most citedMatterGen: a generative model for inorganic materials design

71 citations · 77 across the 5 of their papers we have counts for

collaborators

5 papers

cs.LG2024

DAGnosis: Localized Identification of Data Inconsistencies using Structures

Nicolas Huynh, Jeroen Berrevoets, Nabeel Seedat +3

Identification and appropriate handling of inconsistencies in data at deployment time is crucial to reliably use machine learning models. While recent data-centric methods are able…

cs.LG20241 cited

Time Series Diffusion in the Frequency Domain

Jonathan Crabbé, Nicolas Huynh, Jan Stanczuk +1

Fourier analysis has been an instrumental tool in the development of signal processing. This leads us to wonder whether this framework could similarly benefit generative modelling.…

cond-mat.mtrl-sci202471 cited

MatterGen: a generative model for inorganic materials design

Claudio Zeni, Robert Pinsler, Daniel Zügner +18

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative mo…

cs.LG20232 cited

TRIAGE: Characterizing and auditing training data for improved regression

Nabeel Seedat, Jonathan Crabbé, Zhaozhi Qian +1

Data quality is crucial for robust machine learning algorithms, with the recent interest in data-centric AI emphasizing the importance of training data characterization. However, c…

cs.LG20233 cited

TANGOS: Regularizing Tabular Neural Networks through Gradient Orthogonalization and Specialization

Alan Jeffares, Tennison Liu, Jonathan Crabbé +2

Despite their success with unstructured data, deep neural networks are not yet a panacea for structured tabular data. In the tabular domain, their efficiency crucially relies on va…