arXiv:2511.09573cs.LGstat.ML2025-11

无需训练成本,通过测试时分组平均提升物理模型精度

Group Averaging for Physics Applications: Accuracy Improvements at Zero Training Cost

  • 测试时对模型输出进行对称群平均,实现精确协变性
  • 在微分方程基准上,平均后误差降低最高达37%(VRMSE)
  • 适合追求高精度的物理建模研究者,操作简单无额外成本

自然科学中的许多机器学习任务具有特定对称性。尽管如此,协变方法仍常被忽略,原因可能是训练困难、对称性被认为可自动学习,或实现复杂。群平均是一种可在测试时执行的技术,使任意训练好的模型在不改变结构或训练的前提下,精确满足对称性,仅需与群大小成比例的计算开销。在温和条件下,群平均模型的预测精度理论上优于原始模型。本文验证了低成本群平均在实践中可显著提升精度:以经典微分方程模型为基准,在评估阶段对小规模对称群进行平均,结果表明平均后平均损失始终下降,最大提升达37%(VRMSE),且连续动力学预测更符合视觉预期。本研究证明,在常见情形下,强制精确对称性无副作用,建议ML4PS社区将群平均作为提升精度的廉价有效手段。

原文摘要 · Abstract (English)

Many machine learning tasks in the natural sciences are precisely equivariant to particular symmetries. Nonetheless, equivariant methods are often not employed, perhaps because training is perceived to be challenging, or the symmetry is expected to be learned, or equivariant implementations are seen as hard to build. Group averaging is an available technique for these situations. It happens at test time; it can make any trained model precisely equivariant at a (often small) cost proportional to the size of the group; it places no requirements on model structure or training. It is known that, under mild conditions, the group-averaged model will have a provably better prediction accuracy than the original model. Here we show that an inexpensive group averaging can improve accuracy in practice. We take well-established benchmark machine learning models of differential equations in which certain symmetries ought to be obeyed. At evaluation time, we average the models over a small group of symmetries. Our experiments show that this procedure always decreases the average evaluation loss, with improvements of up to 37\% in terms of the VRMSE. The averaging produces visually better predictions for continuous dynamics. This short paper shows that, under certain common circumstances, there are no disadvantages to imposing exact symmetries; the ML4PS community should consider group averaging as a cheap and simple way to improve model accuracy.

物理信息对称性模型精度零成本

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