Attend what matters: Leveraging vision foundational models for breast cancer classification using mammograms

Vision Transformers $(\texttt{ViT})$ have become the architecture of choice for many computer vision tasks, yet their performance in computer-aided diagnostics remains limited. Focusing on breast cancer detection from mammograms, we identify two main causes for this shortfall. First, medical images are high-resolution with small abnormalities, leading to an excessive number of tokens and making it difficult for the softmax-based attention to localize and attend to relevant regions. Second, medical image classification is inherently fine-grained, with low inter-class and high intra-class variability, where standard cross-entropy training is insufficient. To overcome these challenges, we propose a framework with three key components: (1) Region of interest $(\texttt{RoI})$ based token reduction using an object detection model to guide attention; (2) contrastive learning between selected $\texttt{RoI}$ to enhance fine-grained discrimination through hard-negative based training; and (3) a $\texttt{DINOv2}$ pretrained $\texttt{ViT}$ that captures localization-aware, fine-grained features instead of global $\texttt{CLIP}$ representations. Experiments on public mammography datasets demonstrate that our method achieves superior performance over existing baselines, establishing its effectiveness and potential clinical utility for large-scale breast cancer screening. Our code is available for reproducibility here: https://aih-iitd.github.io/publications/attend-what-matters

SiDGen: Structure-informed Diffusion for Generative modeling of Ligands for Proteins

Designing ligands that are both chemically valid and structurally compatible with protein binding pockets is a key bottleneck in computational drug discovery. Existing approaches either ignore structural context or rely on expensive, memory-intensive encoding that limits throughput and scalability. We present SiDGen (Structure-informed Diffusion Generator), a protein-conditioned diffusion framework that integrates masked SMILES generation with lightweight folding-derived features for pocket awareness. To balance expressivity with efficiency, SiDGen supports two conditioning pathways: a streamlined mode that pools coarse structural signals from protein embeddings and a full mode that injects localized pairwise biases for stronger coupling. A coarse-stride folding mechanism with nearest-neighbor upsampling alleviates the quadratic memory costs of pair tensors, enabling training on realistic sequence lengths. Learning stability is maintained through in-loop chemical validity checks and an invalidity penalty, while large-scale training efficiency is restored \textit{via} selective compilation, dataloader tuning, and gradient accumulation. In automated benchmarks, SiDGen generates ligands with high validity, uniqueness, and novelty, while achieving competitive performance in docking-based evaluations and maintaining reasonable molecular properties. These results demonstrate that SiDGen can deliver scalable, pocket-aware molecular design, providing a practical route to conditional generation for high-throughput drug discovery.