Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation.
Tuan LeJulian CremerFrank NoéDjork-Arné ClevertKristof T. SchüttPublished in: ICLR (2024)
Keyphrases
- generative model
- design space
- probabilistic model
- mixture model
- discriminative models
- design process
- design space exploration
- em algorithm
- maximum entropy principle
- prior knowledge
- discriminative learning
- search space
- semi supervised
- conditional random fields
- hierarchical hidden markov models
- object categories
- design tools
- generative and discriminative models
- topic models
- representational power
- similarity measure
- expectation maximization
- discriminative methods
- multiscale