Portrait de Shenyang Huang

Shenyang Huang

Collaborateur·rice alumni - McGill
Superviseur⋅e principal⋅e
Co-supervisor
Sujets de recherche
Apprentissage profond
Apprentissage spectral
Exploration des données
Modélisation moléculaire
Réseaux de neurones en graphes

Publications

TGM: A Modular Framework for Machine Learning on Temporal Graphs
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.
Are Large Language Models Good Temporal Graph Learners?
Large Language Models (LLMs) have recently driven significant advancements in Natural Language Processing and various other applications. Wh… (voir plus)ile a broad range of literature has explored the graph-reasoning capabilities of LLMs, including their use of predictors on graphs, the application of LLMs to dynamic graphs -- real world evolving networks -- remains relatively unexplored. Recent work studies synthetic temporal graphs generated by random graph models, but applying LLMs to real-world temporal graphs remains an open question. To address this gap, we introduce Temporal Graph Talker (TGTalker), a novel temporal graph learning framework designed for LLMs. TGTalker utilizes the recency bias in temporal graphs to extract relevant structural information, converted to natural language for LLMs, while leveraging temporal neighbors as additional information for prediction. TGTalker demonstrates competitive link prediction capabilities compared to existing Temporal Graph Neural Network (TGNN) models. Across five real-world networks, TGTalker performs competitively with state-of-the-art temporal graph methods while consistently outperforming popular models such as TGN and HTGN. Furthermore, TGTalker generates textual explanations for each prediction, thus opening up exciting new directions in explainability and interpretability for temporal link prediction. The code is publicly available at https://github.com/shenyangHuang/TGTalker.
TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs
UTG: Towards a Unified View of Snapshot and Event Based Models for Temporal Graphs
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.
MiNT: Multi-Network Training for Transfer Learning on Temporal Graphs
Kiarash Shamsi
Tran Gia Bao Ngo
Poupak Azad
Baris Coskunuzer
Cuneyt Gurcan Akcora
MiNT: Multi-Network Training for Transfer Learning on Temporal Graphs
Kiarash Shamsi
Tran Gia Bao Ngo
Poupak Azad
Baris Coskunuzer
Cuneyt Gurcan Akcora
TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs
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.
Towards Neural Scaling Laws for Foundation Models on Temporal Graphs
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.
Static graph approximations of dynamic contact networks for epidemic forecasting
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets
Joao Alex Cunha
Zhiyi Li
Samuel Maddrell-Mander
Callum McLean
Jama Hussein Mohamud
Michael Craig
Cristian Gabellini
Kerstin Klaser
Josef Dean
Maciej Sypetkowski
Ioannis Koutis
Hadrien Mary
Therence Bois
Andrew William Fitzgibbon
Blazej Banaszewski
Chad Martin
Dominic Masters
Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, wh… (voir plus)ere datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks. The Graphium library is publicly available on Github and the dataset links are available in Part 1 and Part 2.
Laplacian Change Point Detection for Single and Multi-view Dynamic Graphs
Dynamic graphs are rich data structures that are used to model complex relationships between entities over time. In particular, anomaly dete… (voir plus)ction in temporal graphs is crucial for many real-world applications such as intrusion identification in network systems, detection of ecosystem disturbances, and detection of epidemic outbreaks. In this article, we focus on change point detection in dynamic graphs and address three main challenges associated with this problem: (i) how to compare graph snapshots across time, (ii) how to capture temporal dependencies, and (iii) how to combine different views of a temporal graph. To solve the above challenges, we first propose Laplacian Anomaly Detection (LAD) which uses the spectrum of graph Laplacian as the low dimensional embedding of the graph structure at each snapshot. LAD explicitly models short-term and long-term dependencies by applying two sliding windows. Next, we propose MultiLAD, a simple and effective generalization of LAD to multi-view graphs. MultiLAD provides the first change point detection method for multi-view dynamic graphs. It aggregates the singular values of the normalized graph Laplacian from different views through the scalar power mean operation. Through extensive synthetic experiments, we show that (i) LAD and MultiLAD are accurate and outperforms state-of-the-art baselines and their multi-view extensions by a large margin, (ii) MultiLAD’s advantage over contenders significantly increases when additional views are available, and (iii) MultiLAD is highly robust to noise from individual views. In five real-world dynamic graphs, we demonstrate that LAD and MultiLAD identify significant events as top anomalies such as the implementation of government COVID-19 interventions which impacted the population mobility in multi-view traffic networks.
Temporal Graph Analysis with TGX
Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely d… (voir plus)esigned for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.