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Weak Signal Extraction Enabled by Deep Neural Network Denoising of Diffraction Data

NATURE MACHINE INTELLIGENCE(2024)

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摘要
The removal or cancellation of noise has wide-spread applications in imaging and acoustics. In applications in everyday life, such as image restoration, denoising may even include generative aspects, which are unfaithful to the ground truth. For scientific use, however, denoising must reproduce the ground truth accurately. Denoising scientific data is further challenged by unknown noise profiles. In fact, such data will often include noise from multiple distinct sources, which substantially reduces the applicability of simulation-based approaches. Here we show how scientific data can be denoised by using a deep convolutional neural network such that weak signals appear with quantitative accuracy. In particular, we study X-ray diffraction and resonant X-ray scattering data recorded on crystalline materials. We demonstrate that weak signals stemming from charge ordering, insignificant in the noisy data, become visible and accurate in the denoised data. This success is enabled by supervised training of a deep neural network with pairs of measured low- and high-noise data. We additionally show that using artificial noise does not yield such quantitatively accurate results. Our approach thus illustrates a practical strategy for noise filtering that can be applied to challenging acquisition problems. Denoising low-counting statistics data in the presence of multiple, unknown noise profiles is a challenging task in scientific applications where high accuracy is required. Oppliger and colleagues train a deep convolutional neural network on pairs of experimental low- and high-noise X-ray diffraction data and demonstrate better performance on experimental noise filtering compared with the case of training on artificial data pairs.
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Materials Discovery
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