Due to the increasing adoption of electronic health records (EHR), large scale EHRs have become another rich data source for translational clinical research. Despite its potential, deriving generalizable knowledge from EHR data remains challenging. First, EHR data are generated as part of clinical care with data elements too detailed and fragmented for research. Despite recent progress in mapping EHR data to common ontology with hierarchical structures, much development is still needed to enable automatic grouping of local EHR codes to meaningful clinical concepts at a large scale. Second, the total number of unique EHR features is large, imposing methodological challenges to derive reproducible knowledge graph, especially when interest lies in conditional dependency structure. Third, the detailed EHR data on a very large patient cohort imposes additional computational challenge to deriving a knowledge network. To overcome these challenges, we propose to infer the conditional dependency structure among EHR features via a latent graphical block model (LGBM). The LGBM has a two layer structure with the first providing semantic embedding vector (SEV) representation for the EHR features and the second overlaying a graphical block model on the latent SEVs. The block structures on the graphical model also allows us to cluster synonymous features in EHR. We propose to learn the LGBM efficiently, in both statistical and computational sense, based on the empirical point mutual information matrix. We establish the statistical rates of the proposed estimators and show the perfect recovery of the block structure. Numerical results from simulation studies and real EHR data analyses suggest that the proposed LGBM estimator performs well in finite sample.
Inductive knowledge graph completion has been considered as the task of predicting missing triplets between new entities that are not observed during training. While most inductive knowledge graph completion methods assume that all entities can be new, they do not allow new relations to appear at inference time. This restriction prohibits the existing methods from appropriately handling real-world knowledge graphs where new entities accompany new relations. In this paper, we propose an INductive knowledge GRAph eMbedding method, InGram, that can generate embeddings of new relations as well as new entities at inference time. Given a knowledge graph, we define a relation graph as a weighted graph consisting of relations and the affinity weights between them. Based on the relation graph and the original knowledge graph, InGram learns how to aggregate neighboring embeddings to generate relation and entity embeddings using an attention mechanism. Experimental results show that InGram outperforms 14 different state-of-the-art methods on varied inductive learning scenarios.
Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates the limited efficacy of these embedding algorithms when applied to biomedical knowledge graphs, raising the question of whether knowledge graph embeddings have limitations in biomedical settings. This study aims to apply state-of-the-art knowledge graph embedding models in the context of a recent biomedical knowledge graph, BioKG, and evaluate their performance and potential downstream uses. We achieve a three-fold improvement in terms of performance based on the HITS@10 score over previous work on the same biomedical knowledge graph. Additionally, we provide interpretable predictions through a rule-based method. We demonstrate that knowledge graph embedding models are applicable in practice by evaluating the best-performing model on four tasks that represent real-life polypharmacy situations. Results suggest that knowledge learnt from large biomedical knowledge graphs can be transferred to such downstream use cases. Our code is available at https://github.com/aryopg/biokge.
In the graph node embedding problem, embedding spaces can vary significantly for different data types, leading to the need for different GNN model types. In this paper, we model the embedding update of a node feature as a Hamiltonian orbit over time. Since the Hamiltonian orbits generalize the exponential maps, this approach allows us to learn the underlying manifold of the graph in training, in contrast to most of the existing literature that assumes a fixed graph embedding manifold with a closed exponential map solution. Our proposed node embedding strategy can automatically learn, without extensive tuning, the underlying geometry of any given graph dataset even if it has diverse geometries. We test Hamiltonian functions of different forms and verify the performance of our approach on two graph node embedding downstream tasks: node classification and link prediction. Numerical experiments demonstrate that our approach adapts better to different types of graph datasets than popular state-of-the-art graph node embedding GNNs. The code is available at \url{https://github.com/zknus/Hamiltonian-GNN}.
Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central approach to manifold learning, and hyperbolic geometry. Specifically, using diffusion geometry, we build multi-scale densities on the data, aimed to reveal their hierarchical structure, and then embed them into a product of hyperbolic spaces. We show theoretically that our embedding and distance recover the underlying hierarchical structure. In addition, we demonstrate the efficacy of the proposed method and its advantages compared to existing methods on graph embedding benchmarks and hierarchical datasets.
Recent studies on automatic note generation have shown that doctors can save significant amounts of time when using automatic clinical note generation (Knoll et al., 2022). Summarization models have been used for this task to generate clinical notes as summaries of doctor-patient conversations (Krishna et al., 2021; Cai et al., 2022). However, assessing which model would best serve clinicians in their daily practice is still a challenging task due to the large set of possible correct summaries, and the potential limitations of automatic evaluation metrics. In this paper, we study evaluation methods and metrics for the automatic generation of clinical notes from medical conversations. In particular, we propose new task-specific metrics and we compare them to SOTA evaluation metrics in text summarization and generation, including: (i) knowledge-graph embedding-based metrics, (ii) customized model-based metrics, (iii) domain-adapted/fine-tuned metrics, and (iv) ensemble metrics. To study the correlation between the automatic metrics and manual judgments, we evaluate automatic notes/summaries by comparing the system and reference facts and computing the factual correctness, and the hallucination and omission rates for critical medical facts. This study relied on seven datasets manually annotated by domain experts. Our experiments show that automatic evaluation metrics can have substantially different behaviors on different types of clinical notes datasets. However, the results highlight one stable subset of metrics as the most correlated with human judgments with a relevant aggregation of different evaluation criteria.
A hyper-relational knowledge graph has been recently studied where a triplet is associated with a set of qualifiers; a qualifier is composed of a relation and an entity, providing auxiliary information for a triplet. While existing hyper-relational knowledge graph embedding methods assume that the entities are discrete objects, some information should be represented using numeric values, e.g., (J.R.R., was born in, 1892). Also, a triplet (J.R.R., educated at, Oxford Univ.) can be associated with a qualifier such as (start time, 1911). In this paper, we propose a unified framework named HyNT that learns representations of a hyper-relational knowledge graph containing numeric literals in either triplets or qualifiers. We define a context transformer and a prediction transformer to learn the representations based not only on the correlations between a triplet and its qualifiers but also on the numeric information. By learning compact representations of triplets and qualifiers and feeding them into the transformers, we reduce the computation cost of using transformers. Using HyNT, we can predict missing numeric values in addition to missing entities or relations in a hyper-relational knowledge graph. Experimental results show that HyNT significantly outperforms state-of-the-art methods on real-world datasets.
The main objective of Knowledge Graph (KG) embeddings is to learn low-dimensional representations of entities and relations, enabling the prediction of missing facts. A significant challenge in achieving better KG embeddings lies in capturing relation patterns, including symmetry, antisymmetry, inversion, commutative composition, non-commutative composition, hierarchy, and multiplicity. This study introduces a novel model called 3H-TH (3D Rotation and Translation in Hyperbolic space) that captures these relation patterns simultaneously. In contrast, previous attempts have not achieved satisfactory performance across all the mentioned properties at the same time. The experimental results demonstrate that the new model outperforms existing state-of-the-art models in terms of accuracy, hierarchy property, and other relation patterns in low-dimensional space, meanwhile performing similarly in high-dimensional space.
We propose KGT5-context, a simple sequence-to-sequence model for link prediction (LP) in knowledge graphs (KG). Our work expands on KGT5, a recent LP model that exploits textual features of the KG, has small model size, and is scalable. To reach good predictive performance, however, KGT5 relies on an ensemble with a knowledge graph embedding model, which itself is excessively large and costly to use. In this short paper, we show empirically that adding contextual information - i.e., information about the direct neighborhood of the query entity - alleviates the need for a separate KGE model to obtain good performance. The resulting KGT5-context model is simple, reduces model size significantly, and obtains state-of-the-art performance in our experimental study.
Recent years have witnessed remarkable progress on knowledge graph embedding (KGE) methods to learn the representations of entities and relations in static knowledge graphs (SKGs). However, knowledge changes over time. In order to represent the facts happening in a specific time, temporal knowledge graph (TKG) embedding approaches are put forward. While most existing models ignore the independence of semantic and temporal information. We empirically find that current models have difficulty distinguishing representations of the same entity or relation at different timestamps. In this regard, we propose a TimeLine-Traced Knowledge Graph Embedding method (TLT-KGE) for temporal knowledge graph completion. TLT-KGE aims to embed the entities and relations with timestamps as a complex vector or a quaternion vector. Specifically, TLT-KGE models semantic information and temporal information as different axes of complex number space or quaternion space. Meanwhile, two specific components carving the relationship between semantic and temporal information are devised to buoy the modeling. In this way, the proposed method can not only distinguish the independence of the semantic and temporal information, but also establish a connection between them. Experimental results on the link prediction task demonstrate that TLT-KGE achieves substantial improvements over state-of-the-art competitors. The source code will be available on https://github.com/zhangfw123/TLT-KGE.
We consider a contrastive learning approach to knowledge graph embedding (KGE) via InfoNCE. For KGE, efficient learning relies on augmenting the training data with negative triples. However, most KGE works overlook the bias from generating the negative triples-false negative triples (factual triples missing from the knowledge graph). We argue that the generation of high-quality (i.e., hard) negative triples might lead to an increase in false negative triples. To mitigate the impact of false negative triples during the generation of hard negative triples, we propose the Hardness and Structure-aware (\textbf{HaSa}) contrastive KGE method, which alleviates the effect of false negative triples while generating the hard negative triples. Experiments show that HaSa improves the performance of InfoNCE-based KGE approaches and achieves state-of-the-art results in several metrics for WN18RR datasets and competitive results for FB15k-237 datasets compared to both classic and pre-trained LM-based KGE methods.
Recent studies have experimentally shown that we can achieve in non-Euclidean metric space effective and efficient graph embedding, which aims to obtain the vertices' representations reflecting the graph's structure in the metric space. Specifically, graph embedding in hyperbolic space has experimentally succeeded in embedding graphs with hierarchical-tree structure, e.g., data in natural languages, social networks, and knowledge bases. However, recent theoretical analyses have shown a much higher upper bound on non-Euclidean graph embedding's generalization error than Euclidean one's, where a high generalization error indicates that the incompleteness and noise in the data can significantly damage learning performance. It implies that the existing bound cannot guarantee the success of graph embedding in non-Euclidean metric space in a practical training data size, which can prevent non-Euclidean graph embedding's application in real problems. This paper provides a novel upper bound of graph embedding's generalization error by evaluating the local Rademacher complexity of the model as a function set of the distances of representation couples. Our bound clarifies that the performance of graph embedding in non-Euclidean metric space, including hyperbolic space, is better than the existing upper bounds suggest. Specifically, our new upper bound is polynomial in the metric space's geometric radius $R$ and can be $O(\frac{1}{S})$ at the fastest, where $S$ is the training data size. Our bound is significantly tighter and faster than the existing one, which can be exponential to $R$ and $O(\frac{1}{\sqrt{S}})$ at the fastest. Specific calculations on example cases show that graph embedding in non-Euclidean metric space can outperform that in Euclidean space with much smaller training data than the existing bound has suggested.
Random graphs are increasingly becoming objects of interest for modeling networks in a wide range of applications. Latent position random graph models posit that each node is associated with a latent position vector, and that these vectors follow some geometric structure in the latent space. In this paper, we consider random dot product graphs, in which an edge is formed between two nodes with probability given by the inner product of their respective latent positions. We assume that the latent position vectors lie on an unknown one-dimensional curve and are coupled with a response covariate via a regression model. Using the geometry of the underlying latent position vectors, we propose a manifold learning and graph embedding technique to predict the response variable on out-of-sample nodes, and we establish convergence guarantees for these responses. Our theoretical results are supported by simulations and an application to Drosophila brain data.
Graph representation learning models aim to represent the graph structure and its features into low-dimensional vectors in a latent space, which can benefit various downstream tasks, such as node classification and link prediction. Due to its powerful graph data modelling capabilities, various graph embedding models and libraries have been proposed to learn embeddings and help researchers ease conducting experiments. In this paper, we introduce a novel graph representation framework covering various graph embedding models, ranging from shallow to state-of-the-art models, namely Connector. First, we consider graph generation by constructing various types of graphs with different structural relations, including homogeneous, signed, heterogeneous, and knowledge graphs. Second, we introduce various graph representation learning models, ranging from shallow to deep graph embedding models. Finally, we plan to build an efficient open-source framework that can provide deep graph embedding models to represent structural relations in graphs. The framework is available at https://github.com/NSLab-CUK/Connector.
Node representation learning in a network is an important machine learning technique for encoding relational information in a continuous vector space while preserving the inherent properties and structures of the network. Recently, unsupervised node embedding methods such as DeepWalk, LINE, struc2vec, PTE, UserItem2vec, and RWJBG have emerged from the Skip-gram model and perform better performance in several downstream tasks such as node classification and link prediction than the existing relational models. However, providing post-hoc explanations of Skip-gram-based embeddings remains a challenging problem because of the lack of explanation methods and theoretical studies applicable for embeddings. In this paper, we first show that global explanations to the Skip-gram-based embeddings can be found by computing bridgeness under a spectral cluster-aware local perturbation. Moreover, a novel gradient-based explanation method, which we call GRAPH-wGD, is proposed that allows the top-q global explanations about learned graph embedding vectors more efficiently. Experiments show that the ranking of nodes by scores using GRAPH-wGD is highly correlated with true bridgeness scores. We also observe that the top-q node-level explanations selected by GRAPH-wGD have higher importance scores and produce more changes in class label prediction when perturbed, compared with the nodes selected by recent alternatives, using five real-world graphs.
Negative sampling (NS) is widely used in knowledge graph embedding (KGE), which aims to generate negative triples to make a positive-negative contrast during training. However, existing NS methods are unsuitable when multi-modal information is considered in KGE models. They are also inefficient due to their complex design. In this paper, we propose Modality-Aware Negative Sampling (MANS) for multi-modal knowledge graph embedding (MMKGE) to address the mentioned problems. MANS could align structural and visual embeddings for entities in KGs and learn meaningful embeddings to perform better in multi-modal KGE while keeping lightweight and efficient. Empirical results on two benchmarks demonstrate that MANS outperforms existing NS methods. Meanwhile, we make further explorations about MANS to confirm its effectiveness.
This paper presents a framework for learning player embeddings in competitive games and events. Players and their win-loss relationships are modeled as a skill gap graph, which is an undirected weighted graph. The player embeddings are learned from the graph using a random walk-based graph embedding method and can reflect the relative skill levels among players. Embeddings are low-dimensional vector representations that can be conveniently applied to subsequent tasks while still preserving the topological relationships in a graph. In the latter part of this paper, Graphical Elo (GElo) is introduced as an application of player embeddings when rating player skills. GElo is an extension of the classic Elo rating system. It constructs a skill gap graph based on player match histories and learns player embeddings from it. Afterward, the rating scores that were calculated by Elo are adjusted according to player activeness and cosine similarities among player embeddings. GElo can be executed offline and in parallel, and it is non-intrusive to existing rating systems. Experiments on public datasets show that GElo makes a more reliable evaluation of player skill levels than vanilla Elo. The experimental results suggest potential applications of player embeddings in competitive games and events.
Graph Convolutional Network (GCN) with the powerful capacity to explore graph-structural data has gained noticeable success in recent years. Nonetheless, most of the existing GCN-based models suffer from the notorious over-smoothing issue, owing to which shallow networks are extensively adopted. This may be problematic for complex graph datasets because a deeper GCN should be beneficial to propagating information across remote neighbors. Recent works have devoted effort to addressing over-smoothing problems, including establishing residual connection structure or fusing predictions from multi-layer models. Because of the indistinguishable embeddings from deep layers, it is reasonable to generate more reliable predictions before conducting the combination of outputs from various layers. In light of this, we propose an Alternating Graph-regularized Neural Network (AGNN) composed of Graph Convolutional Layer (GCL) and Graph Embedding Layer (GEL). GEL is derived from the graph-regularized optimization containing Laplacian embedding term, which can alleviate the over-smoothing problem by periodic projection from the low-order feature space onto the high-order space. With more distinguishable features of distinct layers, an improved Adaboost strategy is utilized to aggregate outputs from each layer, which explores integrated embeddings of multi-hop neighbors. The proposed model is evaluated via a large number of experiments including performance comparison with some multi-layer or multi-order graph neural networks, which reveals the superior performance improvement of AGNN compared with state-of-the-art models.
Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine learning and data mining. Classic graph embedding methods follow the basic idea that the embedding vectors of interconnected nodes in the graph can still maintain a relatively close distance, thereby preserving the structural information between the nodes in the graph. However, this is sub-optimal due to: (i) traditional methods have limited model capacity which limits the learning performance; (ii) existing techniques typically rely on unsupervised learning strategies and fail to couple with the latest learning paradigms; (iii) representation learning and downstream tasks are dependent on each other which should be jointly enhanced. With the remarkable success of deep learning, deep graph representation learning has shown great potential and advantages over shallow (traditional) methods, there exist a large number of deep graph representation learning techniques have been proposed in the past decade, especially graph neural networks. In this survey, we conduct a comprehensive survey on current deep graph representation learning algorithms by proposing a new taxonomy of existing state-of-the-art literature. Specifically, we systematically summarize the essential components of graph representation learning and categorize existing approaches by the ways of graph neural network architectures and the most recent advanced learning paradigms. Moreover, this survey also provides the practical and promising applications of deep graph representation learning. Last but not least, we state new perspectives and suggest challenging directions which deserve further investigations in the future.
Knowledge Graph Embedding (KGE) is a fundamental technique that extracts expressive representation from knowledge graph (KG) to facilitate diverse downstream tasks. The emerging federated KGE (FKGE) collaboratively trains from distributed KGs held among clients while avoiding exchanging clients' sensitive raw KGs, which can still suffer from privacy threats as evidenced in other federated model trainings (e.g., neural networks). However, quantifying and defending against such privacy threats remain unexplored for FKGE which possesses unique properties not shared by previously studied models. In this paper, we conduct the first holistic study of the privacy threat on FKGE from both attack and defense perspectives. For the attack, we quantify the privacy threat by proposing three new inference attacks, which reveal substantial privacy risk by successfully inferring the existence of the KG triple from victim clients. For the defense, we propose DP-Flames, a novel differentially private FKGE with private selection, which offers a better privacy-utility tradeoff by exploiting the entity-binding sparse gradient property of FKGE and comes with a tight privacy accountant by incorporating the state-of-the-art private selection technique. We further propose an adaptive privacy budget allocation policy to dynamically adjust defense magnitude across the training procedure. Comprehensive evaluations demonstrate that the proposed defense can successfully mitigate the privacy threat by effectively reducing the success rate of inference attacks from $83.1\%$ to $59.4\%$ on average with only a modest utility decrease.