Applications involving optimization over graphs include molecular design, graph neural network verification, neural architecture search, etc. This talk discusses formulating graph spaces using mixed-integer optimization and incorporating application-specific constraints. We discuss computational challenges with these mixed-integer optimization formulations and zoom in on the practical implications for these applications. We mention what has been done (by both ourselves and others) and what other research still needs to be done.
Co-authors: Shiqiang Zhang, Yilin Xie, Christopher Hojny, Juan Campos, Jixiang Qing, Christian Feldmann, David Walz, Frederik Sandfort, Miriam Mathea, Calvin Tsay
This talk is hosted by Rutherford Appleton Laboratory, Harwell Campus