arXiv subjects

Shenyang Huang

Publications and source records attributed to Shenyang Huang.

At least 19 recordsLinked to original sources

arXiv2025

TGM: a Modular and Efficient Library for Machine Learning on Temporal Graphs

Well-designed open-source software drives progress in Machine Learning (ML) research. While static graph ML enjoys mature frameworks like PyTorch Geometric and DGL, ML for temporal graphs (TG), networks that evolve over time, lacks comparable infrastructure. Existing TG libraries are often tailored to specific architectures, hindering support for diverse models in this rapidly evolving field. Additionally, the divide between continuous- and discrete-time dynamic graph methods (CTDG and DTDG) limits direct comparisons and idea transfer. To address these gaps, we introduce Temporal Graph Modelling (TGM), a research-oriented library for ML on temporal graphs, the first to unify CTDG and DTDG approaches. TGM offers first-class support for dynamic node features, time-granularity conversions, and native handling of link-, node-, and graph-level tasks. Empirically, TGM achieves an average 7.8x speedup across multiple models, datasets, and tasks compared to the widely used DyGLib, and an average 175x speedup on graph discretization relative to available implementations. Beyond efficiency, we show in our experiments how TGM unlocks entirely new research possibilities by enabling dynamic graph property prediction and time-driven training paradigms, opening the door to questions previously impractical to study. TGM is available at https://github.com/tgm-team/tgm

cs.LG↗

arXiv2025

CrediBench: Building Web-Scale Network Datasets for Information Integrity

Automatically assessing the credibility of online sources presents an invaluable tool for navigating today's information ecosystem. However, existing approaches either depend on scarce and costly human annotations, or focus exclusively on assessments at the level of individual claims. Misinformation often spreads via interlinked web domains, whose connections evolve over time. Focusing on claims alone ignores these structural and temporal credibility signals evident in the changing web topology. Existing datasets fail to capture these central modalities in web domain credibility prediction: namely, internet topology, temporality and text (webpage) content. To address this gap, we present CrediBench, a dataset containing eights months of web graph data; of which we analyze the three months surrounding the 2024 U.S. federal elections, a time of heightened misinformation propagation online. Each monthly snapshot contains over 40 million nodes, their scraped webpage content, and over 1 billion hyperlink edges. CrediBench supports credibility prediction as both a regression (continuous credibility score) and a binary classification task (credible or not). For classification, we curate a novel binary label set containing 662,575 web domains labelled for boolean credibility, spanning four areas (misinformation, crowd-sourced, malware and phishing). Our empirical experiments support that all task modalities-graph, text and time-contribute significantly to achieving the best performance. In particular, our multi-modal regression model trained on CrediBench outperforms other configurations and existing baselines, decreasing Mean Average Error from 0.162 to 0.107 on the regression task, while the multi-modal classifier improves accuracy from 56% to 85% on the classification one. CrediBench, our proposed web-scale multi-modal dataset, is available on Huggingface for future research.

cs.SI↗

arXiv2025

Self-Exploring Language Models for Explainable Link Forecasting on Temporal Graphs via Reinforcement Learning

Forecasting future links is a central task in temporal graph (TG) reasoning, requiring models to leverage historical interactions to predict upcoming ones. Traditional neural approaches, such as temporal graph neural networks, achieve strong performance but lack explainability and cannot be applied to unseen graphs without retraining. Recent studies have begun to explore using large language models (LLMs) for graph reasoning, but most of them are constrained to static graphs or small synthetic TGs and lack the evaluation of the quality of reasoning traces generated by LLMs. In this work, we present Reasoning-Enhanced Learning for Temporal Graphs (ReaL-TG), a reinforcement learning framework that fine-tunes LLMs to perform explainable link forecasting on real-world TGs. ReaL-TG uses outcome-based reward to encourage models to self-explore reasoning strategies from graph structure and to produce explanations that directly justify their predictions. To enable evaluation on LLM-generated reasoning traces, we propose a new evaluation protocol combining ranking metrics with an LLM-as-a-Judge system that assesses both the quality of reasoning and the impact of hallucinations. Experiments with ReaL-TG-4B, obtained by fine-tuning Qwen3-4B under our framework, show that it outperforms much larger frontier LLMs, including GPT-5 mini, on ranking metrics, while producing high-quality explanations confirmed by both the LLM judge and human evaluation.

cs.AI↗

arXiv2025

T-GRAB: A Synthetic Diagnostic Benchmark for Learning on Temporal Graphs

Dynamic graph learning methods have recently emerged as powerful tools for modelling relational data evolving through time. However, despite extensive benchmarking efforts, it remains unclear whether current Temporal Graph Neural Networks (TGNNs) effectively capture core temporal patterns such as periodicity, cause-and-effect, and long-range dependencies. In this work, we introduce the Temporal Graph Reasoning Benchmark (T-GRAB), a comprehensive set of synthetic tasks designed to systematically probe the capabilities of TGNNs to reason across time. T-GRAB provides controlled, interpretable tasks that isolate key temporal skills: counting/memorizing periodic repetitions, inferring delayed causal effects, and capturing long-range dependencies over both spatial and temporal dimensions. We evaluate 11 temporal graph learning methods on these tasks, revealing fundamental shortcomings in their ability to generalize temporal patterns. Our findings offer actionable insights into the limitations of current models, highlight challenges hidden by traditional real-world benchmarks, and motivate the development of architectures with stronger temporal reasoning abilities. The code for T-GRAB can be found at: https://github.com/alirezadizaji/T-GRAB.

cs.LG↗

arXiv2025

Relational Deep Learning: Challenges, Foundations and Next-Generation Architectures

Graph machine learning has led to a significant increase in the capabilities of models that learn on arbitrary graph-structured data and has been applied to molecules, social networks, recommendation systems, and transportation, among other domains. Data in multi-tabular relational databases can also be constructed as 'relational entity graphs' for Relational Deep Learning (RDL) - a new blueprint that enables end-to-end representation learning without traditional feature engineering. Compared to arbitrary graph-structured data, relational entity graphs have key properties: (i) their structure is defined by primary-foreign key relationships between entities in different tables, (ii) the structural connectivity is a function of the relational schema defining a database, and (iii) the graph connectivity is temporal and heterogeneous in nature. In this paper, we provide a comprehensive review of RDL by first introducing the representation of relational databases as relational entity graphs, and then reviewing public benchmark datasets that have been used to develop and evaluate recent GNN-based RDL models. We discuss key challenges including large-scale multi-table integration and the complexities of modeling temporal dynamics and heterogeneous data, while also surveying foundational neural network methods and recent architectural advances specialized for relational entity graphs. Finally, we explore opportunities to unify these distinct modeling challenges, highlighting how RDL converges multiple sub-fields in graph machine learning towards the design of foundation models that can transform the processing of relational data.

cs.LG↗

arXiv2025

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. While 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.

cs.CL↗

arXiv2024

ContextGNN: Beyond Two-Tower Recommendation Systems

Recommendation systems predominantly utilize two-tower architectures, which evaluate user-item rankings through the inner product of their respective embeddings. However, one key limitation of two-tower models is that they learn a pair-agnostic representation of users and items. In contrast, pair-wise representations either scale poorly due to their quadratic complexity or are too restrictive on the candidate pairs to rank. To address these issues, we introduce Context-based Graph Neural Networks (ContextGNNs), a novel deep learning architecture for link prediction in recommendation systems. The method employs a pair-wise representation technique for familiar items situated within a user's local subgraph, while leveraging two-tower representations to facilitate the recommendation of exploratory items. A final network then predicts how to fuse both pair-wise and two-tower recommendations into a single ranking of items. We demonstrate that ContextGNN is able to adapt to different data characteristics and outperforms existing methods, both traditional and GNN-based, on a diverse set of practical recommendation tasks, improving performance by 20% on average.

cs.IR↗

arXiv2024

Bright dipolar excitons in twisted black phosphorus homostructures

Bright dipolar excitons, which contain electrical dipoles and have high oscillator strength, are an ideal platform for studying correlated quantum phenomena. They usually rely on carrier tunneling between two quantum wells or two layers to hybridize with nondipolar excitons to gain oscillator strength. In this work, we uncovered a new type of bright infrared dipolar exciton by stacking 90{\deg}-twisted black phosphorus (BP) structures. These excitons, inherent to the reconstructed band structure, exhibit high oscillator strength. Most importantly, they inherit the linear polarization from BP, which allows light polarization to be used to select the dipole direction. Moreover, the dipole moment and resonance energy can be widely tuned by the thickness of the BP. Our results demonstrate a useful platform for exploring tunable correlated dipolar excitons.

cond-mat.mes-hall↗

arXiv2024

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 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.

cs.LG↗

arXiv2024

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 entities 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.

cs.LG↗

arXiv2024

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

Temporal Graph Learning (TGL) has become a robust framework for discovering patterns in dynamic networks and predicting future interactions. While existing research has largely concentrated on learning from individual networks, this study explores the potential of learning from multiple temporal networks and its ability to transfer to unobserved networks. To achieve this, we introduce Temporal Multi-network Training MiNT, a novel pre-training approach that learns from multiple temporal networks. With a novel collection of 84 temporal transaction networks, we pre-train TGL models on up to 64 networks and assess their transferability to 20 unseen networks. Remarkably, MiNT achieves state-of-the-art results in zero-shot inference, surpassing models individually trained on each network. Our findings further demonstrate that increasing the number of pre-training networks significantly improves transfer performance. This work lays the groundwork for developing Temporal Graph Foundation Models, highlighting the significant potential of multi-network pre-training in TGL.

cs.LG↗

arXiv2024

Temporal Graph Rewiring with Expander Graphs

Evolving relations in real-world networks are often modelled by temporal graphs. Temporal Graph Neural Networks (TGNNs) emerged to model evolutionary behaviour of such graphs by leveraging the message passing primitive at the core of Graph Neural Networks (GNNs). It is well-known that GNNs are vulnerable to several issues directly related to the input graph topology, such as under-reaching and over-squashing - we argue that these issues can often get exacerbated in temporal graphs, particularly as the result of stale nodes and edges. While graph rewiring techniques have seen frequent usage in GNNs to make the graph topology more favourable for message passing, they have not seen any mainstream usage on TGNNs. In this work, we propose Temporal Graph Rewiring (TGR), the first approach for graph rewiring on temporal graphs, to the best of our knowledge. TGR constructs message passing highways between temporally distant nodes in a continuous-time dynamic graph by utilizing expander graph propagation, a prominent framework used for graph rewiring on static graphs which makes minimal assumptions on the underlying graph structure. On the challenging TGB benchmark, TGR achieves state-of-the-art results on tgbl-review, tgbl-coin, tgbl-comment and tgbl-flight datasets at the time of writing. For tgbl-review, TGR has 50.5% improvement in MRR over the base TGN model and 22.2% improvement over the base TNCN model. The significant improvement over base models demonstrates clear benefits of temporal graph rewiring.

cs.LG↗

arXiv2024

$\texttt{MiniMol}$: A Parameter-Efficient Foundation Model for Molecular Learning

In biological tasks, data is rarely plentiful as it is generated from hard-to-gather measurements. Therefore, pre-training foundation models on large quantities of available data and then transfer to low-data downstream tasks is a promising direction. However, how to design effective foundation models for molecular learning remains an open question, with existing approaches typically focusing on models with large parameter capacities. In this work, we propose $\texttt{MiniMol}$, a foundational model for molecular learning with 10 million parameters. $\texttt{MiniMol}$ is pre-trained on a mix of roughly 3300 sparsely defined graph- and node-level tasks of both quantum and biological nature. The pre-training dataset includes approximately 6 million molecules and 500 million labels. To demonstrate the generalizability of $\texttt{MiniMol}$ across tasks, we evaluate it on downstream tasks from the Therapeutic Data Commons (TDC) ADMET group showing significant improvements over the prior state-of-the-art foundation model across 17 tasks. $\texttt{MiniMol}$ will be a public and open-sourced model for future research.

cs.LG↗

arXiv2024

Temporal Graph Analysis with TGX

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed 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.

cs.SI↗

arXiv2024

Pressure-induced color change arising from transformation between intra- and inter-band transitions in LuH$_{2\pm x}$N$_{y}$

The pressure-induced color change in the nitrogen-doped lutetium hydride has triggered extensive discussions about the underlying physics. Here, we study the optical response of LuH$_{2 \pm x}$N$_{y}$ in a broad frequency range at ambient pressure and its evolution with pressure in the visible spectral range. The broad-band optical spectra at ambient pressure reveal a Drude component associated with intra-band electronic transitions and two Lorentz components (L1 and L2) arising from inter-band electronic transitions. The application of pressure causes a spectral weight transfer from L1 to the Drude component, leading to a blue shift of the plasma edge in the reflectivity spectrum alongside a reduction of the high-frequency reflectivity. Our results suggest that the pressure-induced color change in LuH$_{2 \pm x}$N$_{y}$ is closely related to the transformation between intra- and inter-band electronic transitions, providing new insights into the mechanism of the pressure-induced color change in LuH$_{2 \pm x}$N$_{y}$.

cond-mat.supr-con↗

arXiv2023

Understanding Opinions Towards Climate Change on Social Media

Social media platforms such as Twitter (now known as X) have revolutionized how the public engage with important societal and political topics. Recently, climate change discussions on social media became a catalyst for political polarization and the spreading of misinformation. In this work, we aim to understand how real world events influence the opinions of individuals towards climate change related topics on social media. To this end, we extracted and analyzed a dataset of 13.6 millions tweets sent by 3.6 million users from 2006 to 2019. Then, we construct a temporal graph from the user-user mentions network and utilize the Louvain community detection algorithm to analyze the changes in community structure around Conference of the Parties on Climate Change~(COP) events. Next, we also apply tools from the Natural Language Processing literature to perform sentiment analysis and topic modeling on the tweets. Our work acts as a first step towards understanding the evolution of pro-climate change communities around COP events. Answering these questions helps us understand how to raise people's awareness towards climate change thus hopefully calling on more individuals to join the collaborative effort in slowing down climate change.

cs.SI↗

arXiv2023

Dephasing of Strong-Field-Driven Floquet States Revealed by Time- and Spectrum-Resolved Quantum-Path Interferometry

Floquet engineering, while a powerful tool for ultrafast quantum-state manipulation, faces challenges under strong-field conditions, as recent high harmonic generation studies unveil exceptionally short dephasing times. In this study, using time- and spectrum-resolved quantum-path interferometry, we investigate the dephasing mechanisms of terahertz-driven excitons. Our results reveal a dramatic increase in exciton dephasing rate beyond a threshold field strength, indicating exciton dissociation as the primary dephasing mechanism. Importantly, we demonstrate long dephasing times of strong-field-dressed excitons, supporting coherent strong-field manipulation of quantum materials.

physics.optics↗

arXiv2023

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where 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.

cs.LG↗