Farimah Poursafaei

Daniele Zambon

Andrea Cini

Jacob Chmura

Julia Gastinger

Micheal Bronstein

2025-08-03

Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining V.2 (publié)

Temporal Graph Learning Workshop

Daniele Zambon

Andrea Cini

Jacob Chmura

Julia Gastinger

Michael Bronstein

2025-08-03

Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining V.2 (publié)

Temporal Graph Learning Workshop

Daniele Zambon

Andrea Cini

Jacob Chmura

Julia Gastinger

Micheal Bronstein

2025-08-03

Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining V.2 (publié)

TGM: A Modular Framework for Machine Learning on Temporal Graphs

Michael M. Bronstein

Matthias Fey

While deep learning on static graphs has been revolutionized by standardized libraries like PyTorch Geometric and DGL, machine learning on T… (voir plus)emporal Graphs (TG), networks that evolve over time, lacks comparable software infrastructure. Existing TG libraries are limited in scope, focusing on a single method category or specific algorithms. We introduce Temporal Graph Modelling (TGM), a comprehensive framework for machine learning on temporal graphs to address this gap. Through a modular architecture, TGM is the first library to support both discrete and continuous-time TG methods and implements a wide range of TG methods. The TGM framework combines an intuitive front-end API with an optimized backend storage, enabling reproducible research and efficient experimentation at scale. Key features include graph-level optimizations for offline training and built-in performance profiling capabilities. Through extensive benchmarking on five real-world networks, TGM is up to 6 times faster than the widely used DyGLib library on TGN and TGAT models and up to 8 times faster than the UTG framework for converting edges into coarse-grained snapshots.

2025-06-09

ICML.cc/2025/Workshop/CODEML (publié)

openreview.net

TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs

Julia Gastinger

Mikhail Galkin

Erfan Loghmani

Ali Parviz

Jacob Danovitch

Emanuele Rossi

Ioannis Koutis

Heiner Stuckenschmidt

Guillaume Rabusseau

2024-09-26

NeurIPS.cc/2024/Datasets_and_Benchmarks_Track (poster)

openreview.net

On the Scalability of GNNs for Molecular Graphs

Maciej Sypetkowski

Frederik Wenkel

Nia Dickson

Karush Suri

Philip Fradkin

Dominique Beaini

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have obse… (voir plus)rved a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to the lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules, number of labels, and the diversity in the pretraining datasets, resulting in a 30.25% improvement when scaling to 1 billion parameters and 28.98% improvement when increasing size of dataset to eightfold. We further demonstrate strong finetuning scaling behavior on 38 tasks, outclassing previous large models. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.

2024-09-25

NeurIPS.cc/2024/Conference (poster)

openreview.net

UTG: Towards a Unified View of Snapshot and Event Based Models for Temporal Graphs

Emanuele Rossi

Many real world graphs are inherently dynamic, constantly evolving with node and edge additions. These graphs can be represented by temporal… (voir plus) graphs, either through a stream of edge events or a sequence of graph snapshots. Until now, the development of machine learning methods for both types has occurred largely in isolation, resulting in limited experimental comparison and theoretical crosspollination between the two. In this paper, we introduce Unified Temporal Graph (UTG), a framework that unifies snapshot-based and event-based machine learning models under a single umbrella, enabling models developed for one representation to be applied effectively to datasets of the other. We also propose a novel UTG training procedure to boost the performance of snapshot-based models in the streaming setting. We comprehensively evaluate both snapshot and event-based models across both types of temporal graphs on the temporal link prediction task. Our main findings are threefold: first, when combined with UTG training, snapshot-based models can perform competitively with event-based models such as TGN and GraphMixer even on event datasets. Second, snapshot-based models are at least an order of magnitude faster than most event-based models during inference. Third, while event-based methods such as NAT and DyGFormer outperforms snapshot-based methods on both types of temporal graphs, this is because they leverage joint neighborhood structural features thus emphasizing the potential to incorporate these features into snapshotbased models as well. These findings highlight the importance of comparing model architectures independent of the data format and suggest the potential of combining the efficiency of snapshot-based models with the performance of event-based models in the future.

2024-07-17

ArXiv (prépublication)

MiNT: Multi-Network Training for Transfer Learning on Temporal Graphs

Kiarash Shamsi

Tran Gia Bao Ngo

Razieh Shirzadkhani

Poupak Azad

Baris Coskunuzer

Cuneyt Gurcan Akcora

2024-06-14

ArXiv (prépublication)

MiNT: Multi-Network Training for Transfer Learning on Temporal Graphs

Kiarash Shamsi

Tran Gia Bao Ngo

Razieh Shirzadkhani

Poupak Azad

Baris Coskunuzer

Cuneyt Gurcan Akcora

2024-06-14

ArXiv (prépublication)

TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs

Julia Gastinger

Mikhail Galkin

Erfan Loghmani

Ali Parviz

Jacob Danovitch

Emanuele Rossi

Ioannis Koutis

Heiner Stuckenschmidt

Guillaume Rabusseau

Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entiti… (voir plus)es over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly larger than existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.

2024-06-14

ArXiv (prépublication)

Towards Neural Scaling Laws for Foundation Models on Temporal Graphs

Razieh Shirzadkhani

Tran Gia Bao Ngo

Kiarash Shamsi

Poupak Azad

Baris Coskunuzer

Cuneyt Gurcan Akcora

The field of temporal graph learning aims to learn from evolving network data to forecast future interactions. Given a collection of observe… (voir plus)d temporal graphs, is it possible to predict the evolution of an unseen network from the same domain? To answer this question, we first present the Temporal Graph Scaling (TGS) dataset, a large collection of temporal graphs consisting of eighty-four ERC20 token transaction networks collected from 2017 to 2023. Next, we evaluate the transferability of Temporal Graph Neural Networks (TGNNs) for the temporal graph property prediction task by pre-training on a collection of up to sixty-four token transaction networks and then evaluating the downstream performance on twenty unseen token networks. We find that the neural scaling law observed in NLP and Computer Vision also applies in temporal graph learning, where pre-training on greater number of networks leads to improved downstream performance. To the best of our knowledge, this is the first empirical demonstration of the transferability of temporal graphs learning. On downstream token networks, the largest pre-trained model outperforms single model TGNNs on thirteen unseen test networks. Therefore, we believe that this is a promising first step towards building foundation models for temporal graphs.

2024-06-14

ArXiv (prépublication)

On the Scalability of GNNs for Molecular Graphs

Maciej Sypetkowski

Frederik Wenkel

Nia Dickson

Karush Suri

Philip Fradkin

Dominique Beaini

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have obse… (voir plus)rved a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to the lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules, number of labels, and the diversity in the pretraining datasets. We further demonstrate strong finetuning scaling behavior on 38 highly competitive downstream tasks, outclassing previous large models. This gives rise to MolGPS, a new graph foundation model that allows to navigate the chemical space, outperforming the previous state-of-the-arts on 26 out the 38 downstream tasks. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.

2024-04-17

ArXiv (prépublication)