Optimizing chemical properties is a challenging task due to the vastness and complexity of chemical space. Here, we present a generative energy-based architecture for implicit chemical property optimization, designed to efficiently generate molecules that satisfy target properties without explicit conditional generation. We use Graph Energy Based Models and a training approach that does not require property labels.

High-quality synthetic data can support the development of effective predictive models for biomedical tasks, especially in rare diseases or when subject to compelling privacy constraints. These limitations, for instance, negatively impact open access to electrocardiography datasets about arrhythmias. This work introduces a self-supervised approach to the generation of synthetic electrocardiography time series which is shown to promote morphological plausibility. Our model (ECGAN) allows conditioning the generative process for specific rhythm abnormalities, enhancing synchronization and diversity across samples with respect to literature models. A dedicated sample quality assessment framework is also defined, leveraging arrhythmia classifiers. The empirical results highlight a substantial improvement against state-of-the-art generative models for sequences and audio synthesis.