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Register a new userScalable and interpretable rule-based link prediction for large heterogeneous knowledge graphs
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Added by
Matthias Samwald
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Neural embedding-based machine learning models have shown promise for predicting novel links in biomedical knowledge graphs. Unfortunately, their practical utility is diminished by their lack of interpretability. Recently, the fully interpretable, rule-based algorithm AnyBURL yielded highly competitive results on many general-purpose link prediction benchmarks. However, its applicability to large-scale prediction tasks on complex biomedical knowledge bases is limited by long inference times and difficulties with aggregating predictions made by multiple rules. We improve upon AnyBURL by introducing the SAFRAN rule application framework which aggregates rules through a scalable clustering algorithm. SAFRAN yields new state-of-the-art results for fully interpretable link prediction on the established general-purpose benchmark FB15K-237 and the large-scale biomedical benchmark OpenBioLink. Furthermore, it exceeds the results of multiple established embedding-based algorithms on FB15K-237 and narrows the gap between rule-based and embedding-based algorithms on OpenBioLink. We also show that SAFRAN increases inference speeds by up to two orders of magnitude.
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Objective: To combine medical knowledge and medical data to interpretably predict the risk of disease. Methods: We formulated the disease prediction task as a random walk along a knowledge graph (KG). Specifically, we build a KG to record relationships between diseases and risk factors according to validated medical knowledge. Then, a mathematical object walks along the KG. It starts walking at a patient entity, which connects the KG based on the patient current diseases or risk factors and stops at a disease entity, which represents the predicted disease. The trajectory generated by the object represents an interpretable disease progression path of the given patient. The dynamics of the object are controlled by a policy-based reinforcement learning (RL) module, which is trained by electronic health records (EHRs). Experiments: We utilized two real-world EHR datasets to evaluate the performance of our model. In the disease prediction task, our model achieves 0.743 and 0.639 in terms of macro area under the curve (AUC) in predicting 53 circulation system diseases in the two datasets, respectively. This performance is comparable to the commonly used machine learning (ML) models in medical research. In qualitative analysis, our clinical collaborator reviewed the disease progression paths generated by our model and advocated their interpretability and reliability. Conclusion: Experimental results validate the proposed model in interpretably evaluating and optimizing disease prediction. Significance: Our work contributes to leveraging the potential of medical knowledge and medical data jointly for interpretable prediction tasks.
Neural embedding-based machine learning models have shown promise for predicting novel links in knowledge graphs. Unfortunately, their practical utility is diminished by their lack of interpretability. Recently, the fully interpretable, rule-based algorithm AnyBURL yielded highly competitive results on many general-purpose link prediction benchmarks. However, current approaches for aggregating predictions made by multiple rules are affected by redundancies. We improve upon AnyBURL by introducing the SAFRAN rule application framework, which uses a novel aggregation approach called Non-redundant Noisy-OR that detects and clusters redundant rules prior to aggregation. SAFRAN yields new state-of-the-art results for fully interpretable link prediction on the established general-purpose benchmarks FB15K-237, WN18RR and YAGO3-10. Furthermore, it exceeds the results of multiple established embedding-based algorithms on FB15K-237 and WN18RR and narrows the gap between rule-based and embedding-based algorithms on YAGO3-10.
Rule-based models are often used for data analysis as they combine interpretability with predictive power. We present RuleKit, a versatile tool for rule learning. Based on a sequential covering induction algorithm, it is suitable for classification, regression, and survival problems. The presence of a user-guided induction facilitates verifying hypotheses concerning data dependencies which are expected or of interest. The powerful and flexible experimental environment allows straightforward investigation of different induction schemes. The analysis can be performed in batch mode, through RapidMiner plug-in, or R package. A documented Java API is also provided for convenience. The software is publicly available at GitHub under GNU AGPL-3.0 license.
Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark tasks by simply operating on graph-smoothed node features, rather than using end-to-end learned feature hierarchies that are challenging to scale to large graphs. In this work, we ask whether these results can be extended to heterogeneous graphs, which encode multiple types of relationship between different entities. We propose Neighbor Averaging over Relation Subgraphs (NARS), which trains a classifier on neighbor-averaged features for randomly-sampled subgraphs of the metagraph of relations. We describe optimizations to allow these sets of node features to be computed in a memory-efficient way, both at training and inference time. NARS achieves a new state of the art accuracy on several benchmark datasets, outperforming more expensive GNN-based methods
The incompleteness of Knowledge Graphs (KGs) is a crucial issue affecting the quality of AI-based services. In the scholarly domain, KGs describing research publications typically lack important information, hindering our ability to analyse and predict research dynamics. In recent years, link prediction approaches based on Knowledge Graph Embedding models became the first aid for this issue. In this work, we present Trans4E, a novel embedding model that is particularly fit for KGs which include N to M relations with N$gg$M. This is typical for KGs that categorize a large number of entities (e.g., research articles, patents, persons) according to a relatively small set of categories. Trans4E was applied on two large-scale knowledge graphs, the Academia/Industry DynAmics (AIDA) and Microsoft Academic Graph (MAG), for completing the information about Fields of Study (e.g., neural networks, machine learning, artificial intelligence), and affiliation types (e.g., education, company, government), improving the scope and accuracy of the resulting data. We evaluated our approach against alternative solutions on AIDA, MAG, and four other benchmarks (FB15k, FB15k-237, WN18, and WN18RR). Trans4E outperforms the other models when using low embedding dimensions and obtains competitive results in high dimensions.
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