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. A simulation from public publication records: the people listed were not invited and did not agree to review.
? Tutorial for this page

Guillem Simeon

dblp:295/3753 · DBLP profile ↗
← Back
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

TopicWeightPapersLastEvidence papers
Machine learning › Deep learning architectures and training
equivariant neural network
0.712023
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials · NeurIPS 2023
Computational science and engineering › computational chemistry
molecular energy prediction
0.712023
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
YearPublicationVenuePosition
2023 TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials
abstract
The 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
NeurIPS1