论文标题

具有约束对抗网络的结构化对象的有效生成

Efficient Generation of Structured Objects with Constrained Adversarial Networks

论文作者

Di Liello, Luca, Ardino, Pierfrancesco, Gobbi, Jacopo, Morettin, Paolo, Teso, Stefano, Passerini, Andrea

论文摘要

生成的对抗网络(GAN)难以生成分子和游戏图等结构化对象。问题在于,结构化对象必须满足硬要求(例如,分子必须在化学上有效),这些要求很难单独从示例中获取。作为一种补救措施,我们提出了受约束的对抗网络(罐),这是在训练过程中将约束嵌入模型中的gan的扩展。这是通过按比例分配给无效结构的质量来惩罚发电机来实现的。与其他生成模型相反,罐子支持有效结构的有效推理(具有很高的概率),并允许在推理时打开和关闭学习的约束。罐子处理任意的逻辑约束并利用知识汇编技术,以有效评估模型和约束之间的分歧。我们的设置进一步扩展到混合逻辑神经的约束,以捕获非常复杂的约束,例如图形可及性。广泛的经验分析表明,可以有效地生成高质量且新颖的有效结构。

Generative Adversarial Networks (GANs) struggle to generate structured objects like molecules and game maps. The issue is that structured objects must satisfy hard requirements (e.g., molecules must be chemically valid) that are difficult to acquire from examples alone. As a remedy, we propose Constrained Adversarial Networks (CANs), an extension of GANs in which the constraints are embedded into the model during training. This is achieved by penalizing the generator proportionally to the mass it allocates to invalid structures. In contrast to other generative models, CANs support efficient inference of valid structures (with high probability) and allows to turn on and off the learned constraints at inference time. CANs handle arbitrary logical constraints and leverage knowledge compilation techniques to efficiently evaluate the disagreement between the model and the constraints. Our setup is further extended to hybrid logical-neural constraints for capturing very complex constraints, like graph reachability. An extensive empirical analysis shows that CANs efficiently generate valid structures that are both high-quality and novel.

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