My lab develops novel computational methods for biomedical discovery at the intersection of machine learning, agent-based modeling, and geometric and topological data analysis. We are broadly engaged in AI for Science (AI4Science) and NeuroAI, with a focus on uncovering the structure and dynamics of complex biological systems. Applications of our work span drug discovery, cancer biology, cell communication and signaling, developmental biology, and neuroscience. By integrating mathematical principles and domain knowledge into learning algorithms, we aim to bridge data-driven modeling with mechanistic understanding.