Wu Mingqi, Luo Ye, Liang Faming
Shell, 150 N Dairy Ashford Rd Houston, Texas 77079, USA.
Faculty of Business and Economics University of Hong Kong Hong Kong, China.
Stat Interface. 2019;12(3):377-385. doi: 10.4310/18-sii552. Epub 2019 Jun 4.
Restricted Boltzmann machines (RBMs) have become a popular tool of feature coding or extraction for unsupervised learning in recent years. However, there still lacks an efficient algorithm for training the RBM due to that its likelihood function contains an intractable normalizing constant. The existing algorithms, such as contrastive divergence and its variants, approximate the gradient of the likelihood function using Markov chain Monte Carlo. However, the approximation is time consuming and, moreover, the approximation error often impedes the convergence of the training algorithm. This paper proposes a fast algorithm for training RBMs by treating the hidden states as missing data and then estimating the parameters of the RBM via an iterative conditional maximum likelihood estimation approach, which avoids the issue of intractable normalizing constants. The numerical results indicate that the proposed algorithm can provide a drastic improvement over the contrastive divergence algorithm in RBM training. This paper also presents an extension of the proposed algorithm for how to cope with missing data in RBM training and illustrates its application using an example about drug-target interaction prediction.
受限玻尔兹曼机(RBMs)近年来已成为无监督学习中特征编码或提取的常用工具。然而,由于其似然函数包含一个难以处理的归一化常数,目前仍缺乏一种有效的训练RBM的算法。现有的算法,如对比散度及其变体,使用马尔可夫链蒙特卡罗方法近似似然函数的梯度。然而,这种近似非常耗时,而且近似误差常常阻碍训练算法的收敛。本文提出了一种通过将隐藏状态视为缺失数据,然后通过迭代条件最大似然估计方法估计RBM参数来训练RBM的快速算法,该方法避免了难以处理的归一化常数问题。数值结果表明,所提出的算法在RBM训练中比对比散度算法有显著改进。本文还给出了所提出算法在RBM训练中如何处理缺失数据的扩展,并通过一个药物-靶点相互作用预测的例子说明了其应用。