A KAUST alumnus presented research on using large language models for complex disease modeling and drug discovery. LLMs were trained on insurance claims of 123 million US people to model diseases and predict genetic parameters. Protein language models were developed to discover remote homologs and functional biomolecules, while RNA language models were used for RNA structure prediction and reverse design. Why it matters: This work highlights the potential of LLMs to accelerate computational biology research and drug development, with a KAUST connection.
MBZUAI hosted a two-day workshop on "Big Model AI in Drug Design" starting February 20, 2023. The workshop featured presentations from researchers in public and private institutions working on AI and health. MBZUAI Adjunct Professor Eran Segal opened the workshop with a talk on the Human Phenotype Project. Why it matters: The event highlights the growing interest and activity in applying AI, particularly large models, to advance drug discovery and personalized medicine within the UAE's research ecosystem.
The paper introduces UAE-3D, a multi-modal VAE for 3D molecule generation that compresses molecules into a unified latent space, maintaining near-zero reconstruction error. This approach simplifies latent diffusion modeling by eliminating the need to handle multi-modality and equivariance separately. Experiments on GEOM-Drugs and QM9 datasets show UAE-3D establishes new benchmarks in de novo and conditional 3D molecule generation, with significant improvements in efficiency and quality.
MBZUAI's Professor Le Song is developing an AI-driven simulation to model the human body at societal, organ, tissue, cellular, and molecular levels. The goal is to reduce the time and cost associated with bringing new medicines to market by removing the need for wet lab biological research. Song aims to create a comprehensive model using machine learning. Why it matters: This research could revolutionize drug discovery in the region by accelerating the development process and reducing reliance on traditional research methods.
MBZUAI researchers have developed MorphDiff, a diffusion model that predicts cell morphology from gene expression data. MorphDiff uses the transcriptome to generate realistic post-perturbation images, either from scratch or by transforming a control image. The model combines a Morphology Variational Autoencoder (MVAE) with a Latent Diffusion Model, enabling both gene-to-image generation and image-to-image transformation. Why it matters: This could significantly accelerate drug discovery and biological research by allowing scientists to preview cellular changes before conducting experiments.