Speakers
Description
The Lamarr interdisciplinary research area "AI in Life Sciences and Health" will provide an overview of its organization and scientific focal points in the life sciences including drug discovery, medicine, and health. We will introduce research groups participating in this area and key collaborations with external partners and institutions. In addition, recent research progress will be discussed.
The introductory presentation will be followed by highlighting a recent project in the XAI area, generating the computational explanations for equivariant diffusion models used for molecular design. Predictions of diffusion models are hard to rationalize, charting new territory in XAI, beyond the analysis of model-internal weights and gradients. This work reports the first explanations for diffusion models at the molecular level of detail.
