摘要
由一名新闻记者-机器人与机器学习日报的工作人员新闻编辑每日新闻-机器学习的新研究是一篇报道的主题。据新闻报道《新闻周刊》记者在捷克共和国布拉格进行的报道，研究称，“与《新闻周刊》不同的是，”能量是标量性质，机器学习(ML)矢量或张量属性姿态的预测另一个挑战是实现相对于分子旋转的适当不变性（协方差）。为了分子动力学(MD)所需要的能量梯度,当能量梯度达到时,这种对称性就会自动实现取能量的解析导数，它是标量不变量（使用适当不变量分子描述符）。
Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning DailyNews Daily News – New research on Machine Learning is th e subject of a report. According to newsreporting originating in Prague, Czech Republic, by NewsRx journalists, research stated, “Unlike with theenergy, which is a scalar property, machine learning (ML) prediction of vector or tensor prop erties posesthe additional challenge of achieving proper invariance (covariance ) with respect to molecular rotation. Forthe energy gradients needed in molecul ar dynamics (MD), this symmetry is automatically fulfilled whentaking analytic derivative of the energy, which is a scalar invariant (using properly invariant moleculardescriptors).”
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