Link prediction for hypothesis generation: an active curriculum learning infused temporal graph-based approach

Over the last few years Literature-based Discovery (LBD) has regained popularity as a means to enhance the scientific research process. The resurgent interest has spurred the development of supervised and semi-supervised machine learning models aimed at making previously implicit connections between scientific concepts/entities within often extensive bodies of literature explicit—i.e., suggesting novel scientific hypotheses. In doing so, understanding the temporally evolving interactions between these entities can provide valuable information for predicting the future development of entity relationships. However, existing methods often underutilize the latent information embedded in the temporal aspects of the interaction data. Motivated by applications in the food domain—where we aim to connect nutritional information with health-related benefits—we address the hypothesis-generation problem using a temporal graph-based approach. Given that hypothesis generation involves predicting future (i.e., still to be discovered) entity connections, in our view the ability to capture the dynamic evolution of connections over time is pivotal for a robust model. To address this, we introduce THiGER, a novel batch contrastive temporal node-pair embedding method. THiGER excels in providing a more expressive node-pair encoding by effectively harnessing node-pair relationships. Furthermore, we present THiGER-A, an incremental training approach that incorporates an active curriculum learning strategy to mitigate label bias arising from unobserved connections. By progressively training on increasingly challenging and high-utility samples, our approach significantly enhances the performance of the embedding model. Empirical validation of our proposed method demonstrates its effectiveness on established temporal-graph benchmark datasets, as well as on real-world datasets within the food domain.