Author

Yi-Xin Wang

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Preprint Sep 2026

Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules

Equivariant-Free Transformer-Autoencoded Latent Flow Matching is introduced, a two-stage framework that samples a fixed-dimensional latent vector using flow matching and uses an autoregressive Transformer to determine molecular size, atom types, coordinates, and chemical attributes.

Yao Weichi, Cameron J. Gruich, B. R. Goldsmith et al. · 1 citation

#machine learning Preprint Sep 2026

Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules

In molecular discovery, molecule size is coupled to composition, structure, and other target properties. Yet most 3D generators require molecule size to be specified before generation. Here, we introduce Equivariant-Free Transformer-Autoencoded Latent Flow Matching, a two-stage generative framework that relies entirely...

Yao Weichi, Cameron J. Gruich, B. R. Goldsmith et al. · 0 citations