Review and Prospect: Deep Learning in Nuclear Magnetic Resonance Spectroscopy
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Abstract (arXiv)
Since the concept of Deep Learning (DL) was formally proposed in 2006, it had a major impact on academic research and industry. Nowadays, DL provides an unprecedented way to analyze and process data with demonstrated great results in computer vision, medical imaging, natural language processing, etc. In this Minireview, we summarize applications of DL in Nuclear Magnetic Resonance (NMR) spectroscopy and outline a perspective for DL as entirely new approaches that are likely to transform NMR spectroscopy into a much more efficient and powerful technique in chemistry and life science.
Key facts. Cited by 17 papers in the map (data through 14 Oct 2026). First posted on arXiv 13 Jan 2020.
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Citing papers per year: 2021: 1; 2022: 2; 2023: 4; 2024: 3; 2025: 5; 2026: 2.
17 papers.
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- 2024Materials science in the era of large language models: a perspectivecited by 24
- 2023Magnetic Resonance Spectroscopy Quantification Aided by Deep Estimations of Imperfection Factors and Macromolecular Signalcited by 6
- 2022A universal synthetic dataset for machine learning on spectroscopic datacited by 3
- 2022A Dynamics Theory of Implicit Regularization in Deep Low-Rank Matrix Factorizationcited by 1
- 2023CloudBrain-NMR: An Intelligent Cloud Computing Platform for NMR Spectroscopy Processing, Reconstruction and Analysiscited by 1
- 2023Enhancing Peak Assignment in 13C NMR Spectroscopy: A Novel Approach Using Multimodal Alignmentcited by 1
- 2024TVCondNet: A Conditional Denoising Neural Network for NMR Spectroscopycited by 1
- 2025Reevaluating Convolutional Neural Networks for Spectral Analysis: A Focus on Raman Spectroscopycited by 1
- 2026From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scalecited by 1
- 2021Magnetic Resonance Spectroscopy Deep Learning Denoising Using Few In Vivo Datacited by 0
- 2023GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networkscited by 0
- 2024Beyond traditional Magnetic Resonance processing with Artificial Intelligencecited by 0
5 more
- 2025An artificially intelligent magnetic resonance spectroscopy quantification method: Comparison between QNet and LCModel on the cloud computing platform CloudBrain-MRScited by 0
- 2025Using machine learning to map simulated noisy and laser-limited multidimensional spectra to molecular electronic couplingscited by 0
- 2025Analyse comparative d'algorithmes de restauration en architecture d'epli'ee pour des signaux chromatographiques parcimonieuxcited by 0
- 2025Quanvolutional Neural Networks for Spectrum Peak-Findingcited by 0
- 2026Data-driven Synthesis of Magnetic Resonance Spectroscopy Data using a Variational Autoencodercited by 0
- 2026Data-driven Synthesis of Magnetic Resonance Spectroscopy Data using a Variational Autoencoder28 Feb 2026
- 2026From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scale26 Jan 2026
- 2025Quanvolutional Neural Networks for Spectrum Peak-Finding15 Dec 2025
- 2025Analyse comparative d'algorithmes de restauration en architecture d'epli'ee pour des signaux chromatographiques parcimonieux1 Oct 2025
- 2025Reevaluating Convolutional Neural Networks for Spectral Analysis: A Focus on Raman Spectroscopy30 Sep 2025
- 2025Using machine learning to map simulated noisy and laser-limited multidimensional spectra to molecular electronic couplings19 Mar 2025
- 2025An artificially intelligent magnetic resonance spectroscopy quantification method: Comparison between QNet and LCModel on the cloud computing platform CloudBrain-MRS6 Mar 2025
- 2024TVCondNet: A Conditional Denoising Neural Network for NMR Spectroscopy17 May 2024
- 2024Beyond traditional Magnetic Resonance processing with Artificial Intelligence13 May 2024
- 2024Materials science in the era of large language models: a perspective11 Mar 2024
- 2023GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks28 Nov 2023
- 2023Enhancing Peak Assignment in 13C NMR Spectroscopy: A Novel Approach Using Multimodal Alignment23 Nov 2023
5 more
- 2023CloudBrain-NMR: An Intelligent Cloud Computing Platform for NMR Spectroscopy Processing, Reconstruction and Analysis12 Sep 2023
- 2023Magnetic Resonance Spectroscopy Quantification Aided by Deep Estimations of Imperfection Factors and Macromolecular Signal16 Jun 2023
- 2022A Dynamics Theory of Implicit Regularization in Deep Low-Rank Matrix Factorization29 Dec 2022
- 2022A universal synthetic dataset for machine learning on spectroscopic data13 Jun 2022
- 2021Magnetic Resonance Spectroscopy Deep Learning Denoising Using Few In Vivo Data26 Jan 2021
- 2024Materials science in the era of large language models: a perspectivecited by 24
- 2023Magnetic Resonance Spectroscopy Quantification Aided by Deep Estimations of Imperfection Factors and Macromolecular Signalcited by 6
- 2022A universal synthetic dataset for machine learning on spectroscopic datacited by 3
- 2022A Dynamics Theory of Implicit Regularization in Deep Low-Rank Matrix Factorizationcited by 1
- 2023CloudBrain-NMR: An Intelligent Cloud Computing Platform for NMR Spectroscopy Processing, Reconstruction and Analysiscited by 1
- 2023Enhancing Peak Assignment in 13C NMR Spectroscopy: A Novel Approach Using Multimodal Alignmentcited by 1
- 2024TVCondNet: A Conditional Denoising Neural Network for NMR Spectroscopycited by 1
- 2025Reevaluating Convolutional Neural Networks for Spectral Analysis: A Focus on Raman Spectroscopycited by 1
- 2026From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scalecited by 1
- 2021Magnetic Resonance Spectroscopy Deep Learning Denoising Using Few In Vivo Datacited by 0
- 2023GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networkscited by 0
- 2024Beyond traditional Magnetic Resonance processing with Artificial Intelligencecited by 0
12 most cited of 17 All 17 (JSON)
- 2026Data-driven Synthesis of Magnetic Resonance Spectroscopy Data using a Variational Autoencoder28 Feb 2026
- 2026From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scale26 Jan 2026
- 2025Quanvolutional Neural Networks for Spectrum Peak-Finding15 Dec 2025
- 2025Analyse comparative d'algorithmes de restauration en architecture d'epli'ee pour des signaux chromatographiques parcimonieux1 Oct 2025
- 2025Reevaluating Convolutional Neural Networks for Spectral Analysis: A Focus on Raman Spectroscopy30 Sep 2025
- 2025Using machine learning to map simulated noisy and laser-limited multidimensional spectra to molecular electronic couplings19 Mar 2025
- 2025An artificially intelligent magnetic resonance spectroscopy quantification method: Comparison between QNet and LCModel on the cloud computing platform CloudBrain-MRS6 Mar 2025
- 2024TVCondNet: A Conditional Denoising Neural Network for NMR Spectroscopy17 May 2024
- 2024Beyond traditional Magnetic Resonance processing with Artificial Intelligence13 May 2024
- 2024Materials science in the era of large language models: a perspective11 Mar 2024
- 2023GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks28 Nov 2023
- 2023Enhancing Peak Assignment in 13C NMR Spectroscopy: A Novel Approach Using Multimodal Alignment23 Nov 2023
12 newest of 17 All 17 (JSON)