@InProceedings{mautner_esann19, author = {Stefan Mautner and Rolf Backofen and Fabrizio Costa}, title = {Progress Towards Graph Optimization: Efficient Learning of Vector to Graph Space Mappings}, booktitle = {ESANN 2019 - Proceedings}, year = {2019}, location = {Bruges, Belgium}, publisher = {i6doc}, isbn = {978-287587065-0}, abstract = {Optimization in vector space domains is well understood. However, in high dimensional settings or when dealing with structured data such as sequences and graphs, optimization becomes difficult. A possible strategy is to map graphs to vector codes and use machine learning to learn a map from codes back to graphs. This in turn allows to employ standard optimization techniques over vectors to optimize graphs. Here we propose an approach to invert a vector mapping based on a combination of graph kernels and graph grammars. We evaluate the proposed approach in an artificial setup and on real molecular graphs.}, user = {miladim} }