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Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling molecular data, they often struggle to capture the full complexity of molecular representations. In this paper, we introduce a novel method called Gode, which accounts for the dual-level structure inherent in molecules. Molecules possess an intrinsic graph structure and simultaneously function as nodes within a broader molecular knowledge graph. Gode integrates individual molecular graph representations with multi-domain biochemical data from knowledge graphs. By pre-training two GNNs on different graph structures and employing contrastive learning, Gode effectively fuses molecular structures with their corresponding knowledge graph substructures. This fusion yields a more robust and informative representation, enhancing molecular property predictions by leveraging both chemical and biological information. When fine-tuned across 11 chemical property tasks, our model significantly outperforms existing benchmarks, achieving an average ROC-AUC improvement of 12.7% for classification tasks and an average RMSE/MAE improvement of 34.4% for regression tasks. Notably, Gode surpasses the current leading model in property prediction, with advancements of 2.2% in classification and 7.2% in regression tasks. 

Abstract Applying machine learning to clinical outcome prediction is challenging due to imbalanced datasets and sensitive tasks that contain rare yet critical outcomes and where equitable treatment across diverse patient groups is essential. Despite attempts, biases in predictions persist, driven by disparities in representation and exacerbated by the scarcity of positive labels, perpetuating health inequities. This paper introduces , a synthetic data generation approach leveraging large language models, to address these issues. enhances algorithmic performance and reduces bias by creating realistic, anonymous synthetic patient data that improves representation and augments dataset patterns while preserving privacy. Through experiments on multiple datasets, we demonstrate that boosts mortality prediction performance across diverse subgroups, achieving up to a 21% improvement in F1 Score without requiring additional data or altering downstream training pipelines. Furthermore, consistently reduces subgroup performance gaps, as shown by universal improvements in performance and fairness metrics across four experimental setups. 

The development of electronic health records (EHR) systems has enabled the collection of a vast amount of digitized patient data. However, utilizing EHR data for predictive modeling presents several challenges due to its unique characteristics. With the advancements in machine learning techniques, deep learning has demonstrated its superiority in various applications, including healthcare. This survey systematically reviews recent advances in deep learning-based predictive models using EHR data. Specifically, we introduce the background of EHR data and provide a mathematical definition of the predictive modeling task. We then categorize and summarize predictive deep models from multiple perspectives. Furthermore, we present benchmarks and toolkits relevant to predictive modeling in healthcare. Finally, we conclude this survey by discussing open challenges and suggesting promising directions for future research. 

The field of relation extraction (RE) is experiencing a notable shift towards generative relation extraction (GRE), leveraging the capabilities of large language models (LLMs). However, we discovered that traditional relation extraction (RE) metrics like precision and recall fall short in evaluating GRE methods. This shortfall arises because these metrics rely on exact matching with human-annotated reference relations, while GRE methods often produce diverse and semantically accurate relations that differ from the references. To fill this gap, we introduce GENRES for a multidimensional assessment in terms of the topic similarity, uniqueness, granularity, factualness, and completeness of the GRE results. With GENRES, we empirically identified that (1) precision/recall fails to justify the performance of GRE methods; (2) human-annotated referential relations can be incomplete; (3) prompting LLMs with a fixed set of relations or entities can cause hallucinations. Next, we conducted a human evaluation of GRE methods that shows GENRES is consistent with human preferences for RE quality. Last, we made a comprehensive evaluation of fourteen leading LLMs using GENRES across document, bag, and sentence level RE datasets, respectively, to set the benchmark for future research in GRE. 

The advent of large language models (LLMs) has significantly advanced natural language processing tasks like text summarization. However, their large size and computational demands, coupled with privacy concerns in data transmission, limit their use in resourceconstrained and privacy-centric settings. To overcome this, we introduce TriSum, a framework for distilling LLMs’ text summarization abilities into a compact, local model. Initially, LLMs extract a set of aspect-triple rationales and summaries, which are refined using a dualscoring method for quality. Next, a smaller local model is trained with these tasks, employing a curriculum learning strategy that evolves from simple to complex tasks. Our method enhances local model performance on various benchmarks (CNN/DailyMail, XSum, and ClinicalTrial), outperforming baselines by 4.5%, 8.5%, and 7.4%, respectively. It also improves interpretability by providing insights into the summarization rationale. 

Abstract ObjectivesRespiratory syncytial virus (RSV) is a significant cause of pediatric hospitalizations. This article aims to utilize multisource data and leverage the tensor methods to uncover distinct RSV geographic clusters and develop an accurate RSV prediction model for future seasons. Materials and MethodsThis study utilizes 5-year RSV data from sources, including medical claims, CDC surveillance data, and Google search trends. We conduct spatiotemporal tensor analysis and prediction for pediatric RSV in the United States by designing (i) a nonnegative tensor factorization model for pediatric RSV diseases and location clustering; (ii) and a recurrent neural network tensor regression model for county-level trend prediction using the disease and location features. ResultsWe identify a clustering hierarchy of pediatric diseases: Three common geographic clusters of RSV outbreaks were identified from independent sources, showing an annual RSV trend shifting across different US regions, from the South and Southeast regions to the Central and Northeast regions and then to the West and Northwest regions, while precipitation and temperature were found as correlative factors with the coefficient of determination R2≈0.5, respectively. Our regression model accurately predicted the 2022-2023 RSV season at the county level, achieving R2≈0.3 mean absolute error MAE < 0.4 and a Pearson correlation greater than 0.75, which significantly outperforms the baselines with P-values <.05. ConclusionOur proposed framework provides a thorough analysis of RSV disease in the United States, which enables healthcare providers to better prepare for potential outbreaks, anticipate increased demand for services and supplies, and save more lives with timely interventions. 

The mission of open knowledge graph (KG) completion is to draw new findings from known facts. Existing works that augment KG completion require either (1) factual triples to enlarge the graph reasoning space or (2) manually designed prompts to extract knowledge from a pre-trained language model (PLM), exhibiting limited performance and requiring expensive efforts from experts. To this end, we propose TagReal that automatically generates quality query prompts and retrieves support information from large text corpora to probe knowledge from PLM for KG completion. The results show that TagReal achieves state-of-the-art performance on two benchmark datasets. We find that TagReal has superb performance even with limited training data, outperforming existing embedding-based, graph-based, and PLM-based methods.