Francesco Di Giovanni
Francesco Di Giovanni is a machine learning researcher whose work spans graph neural networks and generative models for chemistry and biology. After completing a mathematics PhD on Ricci flow at UCL in 2021, he coauthored the ICLR 2022 graph-curvature paper on over-squashing that received an Outstanding Paper Honorable Mention and NeurIPS 2022 work on neural sheaf diffusion. From February 2024 to June 2024, he worked as a Senior Research Associate at the University of Oxford under Michael Bronstein, and in 2024 he published a Transactions on Machine Learning Research study on how over-squashing affects the expressive power of message-passing networks. In 2026, he coauthored the MarS-FM protein simulation model and the AquaGen explicit-solvent generative model for molecular configurations. He is a Senior Research Scientist at Valence Labs, where he works on deep learning frameworks for computational methods in chemistry and biology.
- Now at
- Valence Labs
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Timeline
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2021
A mathematics PhD at UCL
He completes a PhD in Mathematics at UCL in 2021 under Jason Lotay, with a thesis on Ricci flow. In 2021, he publishes a study on rotationally symmetric Ricci flow on R^n+1 in Advances in Mathematics.
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2022
Curvature and graph bottlenecks
At ICLR in 2022, he coauthors a paper with Jake Topping, Benjamin Paul Chamberlain, Xiaowen Dong and Michael M. Bronstein that introduces an edge-based combinatorial curvature to explain how negatively curved edges and bottlenecks produce over-squashing in graph neural networks. The paper receives an ICLR 2022 Outstanding Paper Honorable Mention.
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2022
Neural sheaf diffusion at NeurIPS
At NeurIPS in 2022, he coauthors a paper on neural sheaf diffusion with Cristian Bodnar, Benjamin Chamberlain, Pietro Liò and Michael Bronstein, giving a topological perspective on heterophily and oversmoothing in graph neural networks.
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2023
Topology and over-squashing at ICML
In an ICML 2023 paper, he and his coauthors show that graph topology plays the greatest role in over-squashing in message-passing neural networks, occurring between nodes at high commute time. At ICML in 2023, he also coauthors DRew on dynamically rewired message passing with delay.
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February 2024–June 2024
Senior Research Associate at Oxford
In February 2024, he works as a Senior Research Associate in the Department of Computer Science at the University of Oxford under Michael Bronstein; before joining Oxford, he serves as a Research Associate at the University of Cambridge in Pietro Liò's lab and as a Machine Learning Researcher at Twitter. He leaves the Oxford post in June 2024.
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2024
The expressive power of GNNs
In 2024, he and his coauthors publish a Transactions on Machine Learning Research study on how over-squashing affects the power of graph neural networks, analyzing which function classes of node features a message-passing neural network of a given capacity can learn.
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April 2026
MarS-FM for protein simulation
In April 2026, he coauthors work on MarS-FM, a flow-based generative model for protein simulation that runs at 600 times the speed of standard molecular dynamics and generalizes to unseen protein domains.
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As of October 2026
Senior Research Scientist at Valence Labs
As of October 2026, he is a Senior Research Scientist at Valence Labs, working on deep learning frameworks for computational methods in chemistry and biology. In July 2026, he coauthors AquaGen, an all-atom explicit-solvent generative model that produces molecular configurations from the Boltzmann distribution at a fraction of the cost of molecular dynamics.
Career
- NowValence LabsSenior Research Scientist
- 2024University of OxfordSenior Research Associate
- University of CambridgeResearch Associate
- TwitterMachine Learning Researcher
Education
- 2021University College LondonPhD in Mathematics
Sources and credits
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- I-X Seminar Series: Understanding message passing: limitations of the paradigm and new possibilities with Francesco Di Giovanni | Events | Imperial College London
- Publications - Francesco Di Giovanni
- Announcing the ICLR 2022 Outstanding Paper Award Recipients – ICLR Blog
- Understanding over-squashing and bottlenecks on graphs via curvature
- On Over-Squashing in Message Passing Neural Networks: The Impact of Width, Depth, and Topology
- About me - Francesco Di Giovanni
- Francesco Di Giovanni | Department of Computer Science
- Publications – Computational Applied Mathematics & AI Lab
- Building the Virtual Protein
- AquaGen: Scaling generative models to molecular dynamics precision on thousands of atoms


