16 citations · 18 across the 7 of their papers we have counts for
8 papers
PairIT: Autoregressive Transformers for Low-Data Molecule Optimization
Hannah Lawrence, Bodhi P. Vani, Ji Won Park +5
Generating novel molecules with desired properties is a central challenge in drug discovery. Although foundational work focused on de novo generation, practical use cases require a…
Training Dynamics of Learning 3D-Rotational Equivariance
Max W. Shen, Ewa Nowara, Michael Maser +1
While data augmentation is widely used to train symmetry-agnostic models, it remains unclear how quickly and effectively they learn to respect symmetries. We investigate this by de…
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning
Patricia Suriana, Joshua A. Rackers, Ewa M. Nowara +3
Machine learning models for 3D molecular property prediction typically rely on atom-based representations, which may overlook subtle physical information. Electron density maps --…
Do we need equivariant models for molecule generation?
Ewa M. Nowara, Joshua Rackers, Patricia Suriana +4
Deep generative models are increasingly used for molecular discovery, with most recent approaches relying on equivariant graph neural networks (GNNs) under the assumption that expl…
NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries
Ewa M. Nowara, Pedro O. Pinheiro, Sai Pooja Mahajan +4
We present NEBULA, the first latent 3D generative model for scalable generation of large molecular libraries around a seed compound of interest. Such libraries are crucial for scie…
Where in the World is this Image? Transformer-based Geo-localization in the Wild
Shraman Pramanick, Ewa M. Nowara, Joshua Gleason +2
Predicting the geographic location (geo-localization) from a single ground-level RGB image taken anywhere in the world is a very challenging problem. The challenges include huge di…
"Warm Bodies": A Post-Processing Technique for Animating Dynamic Blood Flow on Photos and Avatars
Daniel McDuff, Ewa Nowara
What breathes life into an embodied agent or avatar? While body motions such as facial expressions, speech and gestures have been well studied, relatively little attention has been…
The Benefit of Distraction: Denoising Remote Vitals Measurements using Inverse Attention
Ewa Nowara, Daniel McDuff, Ashok Veeraraghavan
Attention is a powerful concept in computer vision. End-to-end networks that learn to focus selectively on regions of an image or video often perform strongly. However, other image…