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Kareem Abdelmaqsoud

dblp:405/4457 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 87% Bioinformatics and computational biology · 13%
Artificial intelligence
1 paper
Deep learning architectures and training · 100%

Topics — the 4 heaviest of 5, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Computational science and engineering › model simulation
atomistic simulation
0.912025
UMA: A Family of Universal Models for Atoms · NeurIPS 2025
Computational science and engineering › model simulation › atomistic simulation
machine learning interatomic potential
0.912025
UMA: A Family of Universal Models for Atoms · NeurIPS 2025
Machine learning › Deep learning architectures and training
mixture of experts
0.312025
UMA: A Family of Universal Models for Atoms · NeurIPS 2025
Bioinformatics and computational biology
molecular property prediction
0.312025
UMA: A Family of Universal Models for Atoms · NeurIPS 2025

Methods — techniques the papers use, named apart from their topics

scaling laws · 1.7
YearPublicationVenuePosition
2025 UMA: A Family of Universal Models for Atoms
abstract
The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, we present a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only $\sim$50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to build increasingly capable AI models.
Brandon M. Wood, Misko Dzamba, Xiang Fu 0005, Muhammed Shuaibi, Luis Barroso-Luque, Kareem Abdelmaqsoud, Vahe Gharakhanyan, John R. Kitchin, Daniel S. Levine 0003, Kyle Michel, Anuroop Sriram, Taco Cohen, Abhishek Das 0002, Sushree Jagriti Sahoo, Ammar Rizvi, Zachary W. Ulissi, C. Lawrence Zitnick
NeurIPS7