Semih Cantürk

PhD Student, Mila & UdeM DIRO • ML Engineer, Zetane Systems

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I’m a PhD candidate at Mila – Quebec AI Institute and Université de Montréal DIRO, in Guy Wolf’s group. My interests cover theory and applications of geometric and topological deep learning, with a focus on graph representation learning (GRL) and spectral graph theory. I am particularly interested in solving combinatorial optimization problems with GRL, leveraging geometric learning tools on biomolecular data, and developing effective positional and structural encodings (PSE) for more effective and scalable graph learning.

I completed my MSc also at Mila & UdeM, and previously obtained my BEng from the University of Pennsylvania (Penn). Recently, I was a visiting researcher at Christopher Morris’s LOG Group @ RWTH Aachen in Fall 2025. I was also a PhD Intern at Valence Labs in 2024, working on accelerating molecular dynamics simulations via MLIPs.

Previously, I was as an ML Engineer at Zetane Systems. My other work experience include internships and research stints at the Imperial College Data Science Institute (distributed computing), SAS Analytics (data science) and InfoTRON (AR/VR).

news

Nov 26, 2024 Towards a General Recipe for Combinatorial Optimization with Multi-Filter GNNs has been accepted to LoG 2024 as a Spotlight! See you next week online in poster session 1 (Nov 27, 14:00 EST) or our talk on the 29th (14:30 EST)!
Nov 18, 2024 Two new pre-prints are up! Check out the selected publications below for ‘Towards Graph Foundation Models: A Study on the Generalization of PSEs’, a follow-up paper on GPSE, and ‘OpenQDC’, a large collection of open-source quantum molecular datasets, collated and developed by Valence Labs.
May 1, 2024 GPSE has been accepted to ICML 2024! I will be attending the conference in Vienna between July 21-27, so feel free to reach out if you want to meet up.
Jan 24, 2024 I have been awarded the Université de Montréal PhD Scholarship in Artificial Intelligence (Bourse en Intelligence Artificielle 2023-2024 des ESP)!

selected publications

  1. arXiv
    GraIP: A Benchmarking Framework For Neural Graph Inverse Problems
    Semih Cantürk, Andrei Manolache, Arman Mielke, and 5 more authors
    2026
  2. TMLR
    Towards Graph Foundation Models: A Study on the Generalization of Positional and Structural Encodings
    Billy Joe Franks, Moshe Eliasof, Semih Cantürk, and 4 more authors
    Transactions on Machine Learning Research, 2025
    Reproducibility Certification
  3. LoG
    Towards a General Recipe for Combinatorial Optimization with Multi-Filter GNNs
    Frederik Wenkel, Semih Cantürk, Stefan Horoi, and 2 more authors
    2024
  4. arXiv
    OpenQDC: Open Quantum Data Commons
    Cristian Gabellini, Nikhil Shenoy, Stephan Thaler, and 5 more authors
    2024
  5. ICML
    Graph Positional and Structural Encoder
    Semih Cantürk, Renming Liu, Olivier Lapointe-Gagné, and 4 more authors
    21–27 jul 2024
  6. LoG
    Taxonomy of Benchmarks in Graph Representation Learning
    Renming Liu, Semih Cantürk, Frederik Wenkel, and 9 more authors
    In Learning on Graphs Conference, 09–12 dec 2022