Dominique Beaini
Dominique Beaini is an AI researcher whose work connects computer vision and robotics with graph learning for molecular science. He completed a robotics and computer vision PhD at Polytechnique Montréal, then coauthored Directional Graph Networks and later contributed to graph and molecular learning tools such as Graphium, MolGPS and SeedER. In 2025, he coauthored a Valence Labs perspective on virtual cells that predict cellular responses to perturbations and explain molecular effects. He leads a research unit at Valence Discovery and is an adjunct professor at Université de Montréal.
- Now at
- Valence Discovery and Université de Montréal
- Badges
Timeline
-
2018–2019
Electromagnetic kernels and a PhD
In 2018, he coauthors a paper on convolution kernels based on electromagnetic potentials and fields for computer vision and shape analysis. In 2019, his doctoral thesis at Polytechnique Montréal examines Green Function and Electromagnetic Potential methods for computer vision and convolutional neural network applications. His doctoral research covers robotics and computer vision.
-
2020
Directional Graph Networks
In 2020, he coauthors Directional Graph Networks, which introduces globally consistent anisotropic kernels for graph convolutions. Its benchmarks show relative error reductions of 8% on CIFAR10 graph data and 11% to 32% on molecular ZINC.
-
June 2021
Graph research at Valence
In June 2021, he gives a Cambridge AI Research Group talk on deep learning for graphs as Head of Graph Research at Valence Discovery. The company focuses on drug discovery through property prediction, screening and generation.
-
2023
Graphium for molecular learning
In 2023, he writes Graphcore's introduction to Graphium, an open-source library for graph representation learning on real-world chemistry tasks. Its API supports training large-scale molecular GNNs.
-
2024
MolGPS for molecular graphs
In 2024, he coauthors a study on scaling graph neural networks for molecular graphs that introduces MolGPS, a graph foundation model. MolGPS outperforms previous state-of-the-art models on 26 of 38 downstream tasks.
-
2025
A virtual-cell framework
In 2025, he coauthors Valence Labs' perspective on virtual cells, which should predict cellular responses to perturbations and explain them through changes to biomolecular interactions. It proposes a lab-in-the-loop approach and biologically grounded benchmarks to guide virtual-cell development.
-
May 2026
SeedER for knowledge graph retrieval
In May 2026, he coauthors SeedER, a first-stage knowledge-graph retrieval method that uses Graph Transformers and reinforcement learning and can run on a CPU. The paper reports performance competitive with approaches fine-tuned from large language models.
-
As of October 2026
Research leadership at Valence
As of October 2026, he leads a research unit at Valence Discovery and is an adjunct professor in Université de Montréal's Department of Computer Science and Operations Research. His research interests include graph neural networks, molecular modeling and drug discovery.
Career
- Since 2021Valence DiscoveryHead of Graph Research
- NowUniversité de MontréalAdjunct Professor
Education
- 2019Polytechnique MontréalPhD
Sources and credits
Photo: We have no published photo of Dominique Beaini yet. Send us a free-licensed photo.
- Novel Convolution Kernels for Computer Vision and Shape Analysis based on Electromagnetism
- Documents dont l'auteur est "Beaini, Dominique" - PolyPublie
- Dominique Beaini | Mila
- Directional Graph Networks
- Unlocking Deep Learning for Graphs
- Graphium: an IPU-ready Python Library for training molecular GNNs at scale
- On the Scalability of GNNs for Molecular Graphs
- Virtual Cells: Predict, Explain, Discover
- Virtual Cells: Predict, Explain, Discover - Valence Labs
- SeedER: Seed-Expand-Retrieve for Efficient Knowledge Graph Retrieval