MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

• URL: http://arxiv.org/abs/2410.22367v2
• Date: Fri, 01 Nov 2024 16:53:58 GMT
• Title: MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language
• Authors: Yoel Shoshan, Moshiko Raboh, Michal Ozery-Flato, Vadim Ratner, Alex Golts, Jeffrey K. Weber, Ella Barkan, Simona Rabinovici-Cohen, Sagi Polaczek, Ido Amos, Ben Shapira, Liam Hazan, Matan Ninio, Sivan Ravid, Michael M. Danziger, Joseph A. Morrone, Parthasarathy Suryanarayanan, Michal Rosen-Zvi, Efrat Hexter,
• Abstract summary: MAMMAL is a versatile multi-task multi-align foundation model that learns from large-scale biological datasets. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. We evaluate the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline.
• Score: 0.24434823694833652
• License:
• Abstract: 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 multi-align foundation model 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.

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