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NV center based nano-NMR enhanced by deep learning

N. Aharon, Amit Rotem, Liam Paul McGuinness, Fedor Jelezko, Alex Retzker, Zohar Ringel

Published Nov 28, 2019• 21 citations
Publisher

Abstract

The growing field of nano nuclear magnetic resonance (nano-NMR) seeks to estimate spectra or discriminate between spectra of minuscule amounts of complex molecules. While this field holds great promise, nano-NMR experiments suffer from detrimental inherent noise. This strong noise masks to the weak signal and results in a very low signal-to-noise ratio. Moreover, the noise model is usually complex and unknown, which renders the data processing of the measurement results very complicated. Hence, spectra discrimination is hard to achieve and in particular, it is difficult to reach the optimal discrimination. In this work we present strong indications that this difficulty can be overcome by deep learning (DL) algorithms. The DL algorithms can mitigate the adversarial effects of the noise efficiently by effectively learning the noise model. We show that in the case of frequency discrimination DL algorithms reach the optimal discrimination without having any pre-knowledge of the physical model. Moreover, the DL discrimination scheme outperform Bayesian methods when verified on noisy experimental data obtained by a single Nitrogen-Vacancy (NV) center. In the case of frequency resolution we show that this approach outperforms Bayesian methods even when the latter have full pre-knowledge of the noise model and the former has none. These DL algorithms also emerge as much more efficient in terms of computational resources and run times. Since in many real-world scenarios the noise is complex and difficult to model, we argue that DL is likely to become a dominant tool in the field.

DOI
10.18725/oparu-35236

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The growing field of nano nuclear magnetic resonance (nano-NMR) seeks to estimate spectra or discriminate between spectra of minuscule amounts of complex molecules. While this field holds great promise, nano-NMR experiments suffer from detrimental inherent noise. This strong noise masks to the weak signal and results in a very low signal-to-noise ratio. Moreover, the noise model is usually complex and unknown, which renders the data processing of the measurement results very complicated. Hence, spectra discrimination is hard to achieve and in particular, it is difficult to reach the optimal discrimination. In this work we present strong indications that this difficulty can be overcome by deep learning (DL) algorithms. The DL algorithms can mitigate the adversarial effects of the noise efficiently by effectively learning the noise model. We show that in the case of frequency discrimination DL algorithms reach the optimal discrimination without having any pre-knowledge of the physical model. Moreover, the DL discrimination scheme outperform Bayesian methods when verified on noisy experimental data obtained by a single Nitrogen-Vacancy (NV) center. In the case of frequency resolution we show that this approach outperforms Bayesian methods even when the latter have full pre-knowledge of the noise model and the former has none. These DL algorithms also emerge as much more efficient in terms of computational resources and run times. Since in many real-world scenarios the noise is complex and difficult to model, we argue that DL is likely to become a dominant tool in the field.
The growing field of nano nuclear magnetic resonance (nano-NMR) seeks to estimate spectra or discriminate between spectra of minuscule amounts of complex molecules. While this field holds great promise, nano-NMR experiments suffer from detrimental inherent noise. This strong noise masks to the weak signal and results in a very low signal-to-noise ratio. Moreover, the noise model is usually complex and unknown, which renders the data processing of the measurement results very complicated. Hence, spectra discrimination is hard to achieve and in particular, it is difficult to reach the optimal discrimination. In this work we present strong indications that this difficulty can be overcome by deep learning (DL) algorithms. The DL algorithms can mitigate the adversarial effects of the noise efficiently by effectively learning the noise model. We show that in the case of frequency discrimination DL algorithms reach the optimal discrimination without having any pre-knowledge of the physical model. Moreover, the DL discrimination scheme outperform Bayesian methods when verified on noisy experimental data obtained by a single Nitrogen-Vacancy (NV) center. In the case of frequency resolution we show that this approach outperforms Bayesian methods even when the latter have full pre-knowledge of the noise model and the former has none. These DL algorithms also emerge as much more efficient in terms of computational resources and run times. Since in many real-world scenarios the noise is complex and difficult to model, we argue that DL is likely to become a dominant tool in the field.
Abstract Two-dimensional nuclear magnetic resonance (NMR) is indispensable to molecule structure determination. Nitrogen-vacancy center in diamond has been proposed and developed as an outstanding quantum sensor to realize NMR in nanoscale or even single molecule. However, like conventional multi-dimensional NMR, a more efficient data accumulation and processing method is necessary to realize applicable two-dimensional (2D) nanoscale NMR with a high spatial resolution nitrogen-vacancy sensor. Deep learning is an artificial algorithm, which mimics the network of neurons of human brain, has been demonstrated superb capability in pattern identifying and noise canceling. Here we report a method, combining deep learning and sparse matrix completion, to speed up 2D nanoscale NMR spectroscopy. The signal-to-noise ratio is enhanced by 5.7 ± 1.3 dB in 10% sampling coverage by an artificial intelligence protocol on 2D nanoscale NMR of a single nuclear spin cluster. The artificial intelligence algorithm enhanced 2D nanoscale NMR protocol intrinsically suppresses the observation noise and thus improves sensitivity.
Quantum sensors leverage matter's quantum properties to enable measurements with unprecedented spatial and spectral resolution. Among these sensors, those utilizing nitrogen-vacancy (NV) centers in diamond offer the distinct advantage of operating at room temperature. Nevertheless, signals received from NV centers are often complex, making interpretation challenging. This is especially relevant in low magnetic field scenarios, where standard approximations for modeling the system fail. Additionally, NV signals feature a prominent noise component. In this Letter, we present a signal-to-image deep learning model capable of automatically inferring the number of nuclear spins surrounding a NV sensor and the hyperfine couplings between the sensor and the nuclear spins. Our model is trained to operate effectively across various magnetic field scenarios, requires no prior knowledge of the involved nuclei, and is designed to handle noisy signals, leading to fast characterization of nuclear environments in real experimental conditions. With detailed numerical simulations, we test the performance of our model in scenarios involving varying numbers of nuclei, achieving an average error of less than 2 kHz in the estimated hyperfine constants.
Nitrogen-vacancy (NV) centers in diamond are a versatile quantum sensing platform for high sensitivity measurements of magnetic fields, temperature and strain with nanoscale spatial resolution. A common bottleneck is the analysis of optically detected magnetic resonance (ODMR) spectra, where target quantities are encoded in resonance features. Conventional nonlinear fitting is often computationally expensive, sensitive to initialization, and prone to failure at low signal-to-noise ratio (SNR). Here we introduce a robust, efficient machine learning (ML) framework for real-time ODMR analysis based on a one-dimensional convolutional neural network (1D-CNN). The model performs direct parameter inference without initial guesses or iterative optimization, and is naturally parallelizable on graphics processing units (GPU) for high-throughput processing. We validate the approach on both synthetic and experimental datasets, showing improved throughput, accuracy and robustness than standard nonlinear fitting, with the largest gains in the low-SNR regime. We further validate our methods in two representative sensing applications: diagnosing intracellular temperature changes using nanodiamond probes and widefield magnetic imaging of superconducting vortices in a high-temperature superconductor. This deep-learning inference framework enables fast and reliable extraction of physical parameters from complex ODMR data and provides a scalable route to real-time quantum sensing and imaging.
The nitrogen vacancy (NV) center in diamond is explored as a nanoscale nuclear magnetic resonance (nano-NMR) sensor.This work improves upon the current state of the art of nano-NMR with single NV centers in three ways.First, the fluorescent signal from single NV centers in diamond is enhanced with nanopillars optimized for use with NV centers 5 nm below the diamond surface for nano-NMR sensing.Second, the conventional parametric model used to analyze measurement data obtained by the widely used XY8nano-NMR pulse sequence is modified to reflect the physical nature of the data more accurately by replacing the static model with a time-dependent photon emissions process representation of the data.Third, an efficient method to process data from the recently developed quantum heterodyne (qdyne) pulse sequence is proposed, which removes the need to perform auxiliary measurements and is also effective as a real-time litmus test for the detection of NMR signals in qdyne measurements.
Nuclear magnetic resonance (NMR) spectroscopy is widely used in fields ranging from chemistry, materials science to neuroscience. Nanoscale NMR spectroscopy using Nitrogen-vacancy (NV) centers in diamond has emerged as a promising platform due to an unprecedented sensitivity down to the single spin level. At the nanoscale, high nuclear spin polarization through spin fluctuations (statistical polarization) far outweighs thermal polarization. However, until now efficient NMR detection using coherent averaging techniques could not be applied to the detection of statistical polarization, leading to long measurement times. Here we present two protocols to enable coherent averaging of statistically oscillating signals through rectification. We demonstrate these protocols on an artificial radiofrequency signal detected with a single NV center at 2.7 T. The signal-to-noise scaling with number of measurements 𝑁 increases from 𝑁0.5 to 𝑁1, improving the measurement time significantly. The relevance of rectification for the detection of statistically polarized nuclear spins using ensembles of NV centers is outlined, paving the way for efficient nanoscale NMR spectroscopy.