论文标题

培训机器学习偏见,用于分析量子多体绿的功能的分析性延续

Training biases in machine learning for the analytic continuation of quantum many-body Green's functions

论文作者

Zhang, Rong, Merkel, Maximilian E., Beck, Sophie, Ederer, Claude

论文摘要

我们使用基于多级残留神经网络的机器学习来解决假想频率Green功能的分析延续的问题,这在多体物理学中至关重要。我们专门解决了由于使用人为创建的光谱功能来训练神经网络,因此可以引入潜在的偏见。我们还基于蒙特卡洛辍学,对预测的光谱函数实施了不确定性估计,该光谱函数允许识别预测可能不准确的频率区域,我们研究噪声的效果,尤其是在训练过程中与实际数据中的噪声水平不同的情况。我们的分析表明,这种方法确实可以实现高质量的预测,比广泛使用的最大熵方法可比或更好,但是目前进一步的改进受到可用于培训的真实数据的限制。我们还通过将其应用于SRVO $ _3 $的情况下,基于我们的方法,在这种情况下,使用直接在真实频率轴上工作的求解器,从动态平均值理论中获得了精确的光谱函数。

We address the problem of analytic continuation of imaginary-frequency Green's functions, which is crucial in many-body physics, using machine learning based on a multi-level residual neural network. We specifically address potential biases that can be introduced due to the use of artificially created spectral functions that are employed to train the neural network. We also implement an uncertainty estimation of the predicted spectral function, based on Monte Carlo dropout, which allows to identify frequency regions where the prediction might not be accurate, and we study the effect of noise, in particular also for situations where the noise level during training is different from that in the actual data. Our analysis demonstrates that this method can indeed achieve a high quality of prediction, comparable or better than the widely used maximum entropy method, but that further improvement is currently limited by the lack of true data that can be used for training. We also benchmark our approach by applying it to the case of SrVO$_3$, where an accurate spectral function has been obtained from dynamical mean-field theory using a solver that works directly on the real frequency axis.

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