203 citations · 254 across the 18 of their papers we have counts for
7 papers · 1 filter
Cyclic Denoising Reveals Ultrastable Memories in Diffusion Models
Rishabh Sharma, Stefano Martiniani
We introduce cyclic denoising -- repeated forward and reverse diffusion at controlled noise amplitudes -- as an extraction attack for image diffusion models. Inspired by random org…
MolCrystalFlow: Molecular Crystal Structure Prediction via Flow Matching
Cheng Zeng, Harry W. Sullivan, Thomas Egg +8
Molecular crystal structure prediction represents a grand challenge in computational chemistry due to large sizes of constituent molecules and complex intra- and intermolecular int…
Open Materials Generation with Inference-Time Reinforcement Learning
Philipp Hoellmer, Stefano Martiniani
Continuous-time generative models for crystalline materials enable inverse materials design by learning to predict stable crystal structures, but incorporating explicit target prop…
MolGuidance: Advanced Guidance Strategies for Conditional Molecular Generation with Flow Matching
Jirui Jin, Cheng Zeng, Pawan Prakash +5
Key objectives in conditional molecular generation include ensuring chemical validity, aligning generated molecules with target properties, promoting structural diversity, and enab…
All that structure matches does not glitter
Maya M. Martirossyan, Thomas Egg, Philipp Hoellmer +7
Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field…
Contrastive Self-Supervised Learning As Neural Manifold Packing
Guanming Zhang, David J. Heeger, Stefano Martiniani
Contrastive self-supervised learning based on point-wise comparisons has been widely studied for vision tasks. In the visual cortex of the brain, neuronal responses to distinct sti…