Saigo Hiroto, Kc Dukka B, Saito Noritaka
Department of Electrical Engineering and Computer Science, Kyushu University, 744, Motooka, Nishi-ku, 819-0395, Japan.
Department of Computer Science, Michigan Technological University, Houghton, MI, 49931, USA.
Sci Rep. 2022 Apr 21;12(1):6541. doi: 10.1038/s41598-022-10278-w.
In classical machine learning, regressors are trained without attempting to gain insight into the mechanism connecting inputs and outputs. Natural sciences, however, are interested in finding a robust interpretable function for the target phenomenon, that can return predictions even outside of the training domains. This paper focuses on viscosity prediction problem in steelmaking, and proposes Einstein-Roscoe regression (ERR), which learns the coefficients of the Einstein-Roscoe equation, and is able to extrapolate to unseen domains. Besides, it is often the case in the natural sciences that some measurements are unavailable or expensive than the others due to physical constraints. To this end, we employ a transfer learning framework based on Gaussian process, which allows us to estimate the regression parameters using the auxiliary measurements available in a reasonable cost. In experiments using the viscosity measurements in high temperature slag suspension system, ERR is compared favorably with various machine learning approaches in interpolation settings, while outperformed all of them in extrapolation settings. Furthermore, after estimating parameters using the auxiliary dataset obtained at room temperature, an increase in accuracy is observed in the high temperature dataset, which corroborates the effectiveness of the proposed approach.
在经典机器学习中,回归器的训练并不试图深入了解连接输入和输出的机制。然而,自然科学感兴趣的是为目标现象找到一个强大的可解释函数,该函数甚至可以在训练域之外返回预测。本文聚焦于炼钢中的粘度预测问题,并提出了爱因斯坦-罗斯科回归(ERR),它学习爱因斯坦-罗斯科方程的系数,并能够外推到未见过的域。此外,在自然科学中,由于物理限制,一些测量往往不可用或比其他测量昂贵。为此,我们采用了基于高斯过程的迁移学习框架,这使我们能够使用成本合理的辅助测量来估计回归参数。在使用高温炉渣悬浮系统中的粘度测量进行的实验中,ERR在插值设置中与各种机器学习方法相比表现良好,而在外推设置中优于所有这些方法。此外,在使用室温下获得的辅助数据集估计参数后,高温数据集中的准确性有所提高,这证实了所提出方法的有效性。