EvoSim: Learning to Model, Modeling to Learn

Physics-based models connect scientific explanation with quantitative prediction. Constructing them requires selecting physical processes, defining states and governing equations, specifying couplings, and identifying parameters from experiments. Existing AI systems remain limited in making these model structure decisions autonomously. We introduce EvoSim, a self-evolving AI scientist for physical modeling. It uses experimental discrepancies to drive mechanism and equation revisions and held-out experimental data to test physical plausibility. Exploration traces make updates to knowledge, skills, and multi-agent orchestration. This co-evolution improves physics-based models and EvoSim’s ability to select mechanisms, diagnose failures, and coordinate research. We evaluate EvoSim on two industrial battery modeling tasks. It predicts lithium-metal-plating onset from 25 to 45 °C and 2 C to 6 C with a mean absolute error of 1.79% in state of charge. Dynamic voltage prediction under vehicle driving conditions achieves a root mean square error of 7.62 mV, surpassing the reported accuracy of models developed by human experts. Self-evolution reduces model and physics errors by approximately 36% relative to baseline, demonstrating improved scientific modeling capability. EvoSim turns experimental observations into validated models and cumulative research expertise.