Experimental results show that RF consistently shows strong performance across metrics and dataset variants, making it a reliable baseline. In addition, feature importance analysis indicates that connectivity and topological structure are strong predictors of algorithm performance. Building on these findings, we develop a dual-channel model named GAT-MLP, which combines a Graph Attention Network (GAT) for local structural encoding with a Multilayer Perceptron (MLP) for global feature modeling. The GAT-MLP model shows strong and consistent performance across all metrics. Our results highlight the effectiveness of dual-channel architectures and the promise of graph neural networks in combinatorial algorithm selection.