output
20092025
most citedE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials

1.9k citations

12 papers

quant-ph2025

Quantum-Assisted Graph Domination Games

C. Weeks, P. Strange, P. Drmota +1

We study quantum advantage in the 1-step graph domination game on cycle graphs numerically, analytically and through the use of Noisy intermediate scale quantum (NISQ) processors.…

cond-mat.mes-hall2025★ 6 cited

Unveiling the Miniband Structure of Graphene Moiré Superlattices via Gate-dependent Terahertz Photocurrent Spectroscopy

Juan A. Delgado-Notario, Stephen R. Power, Wojciech Knap +9

Moiré superlattices formed at the interface between stacked two-dimensional atomic crystals offer limitless opportunities to design materials with widely tunable properties and eng…

math.AC2024

On minimal flat-injective presentations over local graded rings

Fritz Grimpen, Anastasios Stefanou

Flat-injective presentations were introduced by Miller (2020) to provide combinatorial descriptions of -graded modules. We consider them in the setting of local graded…

cs.LG2022★ 9 cited

MLExchange: A web-based platform enabling exchangeable machine learning workflows for scientific studies

Zhuowen Zhao, Tanny Chavez, Elizabeth A. Holman +14

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data p…

cond-mat.mtrl-sci2021★ 34 cited

Autonomous Investigations over WS and Au{111} with Scanning Probe Microscopy

John C. Thomas, Antonio Rossi, Darian Smalley +14

Individual atomic defects in 2D materials impact their macroscopic functionality. Correlating the interplay is challenging, however, intelligent hyperspectral scanning tunneling sp…

stat.ML2021★ 29 cited

Advanced Stationary and Non-Stationary Kernel Designs for Domain-Aware Gaussian Processes

Marcus M. Noack, James A. Sethian

Gaussian process regression is a widely-applied method for function approximation and uncertainty quantification. The technique has gained popularity recently in the machine learni…