Conditional GraphGANFed: Optimizing Graph-Structured Molecule Generation in Federated Generative Adversarial Networks
Read the original on arXiv Machine Learning →The Flow has not summarised this story yet — read it at arXiv Machine Learning.
The Flow has not summarised this story yet — read it at arXiv Machine Learning.
arXiv:2608. 13256v1 Announce Type: cross Abstract: As biomedical research increasingly relies on data-intensive tools, the quality and utility of datasets are critical.
arXiv:2602. 04119v2 Announce Type: replace Abstract: The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in practice.
The paper introduces StyleGANCA, a lightweight neural cellular automata (NCA) based generative adversarial network designed for medical image synthesis. By combining a StyleGAN-inspired mapping network with adaptive style modulation in a multi-scale NCA framework, the model achieves high-quality image generation with far fewer parameters than existing adversarial, variational, diffusion, and NCA baselines. Experiments on BloodMNIST and PathMNIST show competitive FID and KID scores, and the synthetic images preserve class-specific information, effectively supporting downstream multi-class classifier training.
arXiv:2509. 26405v2 Announce Type: replace Abstract: We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules.
arXiv:2511. 19264v2 Announce Type: replace-cross Abstract: Generative Flow Networks (GFlowNets) construct molecules through sequential decisions, but their internal policies remain opaque, limiting adoption in drug discovery, where chemists need interpretable rationales for proposed structures.
arXiv:2606. 17127v1 Announce Type: cross Abstract: Antimicrobial resistance causes to over a million deaths annually.