Contextual Molecule Representation Learning from Chemical Reaction Knowledge

no code implementations • 21 Feb 2024 • Han Tang, Shikun Feng, Bicheng Lin, Yuyan Ni, Jingjing Liu, Wei-Ying Ma, Yanyan Lan

REMO offers a novel solution to MRL by exploiting the underlying shared patterns in chemical reactions as \textit{context} for pre-training, which effectively infers meaningful representations of common chemistry knowledge.

molecular representation Representation Learning +1

Sparse Mixture Once-for-all Adversarial Training for Efficient In-Situ Trade-Off Between Accuracy and Robustness of DNNs

no code implementations • 27 Dec 2022 • Souvik Kundu, Sairam Sundaresan, Sharath Nittur Sridhar, Shunlin Lu, Han Tang, Peter A. Beerel

Existing deep neural networks (DNNs) that achieve state-of-the-art (SOTA) performance on both clean and adversarially-perturbed images rely on either activation or weight conditioned convolution operations.

Image Classification