2025
Topological Signatures of Adversaries in Multimodal Alignments.
CoRR, January, 2025

Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation.
J. Chem. Inf. Model., 2025

LoRID: Low-Rank Iterative Diffusion for Adversarial Purification.
Proceedings of the AAAI-25, Sponsored by the Association for the Advancement of Artificial Intelligence, February 25, 2025

2024
LaFA: Latent Feature Attacks on Non-negative Matrix Factorization.
CoRR, 2024

2023
Distributed non-negative RESCAL with automatic model selection for exascale data.
J. Parallel Distributed Comput., September, 2023

Uncertainty-driven dynamics for active learning of interatomic potentials.
Nat. Comput. Sci., 2023

Robust Adversarial Defense by Tensor Factorization.
Proceedings of the International Conference on Machine Learning and Applications, 2023

2022
Distributed non-negative RESCAL with Automatic Model Selection for Exascale Data.
CoRR, 2022

2020
A Neural Network for Determination of Latent Dimensionality in Nonnegative Matrix Factorization.
CoRR, 2020

Automated discovery of a robust interatomic potential for aluminum.
CoRR, 2020

2018
Less is more: sampling chemical space with active learning.
CoRR, 2018