Jiahang Li

Jiahang Li, Yakun Song, Xiang Song et al.

Graph Neural Networks (GNNs) have displayed considerable promise in graph representation learning across various applications. The core learning process requires the initialization of model weight matrices within each GNN layer, which is typically accomplished via classic initialization methods such as Xavier initialization. However, these methods were originally motivated to stabilize the variance of hidden embeddings and gradients across layers of Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to avoid vanishing gradients and maintain steady information flow. In contrast, within the GNN context classical initializations disregard the impact of the input graph structure and message passing on variance. In this paper, we analyze the variance of forward and backward propagation across GNN layers and show that the variance instability of GNN initializations comes from the combined effect of the activation function, hidden dimension, graph structure and message passing. To better account for these influence factors, we propose a new initialization method for Variance Instability Reduction within GNN Optimization (Virgo), which naturally tends to equate forward and backward variances across successive layers. We conduct comprehensive experiments on 15 datasets to show that Virgo can lead to superior model performance and more stable variance at initialization on node classification, link prediction and graph classification tasks. Codes are in https://github.com/LspongebobJH/virgo_icml2023.

Minjie Wang, Quan Gan, David Wipf et al.

Although RDBs store vast amounts of rich, informative data spread across interconnected tables, the progress of predictive machine learning models as applied to such tasks arguably falls well behind advances in other domains such as computer vision or natural language processing. This deficit stems, at least in part, from the lack of established/public RDB benchmarks as needed for training and evaluation purposes. As a result, related model development thus far often defaults to tabular approaches trained on ubiquitous single-table benchmarks, or on the relational side, graph-based alternatives such as GNNs applied to a completely different set of graph datasets devoid of tabular characteristics. To more precisely target RDBs lying at the nexus of these two complementary regimes, we explore a broad class of baseline models predicated on: (i) converting multi-table datasets into graphs using various strategies equipped with efficient subsampling, while preserving tabular characteristics; and (ii) trainable models with well-matched inductive biases that output predictions based on these input subgraphs. Then, to address the dearth of suitable public benchmarks and reduce siloed comparisons, we assemble a diverse collection of (i) large-scale RDB datasets and (ii) coincident predictive tasks. From a delivery standpoint, we operationalize the above four dimensions (4D) of exploration within a unified, scalable open-source toolbox called 4DBInfer. We conclude by presenting evaluations using 4DBInfer, the results of which highlight the importance of considering each such dimension in the design of RDB predictive models, as well as the limitations of more naive approaches such as simply joining adjacent tables. Our source code is released at https://github.com/awslabs/multi-table-benchmark .

Minjia Wang, Yunfeng Wang, Xiao Ma et al.

Digital footprints (records of individuals' interactions with digital systems) are essential for studying behavior, developing personalized applications, and training machine learning models. However, research in this area is often hindered by the scarcity of diverse and accessible data. To address this limitation, we propose a novel method for synthesizing realistic digital footprints using large language model (LLM) agents. Starting from a structured user profile, our approach generates diverse and plausible sequences of user events, ultimately producing corresponding digital artifacts such as emails, messages, calendar entries, reminders, etc. Intrinsic evaluation results demonstrate that the generated dataset is more diverse and realistic than existing baselines. Moreover, models fine-tuned on our synthetic data outperform those trained on other synthetic datasets when evaluated on real-world out-of-distribution tasks.

Yao Wang, Jiannan Li, Yue Kang et al.

The matrix contextual bandit (CB), as an extension of the well-known multi-armed bandit, is a powerful framework that has been widely applied in sequential decision-making scenarios involving low-rank structure. In many real-world scenarios, such as online advertising and recommender systems, additional graph information often exists beyond the low-rank structure, that is, the similar relationships among users/items can be naturally captured through the connectivity among nodes in the corresponding graphs. However, existing matrix CB methods fail to explore such graph information, and thereby making them difficult to generate effective decision-making policies. To fill in this void, we propose in this paper a novel matrix CB algorithmic framework that builds upon the classical upper confidence bound (UCB) framework. This new framework can effectively integrate both the low-rank structure and graph information in a unified manner. Specifically, it involves first solving a joint nuclear norm and matrix Laplacian regularization problem, followed by the implementation of a graph-based generalized linear version of the UCB algorithm. Rigorous theoretical analysis demonstrates that our procedure outperforms several popular alternatives in terms of cumulative regret bound, owing to the effective utilization of graph information. A series of synthetic and real-world data experiments are conducted to further illustrate the merits of our procedure.

Jiannan Li, Yiyang Yang, Yao Wang et al.

Modern decision-making scenarios often involve data that is both high-dimensional and rich in higher-order contextual information, where existing bandits algorithms fail to generate effective policies. In response, we propose in this paper a generalized linear tensor bandits algorithm designed to tackle these challenges by incorporating low-dimensional tensor structures, and further derive a unified analytical framework of the proposed algorithm. Specifically, our framework introduces a convex optimization approach with the weakly decomposable regularizers, enabling it to not only achieve better results based on the tensor low-rankness structure assumption but also extend to cases involving other low-dimensional structures such as slice sparsity and low-rankness. The theoretical analysis shows that, compared to existing low-rankness tensor result, our framework not only provides better bounds but also has a broader applicability. Notably, in the special case of degenerating to low-rank matrices, our bounds still offer advantages in certain scenarios.

Xiang Song, Runjie Ma, Jiahang Li et al.

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this regard, various strategies have been proposed in the past to improve the expressiveness of GNNs. For example, one straightforward option is to simply increase the parameter size by either expanding the hid-den dimension or increasing the number of GNN layers. However, wider hidden layers can easily lead to overfitting, and incrementally adding more GNN layers can potentially result in over-smoothing.In this paper, we present a model-agnostic methodology, namely Network In Graph Neural Network (NGNN ), that allows arbitrary GNN models to increase their model capacity by making the model deeper. However, instead of adding or widening GNN layers, NGNN deepens a GNN model by inserting non-linear feedforward neural network layer(s) within each GNN layer. An analysis of NGNN as applied to a GraphSage base GNN on ogbn-products data demonstrate that it can keep the model stable against either node feature or graph structure perturbations. Furthermore, wide-ranging evaluation results on both node classification and link prediction tasks show that NGNN works reliably across diverse GNN architectures.For instance, it improves the test accuracy of GraphSage on the ogbn-products by 1.6% and improves the hits@100 score of SEAL on ogbl-ppa by 7.08% and the hits@20 score of GraphSage+Edge-Attr on ogbl-ppi by 6.22%. And at the time of this submission, it achieved two first places on the OGB link prediction leaderboard.