2 papers
cs.LG2025
Valid Property-Enhanced Contrastive Learning for Targeted Optimization & Resampling for Novel Drug Design
Amartya Banerjee, Somnath Kar, Anirban Pal +1
Efficiently steering generative models toward pharmacologically relevant regions of chemical space remains a major obstacle in molecular drug discovery under low-data regimes. We p…
cs.LG2025
Adaptive Multimodal Protein Plug-and-Play with Diffusion-Based Priors
Amartya Banerjee, Xingyu Xu, Caroline Moosmüller +1
In an inverse problem, the goal is to recover an unknown parameter (e.g., an image) that has typically undergone some lossy or noisy transformation during measurement. Recently, de…