activity
20222024
most citedAccurate and Efficient Structural Ensemble Generation of Macrocyclic Peptides using Internal Coordinate Diffusion

7 citations · 16 across the 9 of their papers we have counts for

collaborators

9 papers

q-bio.GN2024★ 4 cited

A mechanistically interpretable neural network for regulatory genomics

Alex M. Tseng, Gokcen Eraslan, Tommaso Biancalani +1

Deep neural networks excel in mapping genomic DNA sequences to associated readouts (e.g., protein-DNA binding). Beyond prediction, the goal of these networks is to reveal to scient…

cs.LG2024★ 1 cited

Fine-Tuning of Continuous-Time Diffusion Models as Entropy-Regularized Control

Masatoshi Uehara, Yulai Zhao, Kevin Black +6

Diffusion models excel at capturing complex data distributions, such as those of natural images and proteins. While diffusion models are trained to represent the distribution in th…

cs.LG2024★ 1 cited

Feedback Efficient Online Fine-Tuning of Diffusion Models

Masatoshi Uehara, Yulai Zhao, Kevin Black +6

Diffusion models excel at modeling complex data distributions, including those of images, proteins, and small molecules. However, in many cases, our goal is to model parts of the d…

cs.LG2023

Complex Preferences for Different Convergent Priors in Discrete Graph Diffusion

Alex M. Tseng, Nathaniel Diamant, Tommaso Biancalani +1

Diffusion models have achieved state-of-the-art performance in generating many different kinds of data, including images, text, and videos. Despite their success, there has been li…

q-bio.BM2023★ 7 cited

Accurate and Efficient Structural Ensemble Generation of Macrocyclic Peptides using Internal Coordinate Diffusion

Colin A. Grambow, Hayley Weir, Nathaniel L. Diamant +3

Macrocyclic peptides are an emerging therapeutic modality, yet computational approaches for accurately sampling their diverse 3D ensembles remain challenging due to their conformat…

cs.LG2023★ 2 cited

GraphGUIDE: interpretable and controllable conditional graph generation with discrete Bernoulli diffusion

Alex M. Tseng, Nathaniel Diamant, Tommaso Biancalani +1

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that dif…

cs.LG2023

Improving Graph Generation by Restricting Graph Bandwidth

Nathaniel Diamant, Alex M. Tseng, Kangway V. Chuang +2

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitat…

cs.LG2022

Hierarchically branched diffusion models leverage dataset structure for class-conditional generation

Alex M. Tseng, Max Shen, Tommaso Biancalani +1

Class-labeled datasets, particularly those common in scientific domains, are rife with internal structure, yet current class-conditional diffusion models ignore these relationships…

cs.LG2022★ 1 cited

Conditional Diffusion with Less Explicit Guidance via Model Predictive Control

Max W. Shen, Ehsan Hajiramezanali, Gabriele Scalia +4

How much explicit guidance is necessary for conditional diffusion? We consider the problem of conditional sampling using an unconditional diffusion model and limited explicit guida…