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Obtaining 2DES data requires a series of measurements that involve multiple pulses to construct the full picture\u2014a time-consuming task that often necessitates working with limited or noisy data. Here, we introduce a machine-learning based framework that aims to maximize the data that can be extracted from 2DES experiments and provides guidance toward the selection of additional experiments. We design a Gaussian mixture model to learn the underlying spectral density of a system, allowing the extraction of reorganization energies and the extrapolation of the 2DES spectra to other time delays beyond those measured, and demonstrate how our framework can be used to select additional measurements to further improve the accuracy. We show that our approach yields accurate results on a variety of systems, including simulations ranging from photoactive yellow protein in the gas phase to Nile Red in benzene to the anionic green fluorescent protein chromophore in water, and experiments on Nile Blue in ethanol. Our work provides an efficient route to extract maximum insights from 2DES while incurring minimal experimental costs.<\/jats:p>","DOI":"10.1063\/5.0348486","type":"journal-article","created":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T17:54:18Z","timestamp":1786989258000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["Streamlining analysis and design of two-dimensional electronic spectroscopy using machine learning"],"prefix":"10.1063","volume":"165","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-6175-5281","authenticated-orcid":false,"given":"Nicholas I.","family":"Hausman","sequence":"first","affiliation":[{"name":"Department of Chemistry, Stanford University 1 , Stanford, California 94305,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5336-4199","authenticated-orcid":false,"given":"Joseph","family":"Kelly","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Stanford University 1 , Stanford, California 94305,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0767-4238","authenticated-orcid":false,"given":"Michael S.","family":"Chen","sequence":"additional","affiliation":[{"name":"Simons Center for Computational Physical Chemistry, Department of Chemistry, New York University 2 , New York, New York 10003,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-4783-0947","authenticated-orcid":false,"given":"Frank","family":"Hu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Stanford University 1 , Stanford, California 94305,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5388-8400","authenticated-orcid":false,"given":"Angela","family":"Lee","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Massachusetts Institute of Technology 3 , Cambridge, Massachusetts 02139,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3037-3695","authenticated-orcid":false,"given":"Andr\u00e9s","family":"Montoya-Castillo","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Colorado Boulder 4 , Boulder, Colorado 80309,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7746-2981","authenticated-orcid":false,"given":"Gabriela S.","family":"Schlau-Cohen","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Massachusetts Institute of Technology 3 , Cambridge, Massachusetts 02139,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2747-0518","authenticated-orcid":false,"given":"Thomas E.","family":"Markland","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Stanford University 1 , Stanford, California 94305,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,8,17]]},"reference":[{"key":"2026081713541059500_c1","doi-asserted-by":"publisher","first-page":"8623","DOI":"10.1021\/acs.jpcb.5b04339","article-title":"Two-dimensional electronic spectroscopy of chlorophyll a: Solvent dependent spectral evolution","volume":"119","year":"2015","journal-title":"J.\u00a0Phys. 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