Tong Zhao

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.

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}.

Yifan Gao, Qingyu Yin, Zheng Li et al. · amazon-science

Keyphrase generation is the task of automatically predicting keyphrases given a piece of long text. Despite its recent flourishing, keyphrase generation on non-English languages haven't been vastly investigated. In this paper, we call attention to a new setting named multilingual keyphrase generation and we contribute two new datasets, EcommerceMKP and AcademicMKP, covering six languages. Technically, we propose a retrieval-augmented method for multilingual keyphrase generation to mitigate the data shortage problem in non-English languages. The retrieval-augmented model leverages keyphrase annotations in English datasets to facilitate generating keyphrases in low-resource languages. Given a non-English passage, a cross-lingual dense passage retrieval module finds relevant English passages. Then the associated English keyphrases serve as external knowledge for keyphrase generation in the current language. Moreover, we develop a retriever-generator iterative training algorithm to mine pseudo parallel passage pairs to strengthen the cross-lingual passage retriever. Comprehensive experiments and ablations show that the proposed approach outperforms all baselines.

Mingxuan Ju, Wenhao Yu, Tong Zhao et al.

A common thread of open-domain question answering (QA) models employs a retriever-reader pipeline that first retrieves a handful of relevant passages from Wikipedia and then peruses the passages to produce an answer. However, even state-of-the-art readers fail to capture the complex relationships between entities appearing in questions and retrieved passages, leading to answers that contradict the facts. In light of this, we propose a novel knowledge Graph enhanced passage reader, namely Grape, to improve the reader performance for open-domain QA. Specifically, for each pair of question and retrieved passage, we first construct a localized bipartite graph, attributed to entity embeddings extracted from the intermediate layer of the reader model. Then, a graph neural network learns relational knowledge while fusing graph and contextual representations into the hidden states of the reader model. Experiments on three open-domain QA benchmarks show Grape can improve the state-of-the-art performance by up to 2.2 exact match score with a negligible overhead increase, with the same retriever and retrieved passages. Our code is publicly available at https://github.com/jumxglhf/GRAPE.

Jiacheng Li, Tong Zhao, Jin Li et al.

Sequential recommendation aims to model dynamic user behavior from historical interactions. Self-attentive methods have proven effective at capturing short-term dynamics and long-term preferences. Despite their success, these approaches still struggle to model sparse data, on which they struggle to learn high-quality item representations. We propose to model user dynamics from shopping intents and interacted items simultaneously. The learned intents are coarse-grained and work as prior knowledge for item recommendation. To this end, we present a coarse-to-fine self-attention framework, namely CaFe, which explicitly learns coarse-grained and fine-grained sequential dynamics. Specifically, CaFe first learns intents from coarse-grained sequences which are dense and hence provide high-quality user intent representations. Then, CaFe fuses intent representations into item encoder outputs to obtain improved item representations. Finally, we infer recommended items based on representations of items and corresponding intents. Experiments on sparse datasets show that CaFe outperforms state-of-the-art self-attentive recommenders by 44.03% NDCG@5 on average.

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.

Gang Liu, Tong Zhao, Jiaxin Xu et al.

Rationale is defined as a subset of input features that best explains or supports the prediction by machine learning models. Rationale identification has improved the generalizability and interpretability of neural networks on vision and language data. In graph applications such as molecule and polymer property prediction, identifying representative subgraph structures named as graph rationales plays an essential role in the performance of graph neural networks. Existing graph pooling and/or distribution intervention methods suffer from lack of examples to learn to identify optimal graph rationales. In this work, we introduce a new augmentation operation called environment replacement that automatically creates virtual data examples to improve rationale identification. We propose an efficient framework that performs rationale-environment separation and representation learning on the real and augmented examples in latent spaces to avoid the high complexity of explicit graph decoding and encoding. Comparing against recent techniques, experiments on seven molecular and four polymer real datasets demonstrate the effectiveness and efficiency of the proposed augmentation-based graph rationalization framework.

Trong Nghia Hoang, Anoop Deoras, Tong Zhao et al.

This paper studies the item-to-item recommendation problem in recommender systems from a new perspective of metric learning via implicit feedback. We develop and investigate a personalizable deep metric model that captures both the internal contents of items and how they were interacted with by users. There are two key challenges in learning such model. First, there is no explicit similarity annotation, which deviates from the assumption of most metric learning methods. Second, these approaches ignore the fact that items are often represented by multiple sources of meta data and different users use different combinations of these sources to form their own notion of similarity. To address these challenges, we develop a new metric representation embedded as kernel parameters of a probabilistic model. This helps express the correlation between items that a user has interacted with, which can be used to predict user interaction with new items. Our approach hinges on the intuition that similar items induce similar interactions from the same user, thus fitting a metric-parameterized model to predict an implicit feedback signal could indirectly guide it towards finding the most suitable metric for each user. To this end, we also analyze how and when the proposed method is effective from a theoretical lens. Its empirical effectiveness is also demonstrated on several real-world datasets.

Wenhao Yu, Chenguang Zhu, Lianhui Qin et al.

Generative commonsense reasoning (GCR) in natural language is to reason about the commonsense while generating coherent text. Recent years have seen a surge of interest in improving the generation quality of commonsense reasoning tasks. Nevertheless, these approaches have seldom investigated diversity in the GCR tasks, which aims to generate alternative explanations for a real-world situation or predict all possible outcomes. Diversifying GCR is challenging as it expects to generate multiple outputs that are not only semantically different but also grounded in commonsense knowledge. In this paper, we propose MoKGE, a novel method that diversifies the generative reasoning by a mixture of expert (MoE) strategy on commonsense knowledge graphs (KG). A set of knowledge experts seek diverse reasoning on KG to encourage various generation outputs. Empirical experiments demonstrated that MoKGE can significantly improve the diversity while achieving on par performance on accuracy on two GCR benchmarks, based on both automatic and human evaluations.

Gang Liu, Eric Inae, Tong Zhao et al.

Graph property prediction tasks are important and numerous. While each task offers a small size of labeled examples, unlabeled graphs have been collected from various sources and at a large scale. A conventional approach is training a model with the unlabeled graphs on self-supervised tasks and then fine-tuning the model on the prediction tasks. However, the self-supervised task knowledge could not be aligned or sometimes conflicted with what the predictions needed. In this paper, we propose to extract the knowledge underlying the large set of unlabeled graphs as a specific set of useful data points to augment each property prediction model. We use a diffusion model to fully utilize the unlabeled graphs and design two new objectives to guide the model's denoising process with each task's labeled data to generate task-specific graph examples and their labels. Experiments demonstrate that our data-centric approach performs significantly better than fifteen existing various methods on fifteen tasks. The performance improvement brought by unlabeled data is visible as the generated labeled examples unlike the self-supervised learning.

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.

Yapeng Su, Tong Zhao, Zicheng Zhang

Deep learning has achieved remarkable results in fingerprint embedding, which plays a critical role in modern Automated Fingerprint Identification Systems. However, previous works including CNN-based and Transformer-based approaches fail to exploit the nonstructural data, such as topology and correlation in fingerprints, which is essential to facilitate the identifiability and robustness of embedding. To address this challenge, we propose a novel paradigm for fingerprint embedding, called Minutiae Relation-Aware model over Graph Neural Network (MRA-GNN). Our proposed approach incorporates a GNN-based framework in fingerprint embedding to encode the topology and correlation of fingerprints into descriptive features, achieving fingerprint representation in the form of graph embedding. Specifically, we reinterpret fingerprint data and their relative connections as vertices and edges respectively, and introduce a minutia graph and fingerprint graph to represent the topological relations and correlation structures of fingerprints. We equip MRA-GNN with a Topological relation Reasoning Module (TRM) and Correlation-Aware Module (CAM) to learn the fingerprint embedding from these graphs successfully. To tackle the over-smoothing problem in GNN models, we incorporate Feed-Forward Module and graph residual connections into proposed modules. The experimental results demonstrate that our proposed approach outperforms state-of-the-art methods on various fingerprint datasets, indicating the effectiveness of our approach in exploiting nonstructural information of fingerprints.

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.

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.

Zhixun Li, Dingshuo Chen, Tong Zhao et al.

Graph Neural Networks (GNNs) have achieved great success in dealing with non-Euclidean graph-structured data and have been widely deployed in many real-world applications. However, their effectiveness is often jeopardized under class-imbalanced training sets. Most existing studies have analyzed class-imbalanced node classification from a supervised learning perspective, but they do not fully utilize the large number of unlabeled nodes in semi-supervised scenarios. We claim that the supervised signal is just the tip of the iceberg and a large number of unlabeled nodes have not yet been effectively utilized. In this work, we propose IceBerg, a debiased self-training framework to address the class-imbalanced and few-shot challenges for GNNs at the same time. Specifically, to figure out the Matthew effect and label distribution shift in self-training, we propose Double Balancing, which can largely improve the performance of existing baselines with just a few lines of code as a simple plug-and-play module. Secondly, to enhance the long-range propagation capability of GNNs, we disentangle the propagation and transformation operations of GNNs. Therefore, the weak supervision signals can propagate more effectively to address the few-shot issue. In summary, we find that leveraging unlabeled nodes can significantly enhance the performance of GNNs in class-imbalanced and few-shot scenarios, and even small, surgical modifications can lead to substantial performance improvements. Systematic experiments on benchmark datasets show that our method can deliver considerable performance gain over existing class-imbalanced node classification baselines. Additionally, due to IceBerg's outstanding ability to leverage unsupervised signals, it also achieves state-of-the-art results in few-shot node classification scenarios. The code of IceBerg is available at: https://github.com/ZhixunLEE/IceBerg.

Tong Zhao, Wei Jin, Yozen Liu et al.

Data augmentation has recently seen increased interest in graph machine learning given its demonstrated ability to improve model performance and generalization by added training data. Despite this recent surge, the area is still relatively under-explored, due to the challenges brought by complex, non-Euclidean structure of graph data, which limits the direct analogizing of traditional augmentation operations on other types of image, video or text data. Our work aims to give a necessary and timely overview of existing graph data augmentation methods; notably, we present a comprehensive and systematic survey of graph data augmentation approaches, summarizing the literature in a structured manner. We first introduce three different taxonomies for categorizing graph data augmentation methods from the data, task, and learning perspectives, respectively. Next, we introduce recent advances in graph data augmentation, differentiated by their methodologies and applications. We conclude by outlining currently unsolved challenges and directions for future research. Overall, our work aims to clarify the landscape of existing literature in graph data augmentation and motivates additional work in this area, providing a helpful resource for researchers and practitioners in the broader graph machine learning domain. Additionally, we provide a continuously updated reading list at https://github.com/zhao-tong/graph-data-augmentation-papers.

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.

Xuanlin Li, Tong Zhao, Xinghao Zhu et al.

Contact-rich bimanual manipulation involves precise coordination of two arms to change object states through strategically selected contacts and motions. Due to the inherent complexity of these tasks, acquiring sufficient demonstration data and training policies that generalize to unseen scenarios remain a largely unresolved challenge. Building on recent advances in planning through contacts, we introduce Generalizable Planning-Guided Diffusion Policy Learning (GLIDE), an approach that effectively learns to solve contact-rich bimanual manipulation tasks by leveraging model-based motion planners to generate demonstration data in high-fidelity physics simulation. Through efficient planning in randomized environments, our approach generates large-scale and high-quality synthetic motion trajectories for tasks involving diverse objects and transformations. We then train a task-conditioned diffusion policy via behavior cloning using these demonstrations. To tackle the sim-to-real gap, we propose a set of essential design options in feature extraction, task representation, action prediction, and data augmentation that enable learning robust prediction of smooth action sequences and generalization to unseen scenarios. Through experiments in both simulation and the real world, we demonstrate that our approach can enable a bimanual robotic system to effectively manipulate objects of diverse geometries, dimensions, and physical properties. Website: https://glide-manip.github.io/

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.

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.

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.

Mengyu Yang, Yanming Yang, Chenyi Xu et al.

Diffusion models have achieved impressive generative quality across modalities like 2D images, videos, and 3D shapes, but their inference remains computationally expensive due to the iterative denoising process. While recent caching-based methods effectively reuse redundant computations to speed up 2D and video generation, directly applying these techniques to 3D diffusion models can severely disrupt geometric consistency. In 3D synthesis, even minor numerical errors in cached latent features accumulate, causing structural artifacts and topological inconsistencies. To overcome this limitation, we propose Fast3Dcache, a training-free geometry-aware caching framework that accelerates 3D diffusion inference while preserving geometric fidelity. Our method introduces a Predictive Caching Scheduler Constraint (PCSC) to dynamically determine cache quotas according to voxel stabilization patterns and a Spatiotemporal Stability Criterion (SSC) to select stable features for reuse based on velocity magnitude and acceleration criterion. Comprehensive experiments show that Fast3Dcache accelerates inference significantly, achieving up to a 27.12% speed-up and a 54.8% reduction in FLOPs, with minimal degradation in geometric quality as measured by Chamfer Distance (2.48%) and F-Score (1.95%).

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.

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.

Gang Liu, Tong Zhao, Eric Inae et al.

Data imbalance is easily found in annotated data when the observations of certain continuous label values are difficult to collect for regression tasks. When they come to molecule and polymer property predictions, the annotated graph datasets are often small because labeling them requires expensive equipment and effort. To address the lack of examples of rare label values in graph regression tasks, we propose a semi-supervised framework to progressively balance training data and reduce model bias via self-training. The training data balance is achieved by (1) pseudo-labeling more graphs for under-represented labels with a novel regression confidence measurement and (2) augmenting graph examples in latent space for remaining rare labels after data balancing with pseudo-labels. The former is to identify quality examples from unlabeled data whose labels are confidently predicted and sample a subset of them with a reverse distribution from the imbalanced annotated data. The latter collaborates with the former to target a perfect balance using a novel label-anchored mixup algorithm. We perform experiments in seven regression tasks on graph datasets. Results demonstrate that the proposed framework significantly reduces the error of predicted graph properties, especially in under-represented label areas.

Ruijie Wang, Zheng Li, Danqing Zhang et al.

With the increasing demands on e-commerce platforms, numerous user action history is emerging. Those enriched action records are vital to understand users' interests and intents. Recently, prior works for user behavior prediction mainly focus on the interactions with product-side information. However, the interactions with search queries, which usually act as a bridge between users and products, are still under investigated. In this paper, we explore a new problem named temporal event forecasting, a generalized user behavior prediction task in a unified query product evolutionary graph, to embrace both query and product recommendation in a temporal manner. To fulfill this setting, there involves two challenges: (1) the action data for most users is scarce; (2) user preferences are dynamically evolving and shifting over time. To tackle those issues, we propose a novel Retrieval-Enhanced Temporal Event (RETE) forecasting framework. Unlike existing methods that enhance user representations via roughly absorbing information from connected entities in the whole graph, RETE efficiently and dynamically retrieves relevant entities centrally on each user as high-quality subgraphs, preventing the noise propagation from the densely evolutionary graph structures that incorporate abundant search queries. And meanwhile, RETE autoregressively accumulates retrieval-enhanced user representations from each time step, to capture evolutionary patterns for joint query and product prediction. Empirically, extensive experiments on both the public benchmark and four real-world industrial datasets demonstrate the effectiveness of the proposed RETE method.

Liqiang Xiao, Jun Ma2, Xin Luna Dong et al.

Successful conversational search systems can present natural, adaptive and interactive shopping experience for online shopping customers. However, building such systems from scratch faces real word challenges from both imperfect product schema/knowledge and lack of training dialog data.In this work we first propose ConvSearch, an end-to-end conversational search system that deeply combines the dialog system with search. It leverages the text profile to retrieve products, which is more robust against imperfect product schema/knowledge compared with using product attributes alone. We then address the lack of data challenges by proposing an utterance transfer approach that generates dialogue utterances by using existing dialog from other domains, and leveraging the search behavior data from e-commerce retailer. With utterance transfer, we introduce a new conversational search dataset for online shopping. Experiments show that our utterance transfer method can significantly improve the availability of training dialogue data without crowd-sourcing, and the conversational search system significantly outperformed the best tested baseline.

Tong Zhao, Gang Liu, Daheng Wang et al.

Learning to predict missing links is important for many graph-based applications. Existing methods were designed to learn the association between observed graph structure and existence of link between a pair of nodes. However, the causal relationship between the two variables was largely ignored for learning to predict links on a graph. In this work, we visit this factor by asking a counterfactual question: "would the link still exist if the graph structure became different from observation?" Its answer, counterfactual links, will be able to augment the graph data for representation learning. To create these links, we employ causal models that consider the information (i.e., learned representations) of node pairs as context, global graph structural properties as treatment, and link existence as outcome. We propose a novel data augmentation-based link prediction method that creates counterfactual links and learns representations from both the observed and counterfactual links. Experiments on benchmark data show that our graph learning method achieves state-of-the-art performance on the task of link prediction.

Hanqing Lu, Youna Hu, Tong Zhao et al.

Nowadays, with many e-commerce platforms conducting global business, e-commerce search systems are required to handle product retrieval under multilingual scenarios. Moreover, comparing with maintaining per-country specific e-commerce search systems, having a universal system across countries can further reduce the operational and computational costs, and facilitate business expansion to new countries. In this paper, we introduce a universal end-to-end multilingual retrieval system, and discuss our learnings and technical details when training and deploying the system to serve billion-scale product retrieval for e-commerce search. In particular, we propose a multilingual graph attention based retrieval network by leveraging recent advances in transformer-based multilingual language models and graph neural network architectures to capture the interactions between search queries and items in e-commerce search. Offline experiments on five countries data show that our algorithm outperforms the state-of-the-art baselines by 35% recall and 25% mAP on average. Moreover, the proposed model shows significant increase of conversion/revenue in online A/B experiments and has been deployed in production for multiple countries.

Wenhao Yu, Chenguang Zhu, Tong Zhao et al.

Generating paragraphs of diverse contents is important in many applications. Existing generation models produce similar contents from homogenized contexts due to the fixed left-to-right sentence order. Our idea is permuting the sentence orders to improve the content diversity of multi-sentence paragraph. We propose a novel framework PermGen whose objective is to maximize the expected log-likelihood of output paragraph distributions with respect to all possible sentence orders. PermGen uses hierarchical positional embedding and designs new procedures for training, decoding, and candidate ranking in the sentence-permuted generation. Experiments on three paragraph generation benchmarks demonstrate PermGen generates more diverse outputs with a higher quality than existing models.

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.

Meng Jiang, Taeho Jung, Ryan Karl et al.

Given video data from multiple personal devices or street cameras, can we exploit the structural and dynamic information to learn dynamic representation of objects for applications such as distributed surveillance, without storing data at a central server that leads to a violation of user privacy? In this work, we introduce Federated Dynamic Graph Neural Network (Feddy), a distributed and secured framework to learn the object representations from multi-user graph sequences: i) It aggregates structural information from nearby objects in the current graph as well as dynamic information from those in the previous graph. It uses a self-supervised loss of predicting the trajectories of objects. ii) It is trained in a federated learning manner. The centrally located server sends the model to user devices. Local models on the respective user devices learn and periodically send their learning to the central server without ever exposing the user's data to server. iii) Studies showed that the aggregated parameters could be inspected though decrypted when broadcast to clients for model synchronizing, after the server performed a weighted average. We design an appropriate aggregation mechanism of secure aggregation primitives that can protect the security and privacy in federated learning with scalability. Experiments on four video camera datasets (in four different scenes) as well as simulation demonstrate that Feddy achieves great effectiveness and security.

Changlin Wan, Wennan Chang, Tong Zhao et al.

Low rank representation of binary matrix is powerful in disentangling sparse individual-attribute associations, and has received wide applications. Existing binary matrix factorization (BMF) or co-clustering (CC) methods often assume i.i.d background noise. However, this assumption could be easily violated in real data, where heterogeneous row- or column-wise probability of binary entries results in disparate element-wise background distribution, and paralyzes the rationality of existing methods. We propose a binary data denoising framework, namely BIND, which optimizes the detection of true patterns by estimating the row- or column-wise mixture distribution of patterns and disparate background, and eliminating the binary attributes that are more likely from the background. BIND is supported by thoroughly derived mathematical property of the row- and column-wise mixture distributions. Our experiment on synthetic and real-world data demonstrated BIND effectively removes background noise and drastically increases the fairness and accuracy of state-of-the arts BMF and CC methods.

Daheng Wang, Zhihan Zhang, Yihong Ma et al.

Most graph neural network models learn embeddings of nodes in static attributed graphs for predictive analysis. Recent attempts have been made to learn temporal proximity of the nodes. We find that real dynamic attributed graphs exhibit complex co-evolution of node attributes and graph structure. Learning node embeddings for forecasting change of node attributes and birth and death of links over time remains an open problem. In this work, we present a novel framework called CoEvoGNN for modeling dynamic attributed graph sequence. It preserves the impact of earlier graphs on the current graph by embedding generation through the sequence. It has a temporal self-attention mechanism to model long-range dependencies in the evolution. Moreover, CoEvoGNN optimizes model parameters jointly on two dynamic tasks, attribute inference and link prediction over time. So the model can capture the co-evolutionary patterns of attribute change and link formation. This framework can adapt to any graph neural algorithms so we implemented and investigated three methods based on it: CoEvoGCN, CoEvoGAT, and CoEvoSAGE. Experiments demonstrate the framework (and its methods) outperform strong baselines on predicting an entire unseen graph snapshot of personal attributes and interpersonal links in dynamic social graphs and financial graphs.

Xin Luna Dong, Xiang He, Andrey Kan et al.

Can one build a knowledge graph (KG) for all products in the world? Knowledge graphs have firmly established themselves as valuable sources of information for search and question answering, and it is natural to wonder if a KG can contain information about products offered at online retail sites. There have been several successful examples of generic KGs, but organizing information about products poses many additional challenges, including sparsity and noise of structured data for products, complexity of the domain with millions of product types and thousands of attributes, heterogeneity across large number of categories, as well as large and constantly growing number of products. We describe AutoKnow, our automatic (self-driving) system that addresses these challenges. The system includes a suite of novel techniques for taxonomy construction, product property identification, knowledge extraction, anomaly detection, and synonym discovery. AutoKnow is (a) automatic, requiring little human intervention, (b) multi-scalable, scalable in multiple dimensions (many domains, many products, and many attributes), and (c) integrative, exploiting rich customer behavior logs. AutoKnow has been operational in collecting product knowledge for over 11K product types.

Tianwen Jiang, Tong Zhao, Bing Qin et al.

Noun phrases and relational phrases in Open Knowledge Bases are often not canonical, leading to redundant and ambiguous facts. In this work, we integrate structural information (from which tuple, which sentence) and semantic information (semantic similarity) to do the canonicalization. We represent the two types of information as a multi-layered graph: the structural information forms the links across the sentence, relational phrase, and noun phrase layers; the semantic information forms weighted intra-layer links for each layer. We propose a graph neural network model to aggregate the representations of noun phrases and relational phrases through the multi-layered meta-graph structure. Experiments show that our model outperforms existing approaches on a public datasets in general domain.

Tong Zhao, Yozen Liu, Leonardo Neves et al.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Changlin Wan, Wennan Chang, Tong Zhao et al.

Boolean matrix has been used to represent digital information in many fields, including bank transaction, crime records, natural language processing, protein-protein interaction, etc. Boolean matrix factorization (BMF) aims to find an approximation of a binary matrix as the Boolean product of two low rank Boolean matrices, which could generate vast amount of information for the patterns of relationships between the features and samples. Inspired by binary matrix permutation theories and geometric segmentation, we developed a fast and efficient BMF approach called MEBF (Median Expansion for Boolean Factorization). Overall, MEBF adopted a heuristic approach to locate binary patterns presented as submatrices that are dense in 1's. At each iteration, MEBF permutates the rows and columns such that the permutated matrix is approximately Upper Triangular-Like (UTL) with so-called Simultaneous Consecutive-ones Property (SC1P). The largest submatrix dense in 1 would lies on the upper triangular area of the permutated matrix, and its location was determined based on a geometric segmentation of a triangular. We compared MEBF with other state of the art approaches on data scenarios with different sparsity and noise levels. MEBF demonstrated superior performances in lower reconstruction error, and higher computational efficiency, as well as more accurate sparse patterns than popular methods such as ASSO, PANDA and MP. We demonstrated the application of MEBF on both binary and non-binary data sets, and revealed its further potential in knowledge retrieving and data denoising.

Tianwen Jiang, Tong Zhao, Bing Qin et al.

Conditions are essential in the statements of biological literature. Without the conditions (e.g., environment, equipment) that were precisely specified, the facts (e.g., observations) in the statements may no longer be valid. One biological statement has one or multiple fact(s) and/or condition(s). Their subject and object can be either a concept or a concept's attribute. Existing information extraction methods do not consider the role of condition in the biological statement nor the role of attribute in the subject/object. In this work, we design a new tag schema and propose a deep sequence tagging framework to structure conditional statement into fact and condition tuples from biological text. Experiments demonstrate that our method yields a information-lossless structure of the literature.