Discovering environments with XRM

M Pezeshki, D Bouchacourt, M Ibrahim… - arxiv preprint arxiv …, 2023 - arxiv.org
Environment annotations are essential for the success of many out-of-distribution (OOD)
generalization methods. Unfortunately, these are costly to obtain and often limited by human …

Denoising Drug Discovery Data for Improved Absorption, Distribution, Metabolism, Excretion, and Toxicity Property Prediction

M Adrian, Y Chung, AC Cheng - Journal of Chemical Information …, 2024 - ACS Publications
Predicting absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of
small molecules is a key task in drug discovery. A major challenge in building better ADMET …

Clipcleaner: Cleaning noisy labels with clip

C Feng, G Tzimiropoulos, I Patras - Proceedings of the 32nd ACM …, 2024 - dl.acm.org
Learning with Noisy labels (LNL) poses a significant challenge for the Machine Learning
community. Some of the most widely used approaches that select as clean samples for …

Improve noise tolerance of robust loss via noise-awareness

K Ding, J Shu, D Meng, Z Xu - IEEE Transactions on Neural …, 2024 - ieeexplore.ieee.org
Robust loss minimization is an important strategy for handling robust learning issue on noisy
labels. Current approaches for designing robust losses involve the introduction of noise …

Learning with Noisy Labels through Learnable Weighting and Centroid Similarity

FA Wani, MS Bucarelli, F Silvestri - 2024 International Joint …, 2024 - ieeexplore.ieee.org
We introduce a novel method for training machine learning models in the presence of noisy
labels, which are prevalent in domains such as medical diagnosis and autonomous driving …

Combating Semantic Contamination in Learning with Label Noise

W Fan, K Li - arxiv preprint arxiv:2412.11620, 2024 - arxiv.org
Noisy labels can negatively impact the performance of deep neural networks. One common
solution is label refurbishment, which involves reconstructing noisy labels through …

Denoising Drug Discovery Data for Improved ADMET Property Prediction

M Adrian, Y Chung, A Cheng - 2024 - chemrxiv.org
Predicting ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of
small molecules is a key task in drug discovery. A major challenge in building better ADMET …

Denoising Drug Discovery ADMET Data for Improved Regression Task Performance

M Adrian, Y Chung, A Cheng - 2023 - openreview.net
Predicting ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of
small molecules is a key task in drug discovery. A major challenge in building better ADMET …