Graph Neural Networks (GNNs) have emerged as a powerful, differentiable class of learning models for graph-structured systems. Their ability to generalize across topologies opens the prospect of a surrogate for combined structural and parametric optimization, which classical metamodels cannot offer. Supply chains are a natural target, yet the use of GNN surrogates for supply chain problems is largely unexplored. This paper lays the foundation, presents initial steps, and discusses key research directions. As a foundation, we formulate the problem and create a large public training dataset of programmatically generated supply chain graphs with input parameters and steady-state performance metrics obtained using our SupplyNetPy simulation library. As initial steps, we explore GNN architectures that work well as surrogates for node- and network-level predictions, and analyze their accuracy-compute trade-off against simulation. Most importantly, we outline the exciting directions this opens, namely gradient-based optimization over topology, fast design-space exploration, and sensitivity analysis.
This paper introduces SupplyNetPy, an open-source, well-documented Python library for modeling and discrete-event simulation of supply chain networks with arbitrary multi-echelon structures. It supports multiple replenishment policies, perishable inventory, node disruptions, and stochastic demand and lead times. All components are extensible via inheritance. Users describe a supply chain as a graph with node and link attributes, while the library handles simulation, providing logs and extensive node and network level performance reports. This paper presents the motivation, design, key features, and architecture of SupplyNetPy, along with detailed validation results (against analytical benchmarks, a commercial tool, and a published case study). A key motivation behind SupplyNetPy's development is programmatic generation and simulation of complex models, enabling design-space exploration, what-if analysis, training data generation, and supply chain digital twins.