Pui-Wai Ma

Pui-Wai Ma, T. -H. Hubert Chan

We devise a new type of feedforward neural network. It is equivariant with respect to the unitary group $U(n)$. The input and output can be vectors in $\mathbb{C}^n$ with arbitrary dimension $n$. No convolution layer is required in our implementation. We avoid errors due to truncated higher order terms in Fourier-like transformation. The implementation of each layer can be done efficiently using simple calculations. As a proof of concept, we have given empirical results on the prediction of the dynamics of atomic motion to demonstrate the practicality of our approach.

Pui-Wai Ma

In our previous work [Ma and Chan (2023)], we presented a feedforward unitary equivariant neural network. We proposed three distinct activation functions tailored for this network: a softsign function with a small residue, an identity function, and a Leaky ReLU function. While these functions demonstrated the desired equivariance properties, they limited the neural network's architecture. This short paper generalises these activation functions to a single functional form. This functional form represents a broad class of functions, maintains unitary equivariance, and offers greater flexibility for the design of equivariant neural networks.