MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

Drug discovery typically consists of multiple steps, including identifying a target protein key to a disease's etiology, validating that interacting with this target could prevent symptoms or cure the disease, discovering a small molecule or biologic therapeutic to interact with it, and optimizing the candidate molecule through a complex landscape of required properties. Drug discovery related tasks often involve prediction and generation while considering multiple entities that potentially interact, which poses a challenge for typical AI models. For this purpose we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a method that we applied to create a versatile multi-task foundation model ibm/biomed.omics.bl.sm.ma-ted-458m that learns from large-scale biological datasets (2 billion samples) across diverse modalities, including proteins, small molecules, and genes. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. It allows combining different modalities and entity types as inputs and/or outputs. Our model handles combinations of tokens and scalars and enables the generation of small molecules and proteins, property prediction, and transcriptomic lab test predictions. We evaluated the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline, where it reaches new SOTA in 9 tasks and is comparable to SOTA in 2 tasks. This performance is achieved while using a unified architecture serving all tasks, in contrast to the original SOTA performance achieved using tailored architectures. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m.

Mammography Dual View Mass Correspondence

Standard breast cancer screening involves the acquisition of two mammography X-ray projections for each breast. Typically, a comparison of both views supports the challenging task of tumor detection and localization. We introduce a deep learning, patch-based Siamese network for lesion matching in dual-view mammography. Our locally-fitted approach generates a joint patch pair representation and comparison with a shared configuration between the two views. We performed a comprehensive set of experiments with the network on standard datasets, among them the large Digital Database for Screening Mammography (DDSM). We analyzed the effect of transfer learning with the network between different types of datasets and compared the network-based matching to using Euclidean distance by template matching. Finally, we evaluated the contribution of the matching network in a full detection pipeline. Experimental results demonstrate the promise of improved detection accuracy using our approach.