Evidence map›Paper›PMID 41004582›Full record

ArticleScience advances2025

Scalable deep learning reconstruction for accelerated multidimensional nuclear magnetic resonance spectroscopy of proteins.

Yihui Huang, Yuncheng Gao, Zhangren Tu, Tatiana Agback, Vladislav Orekhov, Sven G Hyberts, Gerhard Wagner, Yanqin Lin, Zhong Chen, Di Guo and 1 more

Abstract read
In one paragraph

Article in Science advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

3 citing papers in PubMed.

  1. Applications and Advances of Liquid-StateMolecules (Basel, Switzerland) · 2026
    Review
  2. Deep Learning Assisted Proton Pure Shift NMR Spectroscopy.Journal of the American Chemical Society · 2026
    Article
  3. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

11 authors.

Yihui HuangDepartment of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen University-Neusoft Medical Magnetic Resonance Imaging Joint Research and Development Center, Xiamen, China.ORCID 0000-0002-5035-7687
Yuncheng GaoDepartment of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen University-Neusoft Medical Magnetic Resonance Imaging Joint Research and Development Center, Xiamen, China.ORCID 0009-0005-8549-1789
Zhangren TuDepartment of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen University-Neusoft Medical Magnetic Resonance Imaging Joint Research and Development Center, Xiamen, China.ORCID 0000-0002-0863-2454
Tatiana AgbackDepartment of Molecular Sciences, Swedish University of Agricultural Sciences, Uppsala, Sweden.ORCID 0000-0003-1325-6024
Vladislav OrekhovDepartment of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden.ORCID 0000-0002-7892-6896
Sven G HybertsDepartment of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, USA.ORCID 0000-0002-3169-4709
Gerhard WagnerDepartment of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, USA.ORCID 0000-0002-2063-4401
Yanqin LinDepartment of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen University-Neusoft Medical Magnetic Resonance Imaging Joint Research and Development Center, Xiamen, China.ORCID 0000-0003-0596-0740
Zhong ChenDepartment of Electronic Science, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, China.ORCID 0000-0002-1473-2224
Di GuoSchool of Computer and Information Engineering, Fujian Engineering Research Center for Medical Data Mining and Application, Xiamen University of Technology, Xiamen, China.ORCID 0000-0002-9910-5720
Xiaobo QuDepartment of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen University-Neusoft Medical Magnetic Resonance Imaging Joint Research and Development Center, Xiamen, China.ORCID 0000-0002-8675-5820

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

High-dimensional nuclear magnetic resonance (NMR) spectroscopy can assist in determining protein structure, but it requires time-consuming acquisition. Deep learning enables ultrafast reconstruction but is limited to spectra of up to three dimensions and cannot provide faithful reconstruction under unseen acceleration factors. Extending deep learning to handle higher-dimensional spectra and varying acceleration factors is desirable. However, scalability requires complex networks and more data, seriously hindering applications. To address this, we designed a network to learn data in one dimension (1D). First, time-domain signals were modeled as the outer product of 1D exponentials. Then, each 1D exponential was approximated with a rank-one Hankel matrix. Last, reconstruction error was corrected with a neural network. Here, we demonstrate robust 3D NMR reconstruction across acceleration factors (2 to 33) using one trained network. In addition, we find that reconstruction of 4D NMR is possible with artificial intelligence. This work opens an avenue for accelerating arbitrarily high-dimensional NMR.

Indexed as

Deep LearningNuclear Magnetic Resonance, BiomolecularProteinsAlgorithmsMagnetic Resonance SpectroscopyNeural Networks, ComputerProteins

Identifiers

PMID41004582
PMCPMC12466916

What Socratic holds

Textmetadata
LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.