Chemistry-Accelerated Machine-Enabled Learning (CAMEL): From Theoretical Understanding and Design to Experimental Interpretation and Discovery
Machine learning is transforming materials discovery, but its greatest impact may come not from applying general-purpose AI to materials data, but from constructing learning methods that embody chemical and materials-physics knowledge. I will illustrate this through interpretable representations; differentiable design using Effective Atom Theory (EAT), differentiable Equiformer fast EAT (DEFEAT), and hereditary EAT (HEAT); Bayesian interpretation of experiments; and closed theory–experiment loops. Demonstrated applications span superconductors, photovoltaics, clean-energy catalysts, ptychography, and superconducting qubits.
