VAE 是否擅长重构分子图？（英文版）

英文标题：Are VAEs Bad at Reconstructing Molecular Graphs?中文摘要：研究了多个当代分子生成模型在同等条件下的表现，发现它们的重构准确度令人惊讶地低，并且对于图分子的重构存在后验坍塌现象，但这并不直接导致更好的样本采样或优化性能。英文摘要：Many contemporary generative models of molecules are variationalauto-encoders of molecular graphs. One term in their training loss pertains toreconstructing the input, yet reconstruction capabilities of state-of-the-artmodels have not yet been thoroughly compared on a large and chemically diversedataset. In this work, we show that when several state-of-th