4 papers
Sharp Sobolev Sandwich and Approximation Rates of Radon-Domain Ridge Integral Spaces for ReLU Networks
Juncai He, Zitong Tian
We develop the space and approximation theory for shallow neural networks with activations. The central object is the Radon-domain space $\mathcal{R}L…
Cross-Chirality Generalization by Axial Vectors for Hetero-Chiral Protein-Peptide Interaction Design
Ziyi Yang, Zitong Tian, Yinjun Jia +7
D-peptide binders targeting L-proteins have promising therapeutic potential. Despite rapid advances in machine learning-based target-conditioned peptide design, generating D-peptid…
Divergence-free Linearized Neural Networks: Integral Representation and Optimal Approximation Rates
Juncai He, Xinliang Liu, Zitong Tian
This paper studies the numerical approximation of divergence-free vector fields by linearized shallow neural networks, also referred to as random feature models or finite neuron sp…
Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space
Zitao Chen, Yinjun Jia, Zitong Tian +2
Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or c…