5 papers
OmegAMP: Targeted AMP Discovery via Biologically Informed Generation
Diogo Soares, Leon Hetzel, Paulina Szymczak +6
Deep learning-based antimicrobial peptide (AMP) discovery faces critical challenges such as limited controllability, lack of representations that efficiently model antimicrobial pr…
Flow-Based Density Ratio Estimation for Intractable Distributions with Applications in Genomics
Egor Antipov, Alessandro Palma, Lorenzo Consoli +3
Estimating density ratios between pairs of intractable data distributions is a core problem in probabilistic modeling, enabling principled comparisons of sample likelihoods under d…
Modeling Microenvironment Trajectories on Spatial Transcriptomics with NicheFlow
Kristiyan Sakalyan, Alessandro Palma, Filippo Guerranti +2
Understanding the evolution of cellular microenvironments in spatiotemporal data is essential for deciphering tissue development and disease progression. While experimental techniq…
Enforcing Latent Euclidean Geometry in Single-Cell VAEs for Manifold Interpolation
Alessandro Palma, Sergei Rybakov, Leon Hetzel +2
Latent space interpolations are a powerful tool for navigating deep generative models in applied settings. An example is single-cell RNA sequencing, where existing methods model ce…
Unified Guidance for Geometry-Conditioned Molecular Generation
Sirine Ayadi, Leon Hetzel, Johanna Sommer +2
Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative m…