VLDB 2026 Research / reviewers in the wild / expert
Shuya Yamazaki
dblp:402/6605
· DBLP profile ↗
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
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Machine learning › Generative modeling
autoregressive model |
0.9 | 1 | 2025 | Wyckoff Transformer: Generation of Symmetric Crystals · ICML 2025 |
Machine learning › Generative modeling › diffusion model
crystal structure generation |
0.9 | 1 | 2025 | Wyckoff Transformer: Generation of Symmetric Crystals · ICML 2025 |
Machine learning › Deep learning architectures and training › symmetry-aware learning
permutation invariance |
0.9 | 1 | 2025 | 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
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | Wyckoff Transformer: Generation of Symmetric CrystalsabstractCrystal 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 |
ICML | 6 |