3 citations · 5 across the 10 of their papers we have counts for
3 papers · 1 filter
SynLaD: Latent Diffusion for Generating Synthesizable Molecules Conditioned on 3D Pharmacophore Profiles
Miruna Cretu, John Bradshaw, Patricia Suriana +6
We present SynLaD, a latent diffusion framework for small-molecule generation that unifies ligand-based drug design objectives (what to make) with synthetic accessibility (how to m…
Generate in Reconstruction Space, Match in Semantic Space: Transport Geometry for One-Step Generation
Hugues Van Assel, Edward De Brouwer, Saeed Saremi +2
Generative modeling and self-supervised representation learning (SSL) optimize structurally different objectives: generative training rewards distributional fidelity, while SSL rew…
Adjusted Scores for Discrete Langevin Algorithms
Armand Gissler, Saeed Saremi, Francis Bach
Sampling from discrete distributions is a ubiquitous task in machine learning, recently revisited by the emergence of discrete diffusion models. While Langevin algorithms constitut…