223 citations · 727 across the 52 of their papers we have counts for
15 papers · 1 filter
Consistent Synthetic Sequences Unlock Structural Diversity in Fully Atomistic De Novo Protein Design
Danny Reidenbach, Zhonglin Cao, Zuobai Zhang +8
High-quality training datasets are crucial for the development of effective protein design models, but existing synthetic datasets often include unfavorable sequence-structure pair…
Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +5
A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. Existing solutions for this problem often struggle to effec…
Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inference
Denis Blessing, Julius Berner, Lorenz Richter +4
Solving stochastic optimal control problems with quadratic control costs can be viewed as approximating a target path space measure, e.g. via gradient-based optimization. In practi…
La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching
Tomas Geffner, Kieran Didi, Zhonglin Cao +6
Recently, many generative models for de novo protein structure design have emerged. Yet, only few tackle the difficult task of directly generating fully atomistic structures jointl…
Elucidated Rolling Diffusion Models for Probabilistic Forecasting of Complex Dynamics
Salva Rühling Cachay, Miika Aittala, Karsten Kreis +4
Diffusion models are a powerful tool for probabilistic forecasting, yet most applications in high-dimensional complex systems predict future states individually. This approach stru…
Esoteric Language Models: A Family of Any-Order Diffusion LLMs
Subham Sekhar Sahoo, Zhihan Yang, Yash Akhauri +7
Diffusion-based language models offer a compelling alternative to autoregressive (AR) models by enabling parallel and controllable generation. Within this family, Masked Diffusion…
Climate in a Bottle: Towards a Generative Foundation Model for the Kilometer-Scale Global Atmosphere
Noah D. Brenowitz, Tao Ge, Akshay Subramaniam +7
Climate modeling is reaching unprecedented resolution, producing petabytes of data. AI climate model emulators offer a path to computationally cheap analysis, enabling new scientif…
On Equivariance and Fast Sampling in Video Diffusion Models Trained with Warped Noise
Chao Liu, Arash Vahdat
Temporally consistent video-to-video generation is critical for applications such as style transfer and upsampling. In this paper, we provide a theoretical analysis of warped noise…
One-step Diffusion Models with -Divergence Distribution Matching
Yilun Xu, Weili Nie, Arash Vahdat
Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, r…
ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids
Hannes Stark, Bowen Jing, Tomas Geffner +4
We develop ProtComposer to generate protein structures conditioned on spatial protein layouts that are specified via a set of 3D ellipsoids capturing substructure shapes and semant…
Proteina: Scaling Flow-based Protein Structure Generative Models
Tomas Geffner, Kieran Didi, Zuobai Zhang +8
Recently, diffusion- and flow-based generative models of protein structures have emerged as a powerful tool for de novo protein design. Here, we develop Proteina, a new large-scale…
Not-So-Optimal Transport Flows for 3D Point Cloud Generation
Ka-Hei Hui, Chao Liu, Xiaohui Zeng +2
Learning generative models of 3D point clouds is one of the fundamental problems in 3D generative learning. One of the key properties of point clouds is their permutation invarianc…
BlobGEN-Vid: Compositional Text-to-Video Generation with Blob Video Representations
Weixi Feng, Chao Liu, Sifei Liu +3
Existing video generation models struggle to follow complex text prompts and synthesize multiple objects, raising the need for additional grounding input for improved controllabili…
A2SB: Audio-to-Audio Schrodinger Bridges
Zhifeng Kong, Kevin J Shih, Weili Nie +6
Real-world audio is often degraded by numerous factors. This work presents an audio restoration model tailored for high-res music at 44.1kHz. Our model, Audio-to-Audio Schrödinger…
GenMol: A Drug Discovery Generalist with Discrete Diffusion
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +6
Drug discovery is a complex process that involves multiple stages and tasks. However, existing molecular generative models can only tackle some of these tasks. We present Generalis…