SHAPPEing agent-based models to spatial data: Sequential Hooke's law Algorithm for Point Pattern reconstruction with Environmental constraints

Agent-based models (ABMs) are widely used to study biological systems consisting of interacting species, such as tumour and immune cells, but their predictions depend on how agents are initially placed. High-resolution imaging techniques can capture the spatial configurations of various biological systems, but their use is costly. Furthermore, they only provide small regions of interest that may be too small to initialise most ABMs directly. Here, we present the Sequential Hooke's law Algorithm for Point Pattern reconstruction with Environmental constraints, or SHAPPE, a multitype point pattern reconstruction algorithm that generates synthetic reconstructions of arbitrary size and shape by moving points under spring-like forces with data-derived target distances. As it enforces a first-order structure through environmental constraints estimated with density grids, SHAPPE can be applied to both homogeneous and inhomogeneous point patterns. Applied to 87 glioblastoma IMC samples, we show that SHAPPE reduces dissimilarity in density distributions by a median of 53% and errors in inter-cell-type exposure levels by 34% relative to a random baseline. We then initialise a glioblastoma ABM with SHAPPE reconstructions instead of random configurations and find reduced tumour-CD8+ T cell interaction frequency with SHAPPE. This decrease translates into an over 20% decrease in the average number of tumour cells killed by CD8+ T cells over 50 days. Altogether, SHAPPE shows the potential to ease the integration of high-resolution imaging techniques into computational biology ABMs and ground initial conditions in data.