Computation of Two-Dimensional Spectra Assisted by Compressed Sampling
Abstract
The computation of scientific data can be very time-consuming, even if they are ultimately determined by a small number of parameters. The principle of compressed sampling suggests that for typical data we can achieve a considerable decrease in the computation time by avoiding the need to sample the full data set. We demonstrate the usefulness of this approach at the hand of two-dimensional (2-D) spectra in the context of ultrafast nonlinear spectroscopy of biological systems where numerical calculations are highly challenging due to the considerable computational effort involved in obtaining individual data points.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
Non-equilibrium exchanges between system and environment may lead to generation of long-lived quantum coherence in the system.
“This and other non-equilibrium exchanges between system and environment can have considerable influence on the system dynamics [28-35], influence the direction of energy transfer [28] and may even lead to the generation of long-lived quantum coherence in the system [28, 36-38].”
From Vibrations, quanta and biology (2013) · cites this paper as [37]
Inclusion of significant coupling of electronic motion to long-lived vibrational modes is capable of explaining the long-lived coherences observed in ultrafast 2-D spectroscopy on photosynthetic complexes.
“In the following we will show that the inclusion of significant coupling of electronic motion to long-lived vibrational modes [28, 34] are capable of explaining the observations [36, 37]”
From Vibrations, quanta and biology (2013) · cites this paper as [37]
Electronic coherence may emerge from transiently exciting robust, weakly dephasing vibrational coherences which then transfer back coherence to those exciton transitions that are well matched to the mode.
“The physical picture presented here illustrates a key point: electronic coherence may emerge from transiently exciting robust, weakly dephasing vibrational coherences which then transfer back coherence to those exciton transitions that are well matched to the mode [28, 36, 37].”
From Vibrations, quanta and biology (2013) · cites this paper as [37]
Cites
Boyd, S., & Vandenberghe, L. (2004) · doi:10.1017/cbo9780511804441 · Cited by 56,601 · see citing works
Donoho, D. L. (2006) · IEEE Transactions on Information Theory · doi:10.1109/tit.2006.871582 · Cited by 23,994 · see citing works
Candes, E. J., Romberg, J., & Tao, T. (2006) · IEEE Transactions on Information Theory · doi:10.1109/tit.2005.862083 · Cited by 15,639 · see citing works
An Introduction To Compressive Sampling
Candes, E. J., & Wakin, M. B. (2008) · IEEE Signal Processing Magazine · doi:10.1109/msp.2007.914731 · Cited by 10,017 · see citing works
Near-Optimal Signal Recovery From Random Projections: Universal Encoding Strategies?
Candès, E. J., & Tao, T. (2006) · IEEE Transactions on Information Theory · doi:10.1109/tit.2006.885507 · Cited by 6,973 · see citing works
A Singular Value Thresholding Algorithm for Matrix Completion
Jian-feng Cai, A., Candès, E. J., & Shen, Z. (2010) · SIAM Journal on Optimization · doi:10.1137/080738970 · Cited by 5,778 · see citing works
Exact Matrix Completion via Convex Optimization
Candès, E. J., & Recht, B. (2009) · Foundations of Computational Mathematics · doi:10.1007/s10208-009-9045-5 · Cited by 5,102 · see citing works
Principles of Nonlinear Optical Spectroscopy
Mukamel, S. (1995) · Cited by 4,566 · see citing works
Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
Engel, G. S., Calhoun, T. R., Read, E. L., Ahn, T.-K., Mančal, T., Cheng, Y.-C., Blankenship, R. E., & Fleming, G. R. (2007) · Nature · doi:10.1038/nature05678 · Cited by 3,315 · see citing works
Candès, E. J., & Plan, Y. (2010) · Proceedings of the IEEE · doi:10.1109/jproc.2009.2035722 · Cited by 1,746 · see citing works
NESTA: A Fast and Accurate First-Order Method for Sparse Recovery
Becker, S., Bobin, J., & Candès, E. J. (2011) · SIAM Journal on Imaging Sciences · doi:10.1137/090756855 · Cited by 1,106 · see citing works
Long-lived quantum coherence in photosynthetic complexes at physiological temperature
Panitchayangkoon, G., Hayes, D., Fransted, K. A., Caram, J. R., Harel, E., Wen, J., Blankenship, R. E., & Engel, G. S. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1005484107 · Cited by 1,072 · see citing works
Fixed point and Bregman iterative methods for matrix rank minimization
Ma, S., Goldfarb, D., & Chen, L. (2009) · Mathematical Programming · doi:10.1007/s10107-009-0306-5 · Cited by 1,051 · see citing works
NESTA: A Fast and Accurate First-Order Method for Sparse Recovery
Becker, S., Bobin, J., & Candès, E. J. (2009) · Cited by 897 · see citing works
Efficient quantum state tomography
Cramer, M., Plenio, M. B., Flammia, S. T., Somma, R. D., Gross, D., Bartlett, S. D., Landon-Cardinal, O., Poulin, D., & Liu, Y.-K. (2010) · Nature Communications · doi:10.1038/ncomms1147 · Cited by 677 · see citing works
Self-citationRecovering Low-Rank Matrices From Few Coefficients in Any Basis
Gross, D. (2011) · IEEE Transactions on Information Theory · doi:10.1109/tit.2011.2104999 · Cited by 601 · see citing works
Recovering low-rank matrices from few coefficients in any basisPreprint
Gross, D. (2010) · Cited by 527 · see citing works
Efficient Simulation of Strong System-Environment Interactions
Prior, J., Chin, A. W., Huelga, S. F., & Plenio, M. B. (2010) · Physical Review Letters · doi:10.1103/physrevlett.105.050404 · Cited by 480 · see citing works
Self-citationAtomically flat single-crystalline gold nanostructures for plasmonic nanocircuitry
Huang, J., Callegari, V., Geisler, P., Brüning, C., Kern, J., Prangsma, J. C., Wu, X., Feichtner, T., Ziegler, J. F., Weinmann, P., et al. (2010) · Nature Communications · doi:10.1038/ncomms1143 · Cited by 446 · see citing works
Two-Dimensional Optical Spectroscopy
Cho, M. (2009) · CRC Press eBooks · doi:10.1201/9781420084306 · Cited by 363 · see citing works
Tronrud, D. E., Wen, J., Gay, L. S., & Blankenship, R. E. (2009) · Photosynthesis Research · doi:10.1007/s11120-009-9430-6 · Cited by 308 · see citing works
Long-Lived Electronic Coherence in Dissipative Exciton Dynamics of Light-Harvesting Complexes
Kreisbeck, C., & Kramer, T. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz3012029 · Cited by 230 · see citing works
Long-Lived Electronic Coherence in Dissipative Exciton Dynamics of Light-Harvesting Complexes
Kreisbeck, C., & Kramer, T. (2012) · University of Regensburg Publication Server (University of Regensburg) · Cited by 210 · see citing works
Modelling of oscillations in two-dimensional echo-spectra of the Fenna–Matthews–Olson complex
Hein, B., Kreisbeck, C., Kramer, T., & Rodríguez, M. (2012) · New Journal of Physics · doi:10.1088/1367-2630/14/2/023018 · Cited by 120 · see citing works
Modelling of oscillations in two-dimensional echo-spectra of the Fenna–Matthews–Olson complex
Hein, B., Kreisbeck, C., Kramer, T., & Rodrı́guez, M. (2012) · University of Regensburg Publication Server (University of Regensburg) · Cited by 107 · see citing works
Compressed Sensing for Multidimensional Spectroscopy Experiments
Sanders, J. N., Saikin, S. K., Mostame, S., Andrade, X., Widom, J. R., Marcus, A. H., & Aspuru-Guzik, A. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz300988p · Cited by 83 · see citing works
Dynamics of electronic dephasing in the Fenna–Matthews–Olson complex
Hayes, D., Panitchayangkoon, G., Fransted, K. A., Caram, J. R., Wen, J., Freed, K. F., & Engel, G. S. (2010) · New Journal of Physics · doi:10.1088/1367-2630/12/6/065042 · Cited by 55 · see citing works
Application of compressed sensing to the simulation of atomic systems
Andrade, X., Sanders, J. N., & Aspuru‐Guzik, A. (2012) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1209890109 · Cited by 54 · see citing works
The nature of the low energy band of the Fenna-Matthews-Olson complex: Vibronic signatures
Caycedo-Soler, F., Chin, A. W., Almeida, J., Huelga, S. F., & Plenio, M. B. (2012) · The Journal of Chemical Physics · doi:10.1063/1.3703504 · Cited by 46 · see citing works
Self-citationProbing biological light-harvesting phenomena by optical cavities
Caruso, F., Saikin, S. K., Solano, E., Huelga, S. F., Aspuru-Guzik, A., & Plenio, M. B. (2012) · Physical Review B · doi:10.1103/physrevb.85.125424 · Cited by 34 · see citing works
Self-citation
Flagged first, then by citations
Cited by
Sorted by citations
Vibrations, quanta and biology
Huelga, S. F., & Plenio, M. B. (2013) · Contemporary Physics · doi:10.1080/00405000.2013.829687 · Cited by 568 · see citing works
Self-citationNuclear magnetic resonance spectroscopy with single spin sensitivity
Müller, C., Kong, X., Cai, J., Melentijević, K., Stacey, A. D., Markham, M., Twitchen, D. J., Isoya, J., Pezzagna, S., Meijer, J., et al. (2014) · Nature Communications · doi:10.1038/ncomms5703 · Cited by 251 · see citing works
Self-citationCompressed Sensing for Multidimensional Spectroscopy Experiments
Sanders, J. N., Saikin, S. K., Mostame, S., Andrade, X., Widom, J. R., Marcus, A. H., & Aspuru-Guzik, A. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz300988p · Cited by 83 · see citing works
Global analysis of coherence and population dynamics in 2D electronic spectroscopy
Volpato, A., Bolzonello, L., Meneghin, E., & Collini, E. (2016) · Optics Express · doi:10.1364/oe.24.024773 · Cited by 80 · see citing works
Resolving single molecule structures with Nitrogen-vacancy centers in diamond
Kost, M., Cai, J., & Plenio, M. B. (2015) · Scientific Reports · doi:10.1038/srep11007 · Cited by 45 · see citing works
Self-citationTollerud, J. O., & Davis, J. A. (2017) · Progress in Quantum Electronics · doi:10.1016/j.pquantelec.2017.07.001 · Cited by 40 · see citing works
Accelerated 2D-IR Using Compressed Sensing
Dunbar, J. A., Osborne, D. G., Anna, J. M., & Kubarych, K. J. (2013) · The Journal of Physical Chemistry Letters · doi:10.1021/jz401281r · Cited by 40 · see citing works
Prior, J., Castro, E., Chin, A. W., Almeida, J., Huelga, S. F., & Plenio, M. B. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4837718 · Cited by 24 · see citing works
Self-citationOptimizing sparse sampling for 2D electronic spectroscopy
Roeding, S., Klimovich, N. S., & Brixner, T. (2017) · The Journal of Chemical Physics · doi:10.1063/1.4976309 · Cited by 20 · see citing works
Two-Dimensional Spectroscopy for the Study of Ion Coulomb Crystals
Lemmer, A., Cormick, C., Schmiegelow, C. T., Schmidt‐Kaler, F., & Plenio, M. B. (2015) · Physical Review Letters · doi:10.1103/physrevlett.114.073001 · Cited by 15 · see citing works
Self-citationCompressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations
Sanders, J. N., Andrade, X., & Aspuru‐Guzik, A. (2015) · ACS Central Science · doi:10.1021/oc5000404 · Cited by 12 · see citing works
Dynamical sensitivity control of a single-spin quantum sensor
Lazariev, A., Arroyo-Camejo, S., Rahane, G. K., Kavatamane, V. K., & Balasubramanian, G. (2017) · Scientific Reports · doi:10.1038/s41598-017-05387-w · Cited by 9 · see citing works
Two-dimensional spectroscopy of Rydberg gases
Mukherjee, K., Goswami, H. P., Whitlock, S., Wüster, S., & Eisfeld, A. (2020) · New Journal of Physics · doi:10.1088/1367-2630/ab9984 · Cited by 8 · see citing works
Accelerated 2D magnetic resonance spectroscopy of single spins using matrix completion
Scheuer, J., Stark, A., Kost, M., Plenio, M. B., Naydenov, B., & Jelezko, F. (2015) · Scientific Reports · doi:10.1038/srep17728 · Cited by 8 · see citing works
Self-citationAccelerating two-dimensional infrared spectroscopy while preserving lineshapes using GIRAF
Bhattacharya, I., Humston, J. J., Cheatum, C. M., & Jacob, M. (2017) · Optics Letters · doi:10.1364/ol.42.004573 · Cited by 8 · see citing works
Rai, P., Sargsyan, K., Najm, H. N., & Hirata, S. (2019) · Journal of Mathematical Chemistry · doi:10.1007/s10910-019-01034-z · Cited by 8 · see citing works
Frostig, H., Bayer, T., Eldar, Y. C., & Silberberg, Y. R. (2017) · Light Science & Applications · doi:10.1038/lsa.2017.115 · Cited by 6 · see citing works
Introduction to State-of-the-Art Multidimensional Time-Resolved Spectroscopy Methods
Kraack, J. P., & Buckup, T. (2018) · Topics in Current Chemistry · doi:10.1007/s41061-018-0206-3 · Cited by 6 · see citing works
Optimized reconstructions of compressively sampled two-dimensional infrared spectra
Humston, J. J., Bhattacharya, I., Jacob, M., & Cheatum, C. M. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5097946 · Cited by 6 · see citing works
Accelerating two-dimensional electronic spectroscopy simulations with a probe qubit protocol
Guimarães, J. D., Lim, J., Vasilevskiy, M. I., Huelga, S. F., & Plenio, M. B. (2025) · Physical Review Research · doi:10.1103/physrevresearch.7.023130 · Cited by 5 · see citing works
Self-citationThe Development of Coherent Multidimensional Microspectroscopy
Tibbetts, C. A., Luther, B. M., & Krummel, A. T. (2019) · Springer series in optical sciences/SPringer series in optical sciences · doi:10.1007/978-981-13-9753-0_14 · Cited by 1 · see citing works
Compressed Sensing for Chemistry
Sanders, J. N. (2016) · Digital Access to Scholarship at Harvard (DASH) (Harvard University) · Cited by 1 · see citing works
A sparse-sampling approach for the fast computation of matrices: application to molecular vibrationsPreprint
Sanders, J. N., Andrade, X., & Aspuru‐Guzik, A. (2014) · arXiv (Cornell University) · doi:10.48550/arxiv.1410.4848
Noise reduction in spectroscopic detection with compressed sensing
Sun, J., Zhang, D., Cheng, Z., Xu, D., & Dong, H. Y. (2025) · Review of Scientific Instruments · doi:10.1063/5.0288215
- Authors
- Almeida, J., Prior, J., & Plenio, M. B.
- Affiliations
- Universität Ulm (DE)
- Universidad Politécnica de Cartagena (ES)
- Corresponding author
- Plenio, M. B.
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-09-11
- Volume
- 3
- Issue
- 18
- Pages
- 2692-2696
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W2315795463
- Cited by
- 24
- References
- 30
- Citations by year
- 2025: 2 · 2020: 1 · 2019: 3 · 2018: 1 · 2017: 5 · 2016: 2 · 2015: 4 · 2014: 2 · 2013: 3 · 2012: 1
- FWCI
- 3.17
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- The Journal of Physical Chemistry Letters (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Physical Sciences › Engineering › Computational Mechanics › Sparse and Compressive Sensing Techniques
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Laser-Matter Interactions and Applications
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
- Keywords
- compressed sensing, two-dimensional spectra, computational efficiency, spectral data reduction, biological systems
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review