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Dimitar Georgiev

dblp:320/0426 · DBLP profile ↗
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1ranked-venue papers
0as 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 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
Efficient and distributed learning · 67% Graph learning · 33%

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

TopicWeightPapersLastEvidence papers
Machine learning › Efficient and distributed learning › model compression
knowledge distillation
0.712023
Accelerating Molecular Graph Neural Networks via Knowledge Distillation · NeurIPS 2023
Machine learning › Efficient and distributed learning
model compression
0.712023
Accelerating Molecular Graph Neural Networks via Knowledge Distillation · NeurIPS 2023
Machine learning › Graph learning › molecular representation learning › molecular graph learning
molecular graph neural network
0.712023
Accelerating Molecular Graph Neural Networks via Knowledge Distillation · NeurIPS 2023

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

knowledge distillation · 0.7data augmentation · 0.7
YearPublicationVenuePosition
2023 Accelerating Molecular Graph Neural Networks via Knowledge Distillation
abstract
Recent advances in graph neural networks (GNNs) have enabled more comprehensive modeling of molecules and molecular systems, thereby enhancing the precision of molecular property prediction and molecular simulations. Nonetheless, as the field has been progressing to bigger and more complex architectures, state-of-the-art GNNs have become largely prohibitive for many large-scale applications. In this paper, we explore the utility of knowledge distillation (KD) for accelerating molecular GNNs. To this end, we devise KD strategies that facilitate the distillation of hidden representations in directional and equivariant GNNs, and evaluate their performance on the regression task of energy and force prediction. We validate our protocols across different teacher-student configurations and datasets, and demonstrate that they can consistently boost the predictive accuracy of student models without any modifications to their architecture. Moreover, we conduct comprehensive optimization of various components of our framework, and investigate the potential of data augmentation to further enhance performance. All in all, we manage to close the gap in predictive accuracy between teacher and student models by as much as 96.7\% and 62.5\% for energy and force prediction respectively, while fully preserving the inference throughput of the more lightweight models.
Filip Ekström Kelvinius, Dimitar Georgiev, Artur P. Toshev, Johannes Gasteiger
NeurIPS2