Mixed-Type Tabular Data Synthesis with Score-based Diffusion in Latent Space

Recent advances in tabular data generation have greatly enhanced synthetic data quality. However, extending diffusion models to tabular data is challenging due to the intricately varied distributions and a blend of data types of tabular data. This paper introduces TABSYN, a methodology that synthesizes tabular data by leveraging a diffusion model within a variational autoencoder (VAE) crafted latent space. The key advantages of the proposed TABSYN include (1) Generality: the ability to handle a broad spectrum of data types by converting them into a single unified space and explicitly capture inter-column relations; (2) Quality: optimizing the distribution of latent embeddings to enhance the subsequent training of diffusion models, which helps generate high-quality synthetic data, (3) Speed: much fewer number of reverse steps and faster synthesis speed than existing diffusion-based methods. Extensive experiments on six datasets with five metrics demonstrate that TABSYN outperforms existing methods. Specifically, it reduces the error rates by 86% and 67% for column-wise distribution and pair-wise column correlation estimations compared with the most competitive baselines.

OrthoReg: Improving Graph-regularized MLPs via Orthogonality Regularization

Graph Neural Networks (GNNs) are currently dominating in modeling graph-structure data, while their high reliance on graph structure for inference significantly impedes them from widespread applications. By contrast, Graph-regularized MLPs (GR-MLPs) implicitly inject the graph structure information into model weights, while their performance can hardly match that of GNNs in most tasks. This motivates us to study the causes of the limited performance of GR-MLPs. In this paper, we first demonstrate that node embeddings learned from conventional GR-MLPs suffer from dimensional collapse, a phenomenon in which the largest a few eigenvalues dominate the embedding space, through empirical observations and theoretical analysis. As a result, the expressive power of the learned node representations is constrained. We further propose OrthoReg, a novel GR-MLP model to mitigate the dimensional collapse issue. Through a soft regularization loss on the correlation matrix of node embeddings, OrthoReg explicitly encourages orthogonal node representations and thus can naturally avoid dimensionally collapsed representations. Experiments on traditional transductive semi-supervised classification tasks and inductive node classification for cold-start scenarios demonstrate its effectiveness and superiority.

Scaling Knowledge Graph Embedding Models

Developing scalable solutions for training Graph Neural Networks (GNNs) for link prediction tasks is challenging due to the high data dependencies which entail high computational cost and huge memory footprint. We propose a new method for scaling training of knowledge graph embedding models for link prediction to address these challenges. Towards this end, we propose the following algorithmic strategies: self-sufficient partitions, constraint-based negative sampling, and edge mini-batch training. Both, partitioning strategy and constraint-based negative sampling, avoid cross partition data transfer during training. In our experimental evaluation, we show that our scaling solution for GNN-based knowledge graph embedding models achieves a 16x speed up on benchmark datasets while maintaining a comparable model performance as non-distributed methods on standard metrics.

Medical Entity Disambiguation Using Graph Neural Networks

Medical knowledge bases (KBs), distilled from biomedical literature and regulatory actions, are expected to provide high-quality information to facilitate clinical decision making. Entity disambiguation (also referred to as entity linking) is considered as an essential task in unlocking the wealth of such medical KBs. However, existing medical entity disambiguation methods are not adequate due to word discrepancies between the entities in the KB and the text snippets in the source documents. Recently, graph neural networks (GNNs) have proven to be very effective and provide state-of-the-art results for many real-world applications with graph-structured data. In this paper, we introduce ED-GNN based on three representative GNNs (GraphSAGE, R-GCN, and MAGNN) for medical entity disambiguation. We develop two optimization techniques to fine-tune and improve ED-GNN. First, we introduce a novel strategy to represent entities that are mentioned in text snippets as a query graph. Second, we design an effective negative sampling strategy that identifies hard negative samples to improve the model's disambiguation capability. Compared to the best performing state-of-the-art solutions, our ED-GNN offers an average improvement of 7.3% in terms of F1 score on five real-world datasets.

Knowledge Graph Embedding using Graph Convolutional Networks with Relation-Aware Attention

Knowledge graph embedding methods learn embeddings of entities and relations in a low dimensional space which can be used for various downstream machine learning tasks such as link prediction and entity matching. Various graph convolutional network methods have been proposed which use different types of information to learn the features of entities and relations. However, these methods assign the same weight (importance) to the neighbors when aggregating the information, ignoring the role of different relations with the neighboring entities. To this end, we propose a relation-aware graph attention model that leverages relation information to compute different weights to the neighboring nodes for learning embeddings of entities and relations. We evaluate our proposed approach on link prediction and entity matching tasks. Our experimental results on link prediction on three datasets (one proprietary and two public) and results on unsupervised entity matching on one proprietary dataset demonstrate the effectiveness of the relation-aware attention.

Relation-aware Graph Attention Model With Adaptive Self-adversarial Training

This paper describes an end-to-end solution for the relationship prediction task in heterogeneous, multi-relational graphs. We particularly address two building blocks in the pipeline, namely heterogeneous graph representation learning and negative sampling. Existing message passing-based graph neural networks use edges either for graph traversal and/or selection of message encoding functions. Ignoring the edge semantics could have severe repercussions on the quality of embeddings, especially when dealing with two nodes having multiple relations. Furthermore, the expressivity of the learned representation depends on the quality of negative samples used during training. Although existing hard negative sampling techniques can identify challenging negative relationships for optimization, new techniques are required to control false negatives during training as false negatives could corrupt the learning process. To address these issues, first, we propose RelGNN -- a message passing-based heterogeneous graph attention model. In particular, RelGNN generates the states of different relations and leverages them along with the node states to weigh the messages. RelGNN also adopts a self-attention mechanism to balance the importance of attribute features and topological features for generating the final entity embeddings. Second, we introduce a parameter-free negative sampling technique -- adaptive self-adversarial (ASA) negative sampling. ASA reduces the false-negative rate by leveraging positive relationships to effectively guide the identification of true negative samples. Our experimental evaluation demonstrates that RelGNN optimized by ASA for relationship prediction improves state-of-the-art performance across established benchmarks as well as on a real industrial dataset.