activity
20232026
most citedUncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials

51 citations · 65 across the 23 of their papers we have counts for

collaborators
Showing 2025Show all

7 papers · 1 filter

cs.CV2025

How Many Tokens Do 3D Point Cloud Transformer Architectures Really Need?

Tuan Anh Tran, Duy M. H. Nguyen, Hoai-Chau Tran +7

Recent advances in 3D point cloud transformers have led to state-of-the-art results in tasks such as semantic segmentation and reconstruction. However, these models typically rely…

cs.LG2025★ 2 cited

S-Chain: Structured Visual Chain-of-Thought For Medicine

Khai Le-Duc, Duy M. H. Nguyen, Phuong T. H. Trinh +21

Faithful reasoning in medical vision-language models (VLMs) requires not only accurate predictions but also transparent alignment between textual rationales and visual evidence. Wh…

physics.chem-ph2025

Performance of universal machine-learned potentials with explicit long-range interactions in biomolecular simulations

Viktor Zaverkin, Matheus Ferraz, Francesco Alesiani +1

Universal machine-learned potentials promise transferable accuracy across compositional and vibrational degrees of freedom, yet their application to biomolecular simulations remain…

physics.chem-ph2025★ 1 cited

Adaptive Transition State Refinement with Learned Equilibrium Flows

Samir Darouich, Vinh Tong, Tanja Bien +2

Identifying transition states (TSs), the high-energy configurations that molecules pass through during chemical reactions, is essential for understanding and designing chemical pro…

cs.LG2025★ 2 cited

Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks

Maya Bechler-Speicher, Ben Finkelshtein, Fabrizio Frasca +9

While machine learning on graphs has demonstrated promise in drug design and molecular property prediction, significant benchmarking challenges hinder its further progress and rele…

cs.LG2025

On Zero-Initialized Attention: Optimal Prompt and Gating Factor Estimation

Nghiem T. Diep, Huy Nguyen, Chau Nguyen +5

The LLaMA-Adapter has recently emerged as an efficient fine-tuning technique for LLaMA models, leveraging zero-initialized attention to stabilize training and enhance performance.…

cs.LG2025

Adaptive Width Neural Networks

Federico Errica, Henrik Christiansen, Viktor Zaverkin +2

For almost 70 years, researchers have typically selected the width of neural networks' layers either manually or through automated hyperparameter tuning methods such as grid search…