Abstract
The brain's ability to switch between functional states while maintaining both flexibility and stability is shaped by its structural connectivity. Understanding the relationship between brain structure and neural dynamics is a central challenge in neuroscience. Prior studies link neural dynamics to local noisy activity and mesoscale coupling mechanisms, but causal links at the whole-brain scale remain elusive. This study investigates how the balance between integration and segregation in brain networks influences their dynamical properties, focusing on multistability (switching between stable states) and metastability (transient stability over time). We analyzed a spectrum of network models, from highly segregated to highly integrated, using structural metrics like modularity, efficiency, and small-worldness. By simulating neural activity with a neural mass model, and analyzing Functional Connectivity Dynamics (FCD), we found that segregated networks sustain dynamic synchronization patterns, while small-world networks, which balance local clustering and global efficiency, exhibit the richest dynamical behavior. Networks with intermediate small-worldness (ω) values showed peak dynamical richness, measured by variance in FCD and metastability. Using Mutual Information (MI), we quantified the structure-dynamics relationship, revealing that modularity is the strongest predictor of network dynamics, as modular architectures support transitions between dynamical states. These findings underscore the importance of the balance between local specialization, global integration, and network's modularity, which fosters the dynamic complexity necessary for cognitive functions. Our study enhances the understanding of how structural features shape neural dynamics.