16 citations · 28 across the 9 of their papers we have counts for
3 papers · 1 filter
Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation
Ameya Daigavane, Song Kim, Mario Geiger +1
We present Symphony, an -equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoreg…
Privacy-Utility Trade-offs in Neural Networks for Medical Population Graphs: Insights from Differential Privacy and Graph Structure
Tamara T. Mueller, Maulik Chevli, Ameya Daigavane +2
We initiate an empirical investigation into differentially private graph neural networks on population graphs from the medical domain by examining privacy-utility trade-offs at dif…
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig +60
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating…