A Self-Supervised Model for Multi-modal Stroke Risk Prediction

Predicting stroke risk is a complex challenge that can be enhanced by integrating diverse clinically available data modalities. This study introduces a self-supervised multimodal framework that combines 3D brain imaging, clinical data, and image-derived features to improve stroke risk prediction prior to onset. By leveraging large unannotated clinical datasets, the framework captures complementary and synergistic information across image and tabular data modalities. Our approach is based on a contrastive learning framework that couples contrastive language-image pretraining with an image-tabular matching module, to better align multimodal data representations in a shared latent space. The model is trained on the UK Biobank, which includes structural brain MRI and clinical data. We benchmark its performance against state-of-the-art unimodal and multimodal methods using tabular, image, and image-tabular combinations under diverse frozen and trainable model settings. The proposed model outperformed self-supervised tabular (image) methods by 2.6% (2.6%) in ROC-AUC and by 3.3% (5.6%) in balanced accuracy. Additionally, it showed a 7.6% increase in balanced accuracy compared to the best multimodal supervised model. Through interpretable tools, our approach demonstrated better integration of tabular and image data, providing richer and more aligned embeddings. Gradient-weighted Class Activation Mapping heatmaps further revealed activated brain regions commonly associated in the literature with brain aging, stroke risk, and clinical outcomes. This robust self-supervised multimodal framework surpasses state-of-the-art methods for stroke risk prediction and offers a strong foundation for future studies integrating diverse data modalities to advance clinical predictive modelling.

Predicting Stroke through Retinal Graphs and Multimodal Self-supervised Learning

Early identification of stroke is crucial for intervention, requiring reliable models. We proposed an efficient retinal image representation together with clinical information to capture a comprehensive overview of cardiovascular health, leveraging large multimodal datasets for new medical insights. Our approach is one of the first contrastive frameworks that integrates graph and tabular data, using vessel graphs derived from retinal images for efficient representation. This method, combined with multimodal contrastive learning, significantly enhances stroke prediction accuracy by integrating data from multiple sources and using contrastive learning for transfer learning. The self-supervised learning techniques employed allow the model to learn effectively from unlabeled data, reducing the dependency on large annotated datasets. Our framework showed an AUROC improvement of 3.78% from supervised to self-supervised approaches. Additionally, the graph-level representation approach achieved superior performance to image encoders while significantly reducing pre-training and fine-tuning runtimes. These findings indicate that retinal images are a cost-effective method for improving cardiovascular disease predictions and pave the way for future research into retinal and cerebral vessel connections and the use of graph-based retinal vessel representations.

Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions

Computer-aided drug discovery is an essential component of modern drug development. Therein, deep learning has become an important tool for rapid screening of billions of molecules in silico for potential hits containing desired chemical features. Despite its importance, substantial challenges persist in training these models, such as severe class imbalance, high decision thresholds, and lack of ground truth labels in some datasets. In this work we argue in favor of directly optimizing the receiver operating characteristic (ROC) in such cases, due to its robustness to class imbalance, its ability to compromise over different decision thresholds, certain freedom to influence the relative weights in this compromise, fidelity to typical benchmarking measures, and equivalence to positive/unlabeled learning. We also propose new training schemes (coherent mini-batch arrangement, and usage of out-of-batch samples) for cost functions based on the ROC, as well as a cost function based on the logAUC metric that facilitates early enrichment (i.e. improves performance at high decision thresholds, as often desired when synthesizing predicted hit compounds). We demonstrate that these approaches outperform standard deep learning approaches on a series of PubChem high-throughput screening datasets that represent realistic and diverse drug discovery campaigns on major drug target families.