Demonstration venue · read-only. Every page can be browsed; the buttons that would change it are switched off. Create an account to run TaxoReview on your own data.

Ignat Romanov

dblp:402/6760 · DBLP profile ↗
← Back
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 · 67% Deep learning architectures and training · 33%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling
autoregressive model
0.912025
Wyckoff Transformer: Generation of Symmetric Crystals · ICML 2025
Machine learning › Generative modeling › diffusion model
crystal structure generation
0.912025
Wyckoff Transformer: Generation of Symmetric Crystals · ICML 2025
Machine learning › Deep learning architectures and training › symmetry-aware learning
permutation invariance
0.912025
Wyckoff Transformer: Generation of Symmetric Crystals · ICML 2025

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

wyckoff positions · 0.9transformer encoder · 0.9space group symmetry · 0.9
YearPublicationVenuePosition
2025 Wyckoff Transformer: Generation of Symmetric Crystals
abstract
Crystal symmetry plays a fundamental role in determining its physical, chemical, and electronic properties such as electrical and thermal conductivity, optical and polarization behavior, and mechanical strength. Almost all known crystalline materials have internal symmetry. However, this is often inadequately addressed by existing generative models, making the consistent generation of stable and symmetrically valid crystal structures a significant challenge. We introduce WyFormer, a generative model that directly tackles this by formally conditioning on space group symmetry. It achieves this by using Wyckoff positions as the basis for an elegant, compressed, and discrete structure representation. To model the distribution, we develop a permutation-invariant autoregressive model based on the Transformer encoder and an absence of positional encoding. Extensive experimentation demonstrates WyFormer's compelling combination of attributes: it achieves best-in-class symmetry-conditioned generation, incorporates a physics-motivated inductive bias, produces structures with competitive stability, predicts material properties with competitive accuracy even without atomic coordinates, and exhibits unparalleled inference speed.
Nikita Kazeev, Wei Nong, Ignat Romanov, Ruiming Zhu, Andrey Ustyuzhanin, Shuya Yamazaki, Kedar Hippalgaonkar
ICML3