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 2024Show all

6 papers · 1 filter

cs.LG2024

ExGra-Med: Extended Context Graph Alignment for Medical Vision-Language Models

Duy M. H. Nguyen, Nghiem T. Diep, Trung Q. Nguyen +10

State-of-the-art medical multi-modal LLMs (med-MLLMs), such as LLaVA-Med and BioMedGPT, primarily depend on scaling model size and data volume, with training driven largely by auto…

physics.chem-ph2024★ 1 cited

Physics-Informed Weakly Supervised Learning for Interatomic Potentials

Makoto Takamoto, Viktor Zaverkin, Mathias Niepert

Machine learning plays an increasingly important role in computational chemistry and materials science, complementing computationally intensive ab initio and first-principles metho…

cs.CV2024

Dude: Dual Distribution-Aware Context Prompt Learning For Large Vision-Language Model

Duy M. H. Nguyen, An T. Le, Trung Q. Nguyen +7

Prompt learning methods are gaining increasing attention due to their ability to customize large vision-language models to new domains using pre-trained contextual knowledge and mi…

cs.LG2024★ 1 cited

Accelerating Transformers with Spectrum-Preserving Token Merging

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

Increasing the throughput of the Transformer architecture, a foundational component used in numerous state-of-the-art models for vision and language tasks (e.g., GPT, LLaVa), is an…

cs.LG2024

Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing

Viktor Zaverkin, Francesco Alesiani, Takashi Maruyama +5

The ability to perform fast and accurate atomistic simulations is crucial for advancing the chemical sciences. By learning from high-quality data, machine-learned interatomic poten…

cs.LG2024★ 2 cited

Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

Duy M. H. Nguyen, Nina Lukashina, Tai Nguyen +7

A molecule's 2D representation consists of its atoms, their attributes, and the molecule's covalent bonds. A 3D (geometric) representation of a molecule is called a conformer and c…