Transferability of QHFlow improvements to other SE(3)-equivariant backbones
Determine whether the performance improvements of the high-order SE(3)-equivariant flow matching framework QHFlow observed when implemented on QHNet transfer when QHFlow is implemented on other SE(3)-equivariant neural network backbones such as WANet or SPHNet.
References
Although the approach should, in principle, be compatible with other SE(3) equivariant backbones (e.g., WANet or SPHNet), those implementations are not open-sourced, so we could not verify the transferability of our gains.
— High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
(2505.18817 - Kim et al., 24 May 2025) in Appendix, Additional experimental results and limitations, Limitations