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Eric Fuemmeler

dblp:399/5161 · 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.

Artificial intelligence
1 paper
Generative modeling · 100%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 100%

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

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling › generative model › continuous-time generative model
stochastic interpolants
0.912025
Open Materials Generation with Stochastic Interpolants · ICML 2025
Computational science and engineering › materials science
materials discovery
0.912025
Open Materials Generation with Stochastic Interpolants · ICML 2025
Machine learning › Generative modeling
diffusion model
0.312025
Open Materials Generation with Stochastic Interpolants · ICML 2025
Machine learning › Generative modeling
flow matching
0.312025
Open Materials Generation with Stochastic Interpolants · ICML 2025

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

equivariant graph neural network · 1.7discrete flow matching · 1.7
YearPublicationVenuePosition
2025 Open Materials Generation with Stochastic Interpolants
abstract
The discovery of new materials is essential for enabling technological advancements. Computational approaches for predicting novel materials must effectively learn the manifold of stable crystal structures within an infinite design space. We introduce Open Materials Generation (OMatG), a unifying framework for the generative design and discovery of inorganic crystalline materials. OMatG employs stochastic interpolants (SI) to bridge an arbitrary base distribution to the target distribution of inorganic crystals via a broad class of tunable stochastic processes, encompassing both diffusion models and flow matching as special cases. In this work, we adapt the SI framework by integrating an equivariant graph representation of crystal structures and extending it to account for periodic boundary conditions in unit cell representations. Additionally, we couple the SI flow over spatial coordinates and lattice vectors with discrete flow matching for atomic species. We benchmark OMatG’s performance on two tasks: Crystal Structure Prediction (CSP) for specified compositions, and de novo generation (DNG) aimed at discovering stable, novel, and unique structures. In our ground-up implementation of OMatG, we refine and extend both CSP and DNG metrics compared to previous works. OMatG establishes a new state of the art in generative modeling for materials discovery, outperforming purely flow-based and diffusion-based implementations. These results underscore the importance of designing flexible deep learning frameworks to accelerate progress in materials science. The OMatG code is available at https://github.com/FERMat-ML/OMatG.
Philipp Höllmer, Thomas Egg, Maya M. Martirossyan, Eric Fuemmeler, Zeren Shui, Pawan Prakash, Adrian E. Roitberg, George Karypis, Mark K. Transtrum, Richard G. Hennig, Ellad B. Tadmor, Stefano Martiniani
ICML4