New Frontiers for AI-assisted Design and Discovery in Molecular Generation

Explore cutting-edge advancements in AI-assisted design and discovery for generating molecules with desirable properties in this 53-minute lecture by Vikas Garg from the Finnish Center for Artificial Intelligence. Delve into innovative approaches for overcoming challenges in searching vast combinatorial spaces, modeling complex interactions, and segregating desirable from undesirable properties. Learn about recent breakthroughs in high-quality molecule generation without validity checks, including modular flows for differential molecular generation, symmetry-induced disentanglement on graphs, and provably expressive temporal graph networks. Gain insights from Garg's extensive research experience across academia and industry, spanning protein generation, recommender systems, IoT devices, renewable energy integration, and wireless systems design.