Demo Data from EDBT 2026 / reviewers in the wild / expert
Guillem Simeon
dblp:295/3753
· DBLP profile ↗
1ranked-venue papers
1as first author
1since 2021 · last 2023
—ORCID · none
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 1 · 1 first-author · 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 |
Deep learning architectures and training · 100% | |
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Computational science and engineering · 100% |
Topics — the 2 heaviest of 2, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Machine learning › Deep learning architectures and training
equivariant neural network |
0.7 | 1 | 2023 | TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials · NeurIPS 2023 |
Computational science and engineering › computational chemistry
molecular energy prediction |
0.7 | 1 | 2023 | TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials · NeurIPS 2023 |
Methods — techniques the papers use, named apart from their topics
tensor decomposition · 1.3message passing · 1.3
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2023 | TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular PotentialsabstractThe development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models. Guillem Simeon, Gianni De Fabritiis |
NeurIPS | 1 |