Less is more: sampling chemical space with active learning. - Justin S. Smith; Ben Nebgen; Nicholas Lubbers; Olexandr Isayev; Adrian E. Roitberg (CoRR, 2018)

Automated discovery of a robust interatomic potential for aluminum. - Justin S. Smith; Benjamin T. Nebgen; Nithin Mathew; Jie Chen; Nicholas Lubbers; Leonid Burakovsky; Sergei Tretiak; Hai Ah Nam; Timothy C. Germann; Saryu Fensin; Kipton Barros (CoRR, 2020)

A Neural Network for Determination of Latent Dimensionality in Nonnegative Matrix Factorization. - Benjamin T. Nebgen; Raviteja Vangara; Miguel Ángel Hombrados-Herrera; Svetlana Kuksova; Boian S. Alexandrov (CoRR, 2020)

Distributed non-negative RESCAL with Automatic Model Selection for Exascale Data. - Manish Bhattarai; Namita Kharat; Erik Skau; Benjamin T. Nebgen; Hristo N. Djidjev; Sanjay V. Rajopadhye; James P. Smith; Boian S. Alexandrov (CoRR, 2022)

Robust Adversarial Defense by Tensor Factorization. - Manish Bhattarai; Mehmet Cagri Kaymak; Ryan Barron; Ben Nebgen; Kim Ø. Rasmussen; Boian S. Alexandrov (ICMLA, 2023)

Uncertainty-driven dynamics for active learning of interatomic potentials. - Maksim Kulichenko; Kipton Barros; Nicholas Lubbers; Ying Wai Li; Richard A. Messerly; Sergei Tretiak; Justin S. Smith; Benjamin T. Nebgen (Nat. Comput. Sci., 2023)

Distributed non-negative RESCAL with automatic model selection for exascale data. - Manish Bhattarai; Namita Kharat; Ismael Boureima; Erik Skau; Benjamin T. Nebgen; Hristo N. Djidjev; Sanjay V. Rajopadhye; James P. Smith; Boian S. Alexandrov (J. Parallel Distributed Comput., 2023)

LaFA: Latent Feature Attacks on Non-negative Matrix Factorization. - Minh N. Vu; Ben Nebgen; Erik Skau; Geigh Zollicoffer; Juan Castorena; Kim Ø. Rasmussen; Boian S. Alexandrov; Manish Bhattarai (CoRR, 2024)

LoRID: Low-Rank Iterative Diffusion for Adversarial Purification. - Geigh Zollicoffer; Minh N. Vu; Ben Nebgen; Juan Castorena; Boian S. Alexandrov; Manish Bhattarai (AAAI, 2025)

Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation. - Luan G. F. dos Santos; Benjamin T. Nebgen; Alice E. A. Allen; Brenden W. Hamilton; Sakib Matin; Justin S. Smith; Richard A. Messerly (J. Chem. Inf. Model., 2025)

Topological Signatures of Adversaries in Multimodal Alignments. - Minh N. Vu; Geigh Zollicoffer; Huy Mai; Ben Nebgen; Boian S. Alexandrov; Manish Bhattarai (CoRR, 2025)