Despite broad interest in applying deep learning techniques to scientific discovery, learning interpretable formulas that accurately describe scientific data is very challenging because of the vast landscape of possible functions and the "black box" nature of deep neural networks. The key to success is to effectively integrate existing knowledge or hypotheses about the underlying structure of the data into the architecture of deep learning models to guide machine learning. Currently, such integration is commonly done through customization of the loss functions. Here we propose an alternative approach to integrate existing knowledge or hypotheses of data structure by constructing custom activation functions that reflect this structure. Specifically, we study a common case when the multivariate target function $f$ to be learned from the data is partially exchangeable, \emph{i.e.} $f(u,v,w)=f(v,u,w)$ for $u,v\in \mathbb{R}^d$. For instance, these conditions are satisfied for the classification of images that is invariant under left-right flipping. Through theoretical proof and experimental verification, we show that using an even activation function in one of the fully connected layers improves neural network performance. In our experimental 9-dimensional regression problems, replacing one of the non-symmetric activation functions with the designated "Seagull" activation function $\log(1+x^2)$ results in substantial improvement in network performance. Surprisingly, even activation functions are seldom used in neural networks. Our results suggest that customized activation functions have great potential in neural networks.
翻译:尽管对科学发现应用深层学习技术的兴趣很大,但学习精确描述科学数据的可解释公式却非常具有挑战性,因为可能的职能和深神经网络的“黑盒”性质十分广泛。成功的关键在于将关于数据基础结构的现有知识或假设有效地纳入深学习模型架构,以指导机器学习。目前,这种整合通常是通过对损失函数进行定制完成的。在这里,我们建议了一种替代方法,通过建立反映这一结构的自定义启动功能,整合现有知识或数据结构的假设。具体地说,我们研究了一个常见的情况,即从数据中学习的多变量目标函数$ff 部分可以互换,\emph{i.e}$f(u,v,w)=f(v,u)=(w)$(v,u,w)用于指导机器学习的深层学习模型结构。例如,这些条件对于在左向右翻转的图像的分类是满意的。通过理论和实验核查,我们发现,在完全连动的内层神经网络中,甚至使用一个驱动功能的激活功能已经显示,在完全连动的磁性地平流的磁级网络中, 正在改进的磁化运行中, 改进了我们运行中, 。