4 citations · 20 across the 20 of their papers we have counts for
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Molecule Generation with Fragment Retrieval Augmentation
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +5
Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragme…
Warped Diffusion: Solving Video Inverse Problems with Image Diffusion Models
Giannis Daras, Weili Nie, Karsten Kreis +4
Using image models naively for solving inverse video problems often suffers from flickering, texture-sticking, and temporal inconsistency in generated videos. To tackle these probl…
Multi-student Diffusion Distillation for Better One-step Generators
Yanke Song, Jonathan Lorraine, Weili Nie +2
Diffusion models achieve high-quality sample generation at the cost of a lengthy multistep inference procedure. To overcome this, diffusion distillation techniques produce student…
Energy-Based Diffusion Language Models for Text Generation
Minkai Xu, Tomas Geffner, Karsten Kreis +5
Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusio…
Truncated Consistency Models
Sangyun Lee, Yilun Xu, Tomas Geffner +4
Consistency models have recently been introduced to accelerate sampling from diffusion models by directly predicting the solution (i.e., data) of the probability flow ODE (PF ODE)…
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini +7
Mapping the conformational dynamics of proteins is crucial for elucidating their functional mechanisms. While Molecular Dynamics (MD) simulation enables detailed time evolution of…
DisCo-Diff: Enhancing Continuous Diffusion Models with Discrete Latents
Yilun Xu, Gabriele Corso, Tommi Jaakkola +2
Diffusion models (DMs) have revolutionized generative learning. They utilize a diffusion process to encode data into a simple Gaussian distribution. However, encoding a complex, po…
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
Siyi Gu, Minkai Xu, Alexander Powers +6
Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recen…