Projects per year
Abstract
Temporal graph networks (TGNs) have gained prominence as models for embedding dynamic interactions, but little is known about their theoretical underpinnings. We establish fundamental results about the representational power and limits of the two main categories of TGNs: those that aggregate temporal walks (WA-TGNs), and those that augment local message passing with recurrent memory modules (MP-TGNs). Specifically, novel constructions reveal the inadequacy of MP-TGNs and WA-TGNs, proving that neither category subsumes the other. We extend the 1-WL (Weisfeiler-Leman) test to temporal graphs, and show that the most powerful MP-TGNs should use injective updates, as in this case they become as expressive as the temporal WL. Also, we show that sufficiently deep MP-TGNs cannot benefit from memory, and MP/WA-TGNs fail to compute graph properties such as girth. These theoretical insights lead us to PINT --- a novel architecture that leverages injective temporal message passing and relative positional features. Importantly, PINT is provably more expressive than both MP-TGNs and WA-TGNs. PINT significantly outperforms existing TGNs on several real-world benchmarks.
Original language | English |
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Title of host publication | Advances in Neural Information Processing Systems 35 (NeurIPS 2022) |
Editors | S. Koyejo, S. Mohamed, A. Agarwal, D. Belgrave, K. Cho, A. Oh |
Publisher | Morgan Kaufmann Publishers |
Number of pages | 13 |
ISBN (Print) | 978-1-7138-7108-8 |
Publication status | Published - 2022 |
MoE publication type | A4 Conference publication |
Event | Conference on Neural Information Processing Systems - New Orleans, United States Duration: 28 Nov 2022 → 9 Dec 2022 Conference number: 36 https://nips.cc/ |
Publication series
Name | Advances in Neural Information Processing Systems |
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Publisher | Morgan Kaufmann Publishers |
Volume | 35 |
ISSN (Print) | 1049-5258 |
Conference
Conference | Conference on Neural Information Processing Systems |
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Abbreviated title | NeurIPS |
Country/Territory | United States |
City | New Orleans |
Period | 28/11/2022 → 09/12/2022 |
Internet address |
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HEALED/Kaski S.: Human-steered next-generation machine learning for reviving drug design (HEALED)
Kaski, S. (Principal investigator)
01/09/2021 → 31/08/2025
Project: RCF Academy Project
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ELISE: European Learning and Intelligent Systems Excellence
Kaski, S. (Principal investigator)
01/09/2020 → 31/08/2024
Project: EU H2020 Framework program
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-: Finnish Center for Artificial Intelligence
Kaski, S. (Principal investigator)
01/01/2019 → 31/12/2022
Project: Academy of Finland: Other research funding