Neil Shah

Juanhui Li, Harry Shomer, Haitao Mao et al.

Link prediction attempts to predict whether an unseen edge exists based on only a portion of edges of a graph. A flurry of methods have been introduced in recent years that attempt to make use of graph neural networks (GNNs) for this task. Furthermore, new and diverse datasets have also been created to better evaluate the effectiveness of these new models. However, multiple pitfalls currently exist that hinder our ability to properly evaluate these new methods. These pitfalls mainly include: (1) Lower than actual performance on multiple baselines, (2) A lack of a unified data split and evaluation metric on some datasets, and (3) An unrealistic evaluation setting that uses easy negative samples. To overcome these challenges, we first conduct a fair comparison across prominent methods and datasets, utilizing the same dataset and hyperparameter search settings. We then create a more practical evaluation setting based on a Heuristic Related Sampling Technique (HeaRT), which samples hard negative samples via multiple heuristics. The new evaluation setting helps promote new challenges and opportunities in link prediction by aligning the evaluation with real-world situations. Our implementation and data are available at https://github.com/Juanhui28/HeaRT

Wei Jin, Tong Zhao, Jiayuan Ding et al.

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by issues related to data quality, such as distribution shift, abnormal features and adversarial attacks. Recent efforts have been made on tackling these issues from a modeling perspective which requires additional cost of changing model architectures or re-training model parameters. In this work, we provide a data-centric view to tackle these issues and propose a graph transformation framework named GTrans which adapts and refines graph data at test time to achieve better performance. We provide theoretical analysis on the design of the framework and discuss why adapting graph data works better than adapting the model. Extensive experiments have demonstrated the effectiveness of GTrans on three distinct scenarios for eight benchmark datasets where suboptimal data is presented. Remarkably, GTrans performs the best in most cases with improvements up to 2.8%, 8.2% and 3.8% over the best baselines on three experimental settings. Code is released at https://github.com/ChandlerBang/GTrans.

Juanhui Li, Harry Shomer, Jiayuan Ding et al.

Knowledge graphs (KGs) facilitate a wide variety of applications. Despite great efforts in creation and maintenance, even the largest KGs are far from complete. Hence, KG completion (KGC) has become one of the most crucial tasks for KG research. Recently, considerable literature in this space has centered around the use of Message Passing (Graph) Neural Networks (MPNNs), to learn powerful embeddings. The success of these methods is naturally attributed to the use of MPNNs over simpler multi-layer perceptron (MLP) models, given their additional message passing (MP) component. In this work, we find that surprisingly, simple MLP models are able to achieve comparable performance to MPNNs, suggesting that MP may not be as crucial as previously believed. With further exploration, we show careful scoring function and loss function design has a much stronger influence on KGC model performance. This suggests a conflation of scoring function design, loss function design, and MP in prior work, with promising insights regarding the scalability of state-of-the-art KGC methods today, as well as careful attention to more suitable MP designs for KGC tasks tomorrow. Our codes are publicly available at: https://github.com/Juanhui28/Are_MPNNs_helpful.

Lingxiao Zhao, Louis Härtel, Neil Shah et al.

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman (1-WL) test in distinguishing graphs in a graph isomorphism testing frame-work. To this end, researchers have drawn inspiration from the k-WL hierarchy to develop more expressive GNNs. However, current k-WL-equivalent GNNs are not practical for even small values of k, as k-WL becomes combinatorially more complex as k grows. At the same time, several works have found great empirical success in graph learning tasks without highly expressive models, implying that chasing expressiveness with a coarse-grained ruler of expressivity like k-WL is often unneeded in practical tasks. To truly understand the expressiveness-complexity tradeoff, one desires a more fine-grained ruler, which can more gradually increase expressiveness. Our work puts forth such a proposal: Namely, we first propose the (k, c)(<=)-SETWL hierarchy with greatly reduced complexity from k-WL, achieved by moving from k-tuples of nodes to sets with <=k nodes defined over <=c connected components in the induced original graph. We show favorable theoretical results for this model in relation to k-WL, and concretize it via (k, c)(<=)-SETGNN, which is as expressive as (k, c)(<=)-SETWL. Our model is practical and progressively-expressive, increasing in power with k and c. We demonstrate effectiveness on several benchmark datasets, achieving several state-of-the-art results with runtime and memory usage applicable to practical graphs. We open source our implementation at https://github.com/LingxiaoShawn/KCSetGNN.

Mingxuan Ju, Tong Zhao, Qianlong Wen et al.

Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. To enhance the task generalization across tasks, as an important first step forward in exploring fundamental graph models, we introduce PARETOGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, PARETOGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that PARETOGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performances, demonstrating that PARETOGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies. Our code is publicly available at https://github.com/jumxglhf/ParetoGNN.

Xiaotian Han, Tong Zhao, Yozen Liu et al.

Training graph neural networks (GNNs) on large graphs is complex and extremely time consuming. This is attributed to overheads caused by sparse matrix multiplication, which are sidestepped when training multi-layer perceptrons (MLPs) with only node features. MLPs, by ignoring graph context, are simple and faster for graph data, however they usually sacrifice prediction accuracy, limiting their applications for graph data. We observe that for most message passing-based GNNs, we can trivially derive an analog MLP (we call this a PeerMLP) with an equivalent weight space, by setting the trainable parameters with the same shapes, making us curious about \textbf{\emph{how do GNNs using weights from a fully trained PeerMLP perform?}} Surprisingly, we find that GNNs initialized with such weights significantly outperform their PeerMLPs, motivating us to use PeerMLP training as a precursor, initialization step to GNN training. To this end, we propose an embarrassingly simple, yet hugely effective initialization method for GNN training acceleration, called MLPInit. Our extensive experiments on multiple large-scale graph datasets with diverse GNN architectures validate that MLPInit can accelerate the training of GNNs (up to 33X speedup on OGB-Products) and often improve prediction performance (e.g., up to $7.97\%$ improvement for GraphSAGE across $7$ datasets for node classification, and up to $17.81\%$ improvement across $4$ datasets for link prediction on metric Hits@10). The code is available at \href{https://github.com/snap-research/MLPInit-for-GNNs}.

Haitao Mao, Zhikai Chen, Wei Jin et al.

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world homophilic and heterophilic graphs are comprised of a mixture of nodes in both homophilic and heterophilic structural patterns, exhibiting a structural disparity. However, the analysis of GNN performance with respect to nodes exhibiting different structural patterns, e.g., homophilic nodes in heterophilic graphs, remains rather limited. In the present study, we provide evidence that Graph Neural Networks(GNNs) on node classification typically perform admirably on homophilic nodes within homophilic graphs and heterophilic nodes within heterophilic graphs while struggling on the opposite node set, exhibiting a performance disparity. We theoretically and empirically identify effects of GNNs on testing nodes exhibiting distinct structural patterns. We then propose a rigorous, non-i.i.d PAC-Bayesian generalization bound for GNNs, revealing reasons for the performance disparity, namely the aggregated feature distance and homophily ratio difference between training and testing nodes. Furthermore, we demonstrate the practical implications of our new findings via (1) elucidating the effectiveness of deeper GNNs; and (2) revealing an over-looked distribution shift factor on graph out-of-distribution problem and proposing a new scenario accordingly.

Zhichun Guo, William Shiao, Shichang Zhang et al.

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GNNs due to the lack of relational knowledge. In this work, to combine the advantages of GNNs and MLPs, we start with exploring direct knowledge distillation (KD) methods for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP), to distill knowledge for link prediction with MLPs. Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose rank-based matching and distribution-based matching strategies that complement each other. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 7 out of 8 benchmarks. LLP also achieves a 70.68x speedup in link prediction inference compared to GNNs on the large-scale OGB dataset.

Mingxuan Ju, Tong Zhao, Wenhao Yu et al.

Recent studies have shown that graph neural networks (GNNs) exhibit strong biases towards the node degree: they usually perform satisfactorily on high-degree nodes with rich neighbor information but struggle with low-degree nodes. Existing works tackle this problem by deriving either designated GNN architectures or training strategies specifically for low-degree nodes. Though effective, these approaches unintentionally create an artificial out-of-distribution scenario, where models mainly or even only observe low-degree nodes during the training, leading to a downgraded performance for high-degree nodes that GNNs originally perform well at. In light of this, we propose a test-time augmentation framework, namely GraphPatcher, to enhance test-time generalization of any GNNs on low-degree nodes. Specifically, GraphPatcher iteratively generates virtual nodes to patch artificially created low-degree nodes via corruptions, aiming at progressively reconstructing target GNN's predictions over a sequence of increasingly corrupted nodes. Through this scheme, GraphPatcher not only learns how to enhance low-degree nodes (when the neighborhoods are heavily corrupted) but also preserves the original superior performance of GNNs on high-degree nodes (when lightly corrupted). Additionally, GraphPatcher is model-agnostic and can also mitigate the degree bias for either self-supervised or supervised GNNs. Comprehensive experiments are conducted over seven benchmark datasets and GraphPatcher consistently enhances common GNNs' overall performance by up to 3.6% and low-degree performance by up to 6.5%, significantly outperforming state-of-the-art baselines. The source code is publicly available at https://github.com/jumxglhf/GraphPatcher.

Yu Wang, Tong Zhao, Yuying Zhao et al.

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

Rishav Chourasia, Neil Shah

Unlearning algorithms aim to remove deleted data's influence from trained models at a cost lower than full retraining. However, prior guarantees of unlearning in literature are flawed and don't protect the privacy of deleted records. We show that when users delete their data as a function of published models, records in a database become interdependent. So, even retraining a fresh model after deletion of a record doesn't ensure its privacy. Secondly, unlearning algorithms that cache partial computations to speed up the processing can leak deleted information over a series of releases, violating the privacy of deleted records in the long run. To address these, we propose a sound deletion guarantee and show that the privacy of existing records is necessary for the privacy of deleted records. Under this notion, we propose an accurate, computationally efficient, and secure machine unlearning algorithm based on noisy gradient descent.

William Shiao, Zhichun Guo, Tong Zhao et al.

A recent focal area in the space of graph neural networks (GNNs) is graph self-supervised learning (SSL), which aims to derive useful node representations without labeled data. Notably, many state-of-the-art graph SSL methods are contrastive methods, which use a combination of positive and negative samples to learn node representations. Owing to challenges in negative sampling (slowness and model sensitivity), recent literature introduced non-contrastive methods, which instead only use positive samples. Though such methods have shown promising performance in node-level tasks, their suitability for link prediction tasks, which are concerned with predicting link existence between pairs of nodes (and have broad applicability to recommendation systems contexts) is yet unexplored. In this work, we extensively evaluate the performance of existing non-contrastive methods for link prediction in both transductive and inductive settings. While most existing non-contrastive methods perform poorly overall, we find that, surprisingly, BGRL generally performs well in transductive settings. However, it performs poorly in the more realistic inductive settings where the model has to generalize to links to/from unseen nodes. We find that non-contrastive models tend to overfit to the training graph and use this analysis to propose T-BGRL, a novel non-contrastive framework that incorporates cheap corruptions to improve the generalization ability of the model. This simple modification strongly improves inductive performance in 5/6 of our datasets, with up to a 120% improvement in Hits@50--all with comparable speed to other non-contrastive baselines and up to 14x faster than the best-performing contrastive baseline. Our work imparts interesting findings about non-contrastive learning for link prediction and paves the way for future researchers to further expand upon this area.

William Shiao, Uday Singh Saini, Yozen Liu et al.

Self-supervised learning on graphs has made large strides in achieving great performance in various downstream tasks. However, many state-of-the-art methods suffer from a number of impediments, which prevent them from realizing their full potential. For instance, contrastive methods typically require negative sampling, which is often computationally costly. While non-contrastive methods avoid this expensive step, most existing methods either rely on overly complex architectures or dataset-specific augmentations. In this paper, we ask: Can we borrow from classical unsupervised machine learning literature in order to overcome those obstacles? Guided by our key insight that the goal of distance-based clustering closely resembles that of contrastive learning: both attempt to pull representations of similar items together and dissimilar items apart. As a result, we propose CARL-G - a novel clustering-based framework for graph representation learning that uses a loss inspired by Cluster Validation Indices (CVIs), i.e., internal measures of cluster quality (no ground truth required). CARL-G is adaptable to different clustering methods and CVIs, and we show that with the right choice of clustering method and CVI, CARL-G outperforms node classification baselines on 4/5 datasets with up to a 79x training speedup compared to the best-performing baseline. CARL-G also performs at par or better than baselines in node clustering and similarity search tasks, training up to 1,500x faster than the best-performing baseline. Finally, we also provide theoretical foundations for the use of CVI-inspired losses in graph representation learning.

Yiwei Wang, Bryan Hooi, Yozen Liu et al.

Link prediction (LP) has been recognized as an important task in graph learning with its broad practical applications. A typical application of LP is to retrieve the top scoring neighbors for a given source node, such as the friend recommendation. These services desire the high inference scalability to find the top scoring neighbors from many candidate nodes at low latencies. There are two popular decoders that the recent LP models mainly use to compute the edge scores from node embeddings: the HadamardMLP and Dot Product decoders. After theoretical and empirical analysis, we find that the HadamardMLP decoders are generally more effective for LP. However, HadamardMLP lacks the scalability for retrieving top scoring neighbors on large graphs, since to the best of our knowledge, there does not exist an algorithm to retrieve the top scoring neighbors for HadamardMLP decoders in sublinear complexity. To make HadamardMLP scalable, we propose the Flashlight algorithm to accelerate the top scoring neighbor retrievals for HadamardMLP: a sublinear algorithm that progressively applies approximate maximum inner product search (MIPS) techniques with adaptively adjusted query embeddings. Empirical results show that Flashlight improves the inference speed of LP by more than 100 times on the large OGBL-CITATION2 dataset without sacrificing effectiveness. Our work paves the way for large-scale LP applications with the effective HadamardMLP decoders by greatly accelerating their inference.

Haitao Mao, Juanhui Li, Harry Shomer et al.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

Runjin Chen, Tong Zhao, Ajay Jaiswal et al.

Graph Neural Networks (GNNs) have empowered the advance in graph-structured data analysis. Recently, the rise of Large Language Models (LLMs) like GPT-4 has heralded a new era in deep learning. However, their application to graph data poses distinct challenges due to the inherent difficulty of translating graph structures to language. To this end, we introduce the Large Language and Graph Assistant (LLaGA), an innovative model that effectively integrates LLM capabilities to handle the complexities of graph-structured data. LLaGA retains the general-purpose nature of LLMs while adapting graph data into a format compatible with LLM input. LLaGA achieves this by reorganizing graph nodes to structure-aware sequences and then mapping these into the token embedding space through a versatile projector. LLaGA excels in versatility, generalizability and interpretability, allowing it to perform consistently well across different datasets and tasks, extend its ability to unseen datasets or tasks, and provide explanations for graphs. Our extensive experiments across popular graph benchmarks show that LLaGA delivers outstanding performance across four datasets and three tasks using one single model, surpassing state-of-the-art graph models in both supervised and zero-shot scenarios. Our code is available at \url{https://github.com/VITA-Group/LLaGA}.

Neha Sahipjohn, Neil Shah, Vishal Tambrahalli et al.

Significant progress has been made in speaker dependent Lip-to-Speech synthesis, which aims to generate speech from silent videos of talking faces. Current state-of-the-art approaches primarily employ non-autoregressive sequence-to-sequence architectures to directly predict mel-spectrograms or audio waveforms from lip representations. We hypothesize that the direct mel-prediction hampers training/model efficiency due to the entanglement of speech content with ambient information and speaker characteristics. To this end, we propose RobustL2S, a modularized framework for Lip-to-Speech synthesis. First, a non-autoregressive sequence-to-sequence model maps self-supervised visual features to a representation of disentangled speech content. A vocoder then converts the speech features into raw waveforms. Extensive evaluations confirm the effectiveness of our setup, achieving state-of-the-art performance on the unconstrained Lip2Wav dataset and the constrained GRID and TCD-TIMIT datasets. Speech samples from RobustL2S can be found at https://neha-sherin.github.io/RobustL2S/

Matthew Kolodner, Mingxuan Ju, Zihao Fan et al.

Improving recommendation systems (RS) can greatly enhance the user experience across many domains, such as social media. Many RS utilize embedding-based retrieval (EBR) approaches to retrieve candidates for recommendation. In an EBR system, the embedding quality is key. According to recent literature, self-supervised multitask learning (SSMTL) has showed strong performance on academic benchmarks in embedding learning and resulted in an overall improvement in multiple downstream tasks, demonstrating a larger resilience to the adverse conditions between each downstream task and thereby increased robustness and task generalization ability through the training objective. However, whether or not the success of SSMTL in academia as a robust training objectives translates to large-scale (i.e., over hundreds of million users and interactions in-between) industrial RS still requires verification. Simply adopting academic setups in industrial RS might entail two issues. Firstly, many self-supervised objectives require data augmentations (e.g., embedding masking/corruption) over a large portion of users and items, which is prohibitively expensive in industrial RS. Furthermore, some self-supervised objectives might not align with the recommendation task, which might lead to redundant computational overheads or negative transfer. In light of these two challenges, we evaluate using a robust training objective, specifically SSMTL, through a large-scale friend recommendation system on a social media platform in the tech sector, identifying whether this increase in robustness can work at scale in enhancing retrieval in the production setting. Through online A/B testing with SSMTL-based EBR, we observe statistically significant increases in key metrics in the friend recommendations, with up to 5.45% improvements in new friends made and 1.91% improvements in new friends made with cold-start users.

Neil Shah, Shirish Karande, Vineet Gandhi

We propose a novel approach to significantly improve the intelligibility in the Non-Audible Murmur (NAM)-to-speech conversion task, leveraging self-supervision and sequence-to-sequence (Seq2Seq) learning techniques. Unlike conventional methods that explicitly record ground-truth speech, our methodology relies on self-supervision and speech-to-speech synthesis to simulate ground-truth speech. Despite utilizing simulated speech, our method surpasses the current state-of-the-art (SOTA) by 29.08% improvement in the Mel-Cepstral Distortion (MCD) metric. Additionally, we present error rates and demonstrate our model's proficiency to synthesize speech in novel voices of interest. Moreover, we present a methodology for augmenting the existing CSTR NAM TIMIT Plus corpus, setting a benchmark with a Word Error Rate (WER) of 42.57% to gauge the intelligibility of the synthesized speech. Speech samples can be found at https://nam2speech.github.io/NAM2Speech/

Clark Mingxuan Ju, Leonardo Neves, Bhuvesh Kumar et al.

Sequential recommendation is a popular paradigm in modern recommender systems. In particular, one challenging problem in this space is cross-domain sequential recommendation (CDSR), which aims to predict future behaviors given user interactions across multiple domains. Existing CDSR frameworks are mostly built on the self-attention transformer and seek to improve by explicitly injecting additional domain-specific components (e.g. domain-aware module blocks). While these additional components help, we argue they overlook the core self-attention module already present in the transformer, a naturally powerful tool to learn correlations among behaviors. In this work, we aim to improve the CDSR performance for simple models from a novel perspective of enhancing the self-attention. Specifically, we introduce a Pareto-optimal self-attention and formulate the cross-domain learning as a multi-objective problem, where we optimize the recommendation task while dynamically minimizing the cross-domain attention scores. Our approach automates knowledge transfer in CDSR (dubbed as AutoCDSR) -- it not only mitigates negative transfer but also encourages complementary knowledge exchange among auxiliary domains. Based on the idea, we further introduce AutoCDSR+, a more performant variant with slight additional cost. Our proposal is easy to implement and works as a plug-and-play module that can be incorporated into existing transformer-based recommenders. Besides flexibility, it is practical to deploy because it brings little extra computational overheads without heavy hyper-parameter tuning. AutoCDSR on average improves Recall@10 for SASRec and Bert4Rec by 9.8% and 16.0% and NDCG@10 by 12.0% and 16.7%, respectively. Code is available at https://github.com/snap-research/AutoCDSR.

Qiyao Ma, Menglin Yang, Mingxuan Ju et al.

Modern recommender systems often create information cocoons, restricting users' exposure to diverse content. A key challenge lies in balancing content exploration and exploitation while allowing users to adjust their recommendation preferences. Intuitively, this balance can be modeled as a tree-structured representation, where depth search facilitates exploitation and breadth search enables exploration. However, existing approaches face two fundamental limitations: Euclidean methods struggle to capture hierarchical structures, while hyperbolic methods, despite their superior hierarchical modeling, lack semantic understanding of user and item profiles and fail to provide a principled mechanism for balancing exploration and exploitation. To address these challenges, we propose HERec, a hyperbolic graph-LLM framework that effectively balances exploration and exploitation in recommender systems. Our framework introduces two key innovations: (1) a semantic-enhanced hierarchical mechanism that aligns rich textual descriptions processed by large language models (LLMs) with collaborative information directly in hyperbolic space, allowing for more nuanced updates that respect the underlying hierarchical structure in user-item profiles; (2) an automatic hierarchical representation by optimizing Dasgupta's cost, which discovers hierarchical structures without requiring predefined hyperparameters, enabling user-adjustable exploration-exploitation trade-offs. Extensive experiments demonstrate that HERec consistently outperforms both Euclidean and hyperbolic baselines, achieving up to 5.49% improvement in utility metrics and 11.39% increase in diversity metrics, effectively mitigating information cocoons. We open-source our model implementation at https://github.com/Martin-qyma/HERec.

Yu Wang, Yuying Zhao, Neil Shah et al.

Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns with many real-world scenarios in which some classes have much fewer labels than others. Directly training GNNs under this imbalanced scenario may lead to uninformative representations of graphs in minority classes, and compromise the overall classification performance, which signifies the importance of developing effective GNNs towards handling imbalanced graph classification. Existing methods are either tailored for non-graph structured data or designed specifically for imbalanced node classification while few focus on imbalanced graph classification. To this end, we introduce a novel framework, Graph-of-Graph Neural Networks (G$^2$GNN), which alleviates the graph imbalance issue by deriving extra supervision globally from neighboring graphs and locally from stochastic augmentations of graphs. Globally, we construct a graph of graphs (GoG) based on kernel similarity and perform GoG propagation to aggregate neighboring graph representations. Locally, we employ topological augmentation via masking node features or dropping edges with self-consistency regularization to generate stochastic augmentations of each graph that improve the model generalibility. Extensive graph classification experiments conducted on seven benchmark datasets demonstrate our proposed G$^2$GNN outperforms numerous baselines by roughly 5\% in both F1-macro and F1-micro scores. The implementation of G$^2$GNN is available at https://github.com/YuWVandy/G2GNN}{https://github.com/YuWVandy/G2GNN

Wei Jin, Lingxiao Zhao, Shichang Zhang et al.

Given the prevalence of large-scale graphs in real-world applications, the storage and time for training neural models have raised increasing concerns. To alleviate the concerns, we propose and study the problem of graph condensation for graph neural networks (GNNs). Specifically, we aim to condense the large, original graph into a small, synthetic and highly-informative graph, such that GNNs trained on the small graph and large graph have comparable performance. We approach the condensation problem by imitating the GNN training trajectory on the original graph through the optimization of a gradient matching loss and design a strategy to condense node futures and structural information simultaneously. Extensive experiments have demonstrated the effectiveness of the proposed framework in condensing different graph datasets into informative smaller graphs. In particular, we are able to approximate the original test accuracy by 95.3% on Reddit, 99.8% on Flickr and 99.0% on Citeseer, while reducing their graph size by more than 99.9%, and the condensed graphs can be used to train various GNN architectures.Code is released at https://github.com/ChandlerBang/GCond.

Wei Jin, Xiaorui Liu, Xiangyu Zhao et al.

Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that different pretext tasks affect downstream tasks differently cross datasets, which suggests that searching pretext tasks is crucial for graph self-supervised learning. Different from existing works focusing on designing single pretext tasks, this work aims to investigate how to automatically leverage multiple pretext tasks effectively. Nevertheless, evaluating representations derived from multiple pretext tasks without direct access to ground truth labels makes this problem challenging. To address this obstacle, we make use of a key principle of many real-world graphs, i.e., homophily, or the principle that "like attracts like," as the guidance to effectively search various self-supervised pretext tasks. We provide theoretical understanding and empirical evidence to justify the flexibility of homophily in this search task. Then we propose the AutoSSL framework which can automatically search over combinations of various self-supervised tasks. By evaluating the framework on 7 real-world datasets, our experimental results show that AutoSSL can significantly boost the performance on downstream tasks including node clustering and node classification compared with training under individual tasks. Code is released at https://github.com/ChandlerBang/AutoSSL.

Haitao Mao, Zhikai Chen, Wenzhuo Tang et al. · deepmind

Graph Foundation Models (GFMs) are emerging as a significant research topic in the graph domain, aiming to develop graph models trained on extensive and diverse data to enhance their applicability across various tasks and domains. Developing GFMs presents unique challenges over traditional Graph Neural Networks (GNNs), which are typically trained from scratch for specific tasks on particular datasets. The primary challenge in constructing GFMs lies in effectively leveraging vast and diverse graph data to achieve positive transfer. Drawing inspiration from existing foundation models in the CV and NLP domains, we propose a novel perspective for the GFM development by advocating for a ``graph vocabulary'', in which the basic transferable units underlying graphs encode the invariance on graphs. We ground the graph vocabulary construction from essential aspects including network analysis, expressiveness, and stability. Such a vocabulary perspective can potentially advance the future GFM design in line with the neural scaling laws. All relevant resources with GFM design can be found here.

Runjin Chen, Mingxuan Ju, Ngoc Bui et al.

Generative recommendation systems, driven by large language models (LLMs), present an innovative approach to predicting user preferences by modeling items as token sequences and generating recommendations in a generative manner. A critical challenge in this approach is the effective tokenization of items, ensuring that they are represented in a form compatible with LLMs. Current item tokenization methods include using text descriptions, numerical strings, or sequences of discrete tokens. While text-based representations integrate seamlessly with LLM tokenization, they are often too lengthy, leading to inefficiencies and complicating accurate generation. Numerical strings, while concise, lack semantic depth and fail to capture meaningful item relationships. Tokenizing items as sequences of newly defined tokens has gained traction, but it often requires external models or algorithms for token assignment. These external processes may not align with the LLM's internal pretrained tokenization schema, leading to inconsistencies and reduced model performance. To address these limitations, we propose a self-improving item tokenization method that allows the LLM to refine its own item tokenizations during training process. Our approach starts with item tokenizations generated by any external model and periodically adjusts these tokenizations based on the LLM's learned patterns. Such alignment process ensures consistency between the tokenization and the LLM's internal understanding of the items, leading to more accurate recommendations. Furthermore, our method is simple to implement and can be integrated as a plug-and-play enhancement into existing generative recommendation systems. Experimental results on multiple datasets and using various initial tokenization strategies demonstrate the effectiveness of our method, with an average improvement of 8\% in recommendation performance.

Mingxuan Ju, William Shiao, Zhichun Guo et al.

Collaborative filtering (CF) has exhibited prominent results for recommender systems and been broadly utilized for real-world applications. A branch of research enhances CF methods by message passing used in graph neural networks, due to its strong capabilities of extracting knowledge from graph-structured data, like user-item bipartite graphs that naturally exist in CF. They assume that message passing helps CF methods in a manner akin to its benefits for graph-based learning tasks in general. However, even though message passing empirically improves CF, whether or not this assumption is correct still needs verification. To address this gap, we formally investigate why message passing helps CF from multiple perspectives and show that many assumptions made by previous works are not entirely accurate. With our curated ablation studies and theoretical analyses, we discover that (1) message passing improves the CF performance primarily by additional representations passed from neighbors during the forward pass instead of additional gradient updates to neighbor representations during the model back-propagation and (ii) message passing usually helps low-degree nodes more than high-degree nodes. Utilizing these novel findings, we present Test-time Aggregation for CF, namely TAG-CF, a test-time augmentation framework that only conducts message passing once at inference time. The key novelty of TAG-CF is that it effectively utilizes graph knowledge while circumventing most of notorious computational overheads of message passing. Besides, TAG-CF is extremely versatile can be used as a plug-and-play module to enhance representations trained by different CF supervision signals. Evaluated on six datasets, TAG-CF consistently improves the recommendation performance of CF methods without graph by up to 39.2% on cold users and 31.7% on all users, with little to no extra computational overheads.

Vijay Prakash Dwivedi, Yozen Liu, Anh Tuan Luu et al.

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the computational feasibility of the global attention mechanism is possible. The next goal is to scale up these architectures to handle very large graphs on the scale of millions or even billions of nodes. With large-scale graphs, global attention learning is proven impractical due to its quadratic complexity w.r.t. the number of nodes. On the other hand, neighborhood sampling techniques become essential to manage large graph sizes, yet finding the optimal trade-off between speed and accuracy with sampling techniques remains challenging. This work advances representation learning on single large-scale graphs with a focus on identifying model characteristics and critical design constraints for developing scalable graph transformer (GT) architectures. We argue such GT requires layers that can adeptly learn both local and global graph representations while swiftly sampling the graph topology. As such, a key innovation of this work lies in the creation of a fast neighborhood sampling technique coupled with a local attention mechanism that encompasses a 4-hop reception field, but achieved through just 2-hop operations. This local node embedding is then integrated with a global node embedding, acquired via another self-attention layer with an approximate global codebook, before finally sent through a downstream layer for node predictions. The proposed GT framework, named LargeGT, overcomes previous computational bottlenecks and is validated on three large-scale node classification benchmarks. We report a 3x speedup and 16.8% performance gain on ogbn-products and snap-patents, while we also scale LargeGT on ogbn-papers100M with a 5.9% performance improvement.

Jingzhe Liu, Haitao Mao, Zhikai Chen et al.

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from scratch on each dataset, leading to an expertise-intensive process with difficulty in generalizing across graphs from different domains. Therefore, it can be hard for practitioners to infer which GNN model can generalize well to graphs from their domains. To address this challenge, we propose a novel cross-domain pretraining framework, "one model for one graph," which overcomes the limitations of previous approaches that failed to use a single GNN to capture diverse graph patterns across domains with significant gaps. Specifically, we pretrain a bank of expert models, with each one corresponding to a specific dataset. When inferring to a new graph, gating functions choose a subset of experts to effectively integrate prior model knowledge while avoiding negative transfer. Extensive experiments consistently demonstrate the superiority of our proposed method on both link prediction and node classification tasks.

Jingzhe Liu, Haitao Mao, Zhikai Chen et al.

Deep graph models (e.g., graph neural networks and graph transformers) have become important techniques for leveraging knowledge across various types of graphs. Yet, the neural scaling laws on graphs, i.e., how the performance of deep graph models changes with model and dataset sizes, have not been systematically investigated, casting doubts on the feasibility of achieving large graph models. To fill this gap, we benchmark many graph datasets from different tasks and make an attempt to establish the neural scaling laws on graphs from both model and data perspectives. The model size we investigated is up to 100 million parameters, and the dataset size investigated is up to 50 million samples. We first verify the validity of such laws on graphs, establishing proper formulations to describe the scaling behaviors. For model scaling, we identify that despite the parameter numbers, the model depth also plays an important role in affecting the model scaling behaviors, which differs from observations in other domains such as CV and NLP. For data scaling, we suggest that the number of graphs can not effectively measure the graph data volume in scaling law since the sizes of different graphs are highly irregular. Instead, we reform the data scaling law with the number of nodes or edges as the metric to address the irregular graph sizes. We further demonstrate that the reformed law offers a unified view of the data scaling behaviors for various fundamental graph tasks including node classification, link prediction, and graph classification. This work provides valuable insights into neural scaling laws on graphs, which can serve as an important tool for collecting new graph data and developing large graph models.

Zhichun Guo, Tong Zhao, Yozen Liu et al.

Graph Neural Networks (GNNs) are prominent in graph machine learning and have shown state-of-the-art performance in Link Prediction (LP) tasks. Nonetheless, recent studies show that GNNs struggle to produce good results on low-degree nodes despite their overall strong performance. In practical applications of LP, like recommendation systems, improving performance on low-degree nodes is critical, as it amounts to tackling the cold-start problem of improving the experiences of users with few observed interactions. In this paper, we investigate improving GNNs' LP performance on low-degree nodes while preserving their performance on high-degree nodes and propose a simple yet surprisingly effective augmentation technique called NodeDup. Specifically, NodeDup duplicates low-degree nodes and creates links between nodes and their own duplicates before following the standard supervised LP training scheme. By leveraging a ''multi-view'' perspective for low-degree nodes, NodeDup shows significant LP performance improvements on low-degree nodes without compromising any performance on high-degree nodes. Additionally, as a plug-and-play augmentation module, NodeDup can be easily applied to existing GNNs with very light computational cost. Extensive experiments show that NodeDup achieves 38.49%, 13.34%, and 6.76% improvements on isolated, low-degree, and warm nodes, respectively, on average across all datasets compared to GNNs and state-of-the-art cold-start methods.

Neil Shah, Shirish Karande, Vineet Gandhi

Current Non-Audible Murmur (NAM)-to-speech techniques rely on voice cloning to simulate ground-truth speech from paired whispers. However, the simulated speech often lacks intelligibility and fails to generalize well across different speakers. To address this issue, we focus on learning phoneme-level alignments from paired whispers and text and employ a Text-to-Speech (TTS) system to simulate the ground-truth. To reduce dependence on whispers, we learn phoneme alignments directly from NAMs, though the quality is constrained by the available training data. To further mitigate reliance on NAM/whisper data for ground-truth simulation, we propose incorporating the lip modality to infer speech and introduce a novel diffusion-based method that leverages recent advancements in lip-to-speech technology. Additionally, we release the MultiNAM dataset with over 7.96 hours of paired NAM, whisper, video, and text data from two speakers and benchmark all methods on this dataset. Speech samples and the dataset are available at https://diff-nam.github.io/DiffNAM/

Jing Zhu, Mingxuan Ju, Yozen Liu et al.

Generative recommendation (GR) has become a powerful paradigm in recommendation systems that implicitly links modality and semantics to item representation, in contrast to previous methods that relied on non-semantic item identifiers in autoregressive models. However, previous research has predominantly treated modalities in isolation, typically assuming item content is unimodal (usually text). We argue that this is a significant limitation given the rich, multimodal nature of real-world data and the potential sensitivity of GR models to modality choices and usage. Our work aims to explore the critical problem of Multimodal Generative Recommendation (MGR), highlighting the importance of modality choices in GR nframeworks. We reveal that GR models are particularly sensitive to different modalities and examine the challenges in achieving effective GR when multiple modalities are available. By evaluating design strategies for effectively leveraging multiple modalities, we identify key challenges and introduce MGR-LF++, an enhanced late fusion framework that employs contrastive modality alignment and special tokens to denote different modalities, achieving a performance improvement of over 20% compared to single-modality alternatives.

Geon Lee, Bhuvesh Kumar, Clark Mingxuan Ju et al.

Generative recommendation plays a crucial role in personalized systems, predicting users' future interactions from their historical behavior sequences. A critical yet underexplored factor in training these models is data augmentation, the process of constructing training data from user interaction histories. By shaping the training distribution, data augmentation directly and often substantially affects model generalization and performance. Nevertheless, in much of the existing work, this process is simplified, applied inconsistently, or treated as a minor design choice, without a systematic and principled understanding of its effects. Motivated by our empirical finding that different augmentation strategies can yield large performance disparities, we conduct an in-depth analysis of how they reshape training distributions and influence alignment with future targets and generalization to unseen inputs. To systematize this design space, we propose GenPAS, a generalized and principled framework that models augmentation as a stochastic sampling process over input-target pairs with three bias-controlled steps: sequence sampling, target sampling, and input sampling. This formulation unifies widely used strategies as special cases and enables flexible control of the resulting training distribution. Our extensive experiments on benchmark and industrial datasets demonstrate that GenPAS yields superior accuracy, data efficiency, and parameter efficiency compared to existing strategies, providing practical guidance for principled training data construction in generative recommendation.

Jingzhe Liu, Liam Collins, Jiliang Tang et al.

Recent advancements in generative models have allowed the emergence of a promising paradigm for recommender systems (RS), known as Generative Recommendation (GR), which tries to unify rich item semantics and collaborative filtering signals. One popular modern approach is to use semantic IDs (SIDs), which are discrete codes quantized from the embeddings of modality encoders (e.g., large language or vision models), to represent items in an autoregressive user interaction sequence modeling setup (henceforth, SID-based GR). While generative models in other domains exhibit well-established scaling laws, our work reveals that SID-based GR shows significant bottlenecks while scaling up the model. In particular, the performance of SID-based GR quickly saturates as we enlarge each component: the modality encoder, the quantization tokenizer, and the RS itself. In this work, we identify the limited capacity of SIDs to encode item semantic information as one of the fundamental bottlenecks. Motivated by this observation, as an initial effort to obtain GR models with better scaling behaviors, we revisit another GR paradigm that directly uses large language models (LLMs) as recommenders (henceforth, LLM-as-RS). Our experiments show that the LLM-as-RS paradigm has superior model scaling properties and achieves up to 20 percent improvement over the best achievable performance of SID-based GR through scaling. We also challenge the prevailing belief that LLMs struggle to capture collaborative filtering information, showing that their ability to model user-item interactions improves as LLMs scale up. Our analyses on both SID-based GR and LLMs across model sizes from 44M to 14B parameters underscore the intrinsic scaling limits of SID-based GR and position LLM-as-RS as a promising path toward foundation models for GR.

Quang Truong, Zhikai Chen, Mingxuan Ju et al.

Relational databases underpin critical infrastructure across a wide range of domains, yet the design of generalizable pre-training strategies for learning from relational databases remains an open challenge due to task heterogeneity. Specifically, there exist infinitely many possible downstream tasks, as tasks are defined based on relational schema graphs, temporal dependencies, and SQL-defined label logics. An effective pre-training framework is desired to take these factors into account in order to obtain task-aware representations. By incorporating knowledge of the underlying distribution that drives label generation, downstream tasks can benefit from relevant side-channel information. To bridge this gap, we introduce Task Vector Estimation (TVE), a novel pre-training framework that constructs predictive supervisory signals via set-based aggregation over schema traversal graphs, explicitly modeling next-window relational dynamics. We formalize our approach through an information-theoretic lens, demonstrating that task-informed representations retain more relevant signals than those obtained without task priors. Extensive experiments on the RelBench benchmark show that TVE consistently outperforms traditional pre-training baselines. Our findings advocate for pre-training objectives that encode task heterogeneity and temporal structure as design principles for predictive modeling on relational databases.

Zongyue Qin, Shichang Zhang, Mingxuan Ju et al.

Link prediction is a crucial graph-learning task with applications including citation prediction and product recommendation. Distilling Graph Neural Networks (GNNs) teachers into Multi-Layer Perceptrons (MLPs) students has emerged as an effective approach to achieve strong performance and reducing computational cost by removing graph dependency. However, existing distillation methods only use standard GNNs and overlook alternative teachers such as specialized model for link prediction (GNN4LP) and heuristic methods (e.g., common neighbors). This paper first explores the impact of different teachers in GNN-to-MLP distillation. Surprisingly, we find that stronger teachers do not always produce stronger students: MLPs distilled from GNN4LP can underperform those distilled from simpler GNNs, while weaker heuristic methods can teach MLPs to near-GNN performance with drastically reduced training costs. Building on these insights, we propose Ensemble Heuristic-Distilled MLPs (EHDM), which eliminates graph dependencies while effectively integrating complementary signals via a gating mechanism. Experiments on ten datasets show an average 7.93% improvement over previous GNN-to-MLP approaches with 1.95-3.32 times less training time, indicating EHDM is an efficient and effective link prediction method.

Jing Zhu, Yuhang Zhou, Shengyi Qian et al.

Graph machine learning has made significant strides in recent years, yet the integration of visual information with graph structure and its potential for improving performance in downstream tasks remains an underexplored area. To address this critical gap, we introduce the Multimodal Graph Benchmark (MM-GRAPH), a pioneering benchmark that incorporates both visual and textual information into graph learning tasks. MM-GRAPH extends beyond existing text-attributed graph benchmarks, offering a more comprehensive evaluation framework for multimodal graph learning Our benchmark comprises seven diverse datasets of varying scales (ranging from thousands to millions of edges), designed to assess algorithms across different tasks in real-world scenarios. These datasets feature rich multimodal node attributes, including visual data, which enables a more holistic evaluation of various graph learning frameworks in complex, multimodal environments. To support advancements in this emerging field, we provide an extensive empirical study on various graph learning frameworks when presented with features from multiple modalities, particularly emphasizing the impact of visual information. This study offers valuable insights into the challenges and opportunities of integrating visual data into graph learning.

Agostina Calabrese, Leonardo Neves, Neil Shah et al.

Content moderators play a key role in keeping the conversation on social media healthy. While the high volume of content they need to judge represents a bottleneck to the moderation pipeline, no studies have explored how models could support them to make faster decisions. There is, by now, a vast body of research into detecting hate speech, sometimes explicitly motivated by a desire to help improve content moderation, but published research using real content moderators is scarce. In this work we investigate the effect of explanations on the speed of real-world moderators. Our experiments show that while generic explanations do not affect their speed and are often ignored, structured explanations lower moderators' decision making time by 7.4%.

Neil Shah, Vishal Tambrahalli, Saiteja Kosgi et al.

We present MParrotTTS, a unified multilingual, multi-speaker text-to-speech (TTS) synthesis model that can produce high-quality speech. Benefiting from a modularized training paradigm exploiting self-supervised speech representations, MParrotTTS adapts to a new language with minimal supervised data and generalizes to languages not seen while training the self-supervised backbone. Moreover, without training on any bilingual or parallel examples, MParrotTTS can transfer voices across languages while preserving the speaker-specific characteristics, e.g., synthesizing fluent Hindi speech using a French speaker's voice and accent. We present extensive results on six languages in terms of speech naturalness and speaker similarity in parallel and cross-lingual synthesis. The proposed model outperforms the state-of-the-art multilingual TTS models and baselines, using only a small fraction of supervised training data. Speech samples from our model can be found at https://paper2438.github.io/tts/

Shichang Zhang, Yozen Liu, Neil Shah et al.

Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (GNNs) on graphs. In this work, we revisit the appropriateness of the Shapley value for GNN explanation, where the task is to identify the most important subgraph and constituent nodes for GNN predictions. We claim that the Shapley value is a non-ideal choice for graph data because it is by definition not structure-aware. We propose a Graph Structure-aware eXplanation (GStarX) method to leverage the critical graph structure information to improve the explanation. Specifically, we define a scoring function based on a new structure-aware value from the cooperative game theory proposed by Hamiache and Navarro (HN). When used to score node importance, the HN value utilizes graph structures to attribute cooperation surplus between neighbor nodes, resembling message passing in GNNs, so that node importance scores reflect not only the node feature importance, but also the node structural roles. We demonstrate that GStarX produces qualitatively more intuitive explanations, and quantitatively improves explanation fidelity over strong baselines on chemical graph property prediction and text graph sentiment classification.

Shichang Zhang, Yozen Liu, Yizhou Sun et al.

Graph Neural Networks (GNNs) are popular for graph machine learning and have shown great results on wide node classification tasks. Yet, they are less popular for practical deployments in the industry owing to their scalability challenges incurred by data dependency. Namely, GNN inference depends on neighbor nodes multiple hops away from the target, and fetching them burdens latency-constrained applications. Existing inference acceleration methods like pruning and quantization can speed up GNNs by reducing Multiplication-and-ACcumulation (MAC) operations, but the improvements are limited given the data dependency is not resolved. Conversely, multi-layer perceptrons (MLPs) have no graph dependency and infer much faster than GNNs, even though they are less accurate than GNNs for node classification in general. Motivated by these complementary strengths and weaknesses, we bring GNNs and MLPs together via knowledge distillation (KD). Our work shows that the performance of MLPs can be improved by large margins with GNN KD. We call the distilled MLPs Graph-less Neural Networks (GLNNs) as they have no inference graph dependency. We show that GLNNs with competitive accuracy infer faster than GNNs by 146X-273X and faster than other acceleration methods by 14X-27X. Under a production setting involving both transductive and inductive predictions across 7 datasets, GLNN accuracies improve over stand-alone MLPs by 12.36% on average and match GNNs on 6/7 datasets. Comprehensive analysis shows when and why GLNNs can achieve competitive accuracies to GNNs and suggests GLNN as a handy choice for latency-constrained applications.

Lingxiao Zhao, Wei Jin, Leman Akoglu et al.

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a star-shaped pattern. MPNNs are appealing for being efficient and scalable, how-ever their expressiveness is upper-bounded by the 1st-order Weisfeiler-Lehman isomorphism test (1-WL). In response, prior works propose highly expressive models at the cost of scalability and sometimes generalization performance. Our work stands between these two regimes: we introduce a general framework to uplift any MPNN to be more expressive, with limited scalability overhead and greatly improved practical performance. We achieve this by extending local aggregation in MPNNs from star patterns to general subgraph patterns (e.g.,k-egonets):in our framework, each node representation is computed as the encoding of a surrounding induced subgraph rather than encoding of immediate neighbors only (i.e. a star). We choose the subgraph encoder to be a GNN (mainly MPNNs, considering scalability) to design a general framework that serves as a wrapper to up-lift any GNN. We call our proposed method GNN-AK(GNN As Kernel), as the framework resembles a convolutional neural network by replacing the kernel with GNNs. Theoretically, we show that our framework is strictly more powerful than 1&2-WL, and is not less powerful than 3-WL. We also design subgraph sampling strategies which greatly reduce memory footprint and improve speed while maintaining performance. Our method sets new state-of-the-art performance by large margins for several well-known graph ML tasks; specifically, 0.08 MAE on ZINC,74.79% and 86.887% accuracy on CIFAR10 and PATTERN respectively.

Yao Ma, Xiaorui Liu, Neil Shah et al.

Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to the homophily assumption ("like attracts like"), and fail to generalize to heterophilous graphs where dissimilar nodes connect. Recent works design new architectures to overcome such heterophily-related limitations, citing poor baseline performance and new architecture improvements on a few heterophilous graph benchmark datasets as evidence for this notion. In our experiments, we empirically find that standard graph convolutional networks (GCNs) can actually achieve better performance than such carefully designed methods on some commonly used heterophilous graphs. This motivates us to reconsider whether homophily is truly necessary for good GNN performance. We find that this claim is not quite true, and in fact, GCNs can achieve strong performance on heterophilous graphs under certain conditions. Our work carefully characterizes these conditions, and provides supporting theoretical understanding and empirical observations. Finally, we examine existing heterophilous graphs benchmarks and reconcile how the GCN (under)performs on them based on this understanding.

Siddharth Bhatia, Mohit Wadhwa, Kenji Kawaguchi et al.

Given a stream of graph edges from a dynamic graph, how can we assign anomaly scores to edges and subgraphs in an online manner, for the purpose of detecting unusual behavior, using constant time and memory? For example, in intrusion detection, existing work seeks to detect either anomalous edges or anomalous subgraphs, but not both. In this paper, we first extend the count-min sketch data structure to a higher-order sketch. This higher-order sketch has the useful property of preserving the dense subgraph structure (dense subgraphs in the input turn into dense submatrices in the data structure). We then propose 4 online algorithms that utilize this enhanced data structure, which (a) detect both edge and graph anomalies; (b) process each edge and graph in constant memory and constant update time per newly arriving edge, and; (c) outperform state-of-the-art baselines on 4 real-world datasets. Our method is the first streaming approach that incorporates dense subgraph search to detect graph anomalies in constant memory and time.

Sara Abdali, Neil Shah, Evangelos E. Papalexakis

Graphs are one of the most efficacious structures for representing datapoints and their relations, and they have been largely exploited for different applications. Previously, the higher-order relations between the nodes have been modeled by a generalization of graphs known as hypergraphs. In hypergraphs, the edges are defined by a set of nodes i.e., hyperedges to demonstrate the higher order relationships between the data. However, there is no explicit higher-order generalization for nodes themselves. In this work, we introduce a novel generalization of graphs i.e., K-Nearest Hyperplanes graph (KNH) where the nodes are defined by higher order Euclidean subspaces for multi-view modeling of the nodes. In fact, in KNH, nodes are hyperplanes or more precisely m-flats instead of datapoints. We experimentally evaluate the KNH graph on two multi-aspect datasets for misinformation detection. The experimental results suggest that multi-view modeling of articles using KNH graph outperforms the classic KNN graph in terms of classification performance.

Brihi Joshi, Neil Shah, Francesco Barbieri et al.

Contextual embeddings derived from transformer-based neural language models have shown state-of-the-art performance for various tasks such as question answering, sentiment analysis, and textual similarity in recent years. Extensive work shows how accurately such models can represent abstract, semantic information present in text. In this expository work, we explore a tangent direction and analyze such models' performance on tasks that require a more granular level of representation. We focus on the problem of textual similarity from two perspectives: matching documents on a granular level (requiring embeddings to capture fine-grained attributes in the text), and an abstract level (requiring embeddings to capture overall textual semantics). We empirically demonstrate, across two datasets from different domains, that despite high performance in abstract document matching as expected, contextual embeddings are consistently (and at times, vastly) outperformed by simple baselines like TF-IDF for more granular tasks. We then propose a simple but effective method to incorporate TF-IDF into models that use contextual embeddings, achieving relative improvements of up to 36% on granular tasks.

Tong Zhao, Bo Ni, Wenhao Yu et al.

The proliferation of web platforms has created incentives for online abuse. Many graph-based anomaly detection techniques are proposed to identify the suspicious accounts and behaviors. However, most of them detect the anomalies once the users have performed many such behaviors. Their performance is substantially hindered when the users' observed data is limited at an early stage, which needs to be improved to minimize financial loss. In this work, we propose Eland, a novel framework that uses action sequence augmentation for early anomaly detection. Eland utilizes a sequence predictor to predict next actions of every user and exploits the mutual enhancement between action sequence augmentation and user-action graph anomaly detection. Experiments on three real-world datasets show that Eland improves the performance of a variety of graph-based anomaly detection methods. With Eland, anomaly detection performance at an earlier stage is better than non-augmented methods that need significantly more observed data by up to 15% on the Area under the ROC curve.

Yao Ma, Xiaorui Liu, Tong Zhao et al.

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses feed-forward networks to transform features, while the latter aggregates the transformed features over the graph. Numerous recent works have proposed GNN models with different designs in the aggregation operation. In this work, we establish mathematically that the aggregation processes in a group of representative GNN models including GCN, GAT, PPNP, and APPNP can be regarded as (approximately) solving a graph denoising problem with a smoothness assumption. Such a unified view across GNNs not only provides a new perspective to understand a variety of aggregation operations but also enables us to develop a unified graph neural network framework UGNN. To demonstrate its promising potential, we instantiate a novel GNN model, ADA-UGNN, derived from UGNN, to handle graphs with adaptive smoothness across nodes. Comprehensive experiments show the effectiveness of ADA-UGNN.

Neil Shah, Grant Ho, Marco Schweighauser et al.

We present a large-scale characterization of attacker activity across 111 real-world enterprise organizations. We develop a novel forensic technique for distinguishing between attacker activity and benign activity in compromised enterprise accounts that yields few false positives and enables us to perform fine-grained analysis of attacker behavior. Applying our methods to a set of 159 compromised enterprise accounts, we quantify the duration of time attackers are active in accounts and examine thematic patterns in how attackers access and leverage these hijacked accounts. We find that attackers frequently dwell in accounts for multiple days to weeks, suggesting that delayed (non-real-time) detection can still provide significant value. Based on an analysis of the attackers' timing patterns, we observe two distinct modalities in how attackers access compromised accounts, which could be explained by the existence of a specialized market for hijacked enterprise accounts: where one class of attackers focuses on compromising and selling account access to another class of attackers who exploit the access such hijacked accounts provide. Ultimately, our analysis sheds light on the state of enterprise account hijacking and highlights fruitful directions for a broader space of detection methods, ranging from new features that home in on malicious account behavior to the development of non-real-time detection methods that leverage malicious activity after an attack's initial point of compromise to more accurately identify attacks.