摘要
由一位新闻记者-机器人与机器学习的工作人员新闻编辑每日新闻-关于人工智能的最新研究结果已经发表。根据NewsRx编辑在法国GIF-sur-Yvett E的新闻报道，研究表明，“水溶液中水和电解质的活性对于多种工业应用至关重要。然而，实验测定这些值是耗时的，而使用数值方法计算活度系数是具有挑战性的。”这项研究的财政支持者包括国家研究机构。我们的新闻记者引用了巴黎大学萨克雷分校的一句话:“通过在文献数据上训练神经网络模型,可以很容易地预测水和电解质的活度,而不需要任何实验。”比较了多个描述符(或特征)预测电解质活度系数和电解质溶液中水活度的方法.基于Levenberg-Marquardt算法(LM-NN)的神经网络虽然训练数据集很小,但计算精度很高.即使在看不见的数据下,电解质活度系数和电解质溶液中水活度也能准确预测.使用简单的描述，如电解质浓度，离子大小和电荷。然而，由于训练数据缺乏代表性，观察到一些偏差。这可以通过选择与未知值相似的训练数据集(例如周期表的同一组)或通过包括所考虑盐的可用实验数据来解决。
Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-Current study results on artificial in telligence have been published. According to news reporting out of Gif-sur-Yvett e, France, by NewsRx editors, research stated, "Activity of water and electrolyt es in aqueous solutions is of utmost importance for multiple industrial applicat ions. However, experimental determination of such values is time-consuming, whil e calculation of activity coefficients using numerical methods is challenging." Financial supporters for this research include Agence Nationale De La Recherche. Our news journalists obtained a quote from the research from University of Paris Saclay: "By training neural networks models on literature data, one could predi ct activity of water and electrolytes easily, without requiring any experiment. In this paper, multiple descriptors (or features) are compared to predict activi ty coefficients of electrolytes and activity of water in electrolyte solutions. A neural network based on the Levenberg-Marquardt algorithm (LM-NN) showed high accuracy to calculate values, despite the small size of the training datasets. B oth activity coefficients of electrolytes and activity of water in electrolyte s olutions can be predicted accurately even on unseen data, using simple descripto rs such as electrolyte concentration, ion sizes and charges. However, some discr epancies were observed due to the lack of representativeness of the training dat aset. This could be solved by selecting training data sets that are similar (e.g . same group of the periodic table) to the unknown values, or by including avail able experimental data for the salt considered."
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