Articles | Volume 16, issue 6
https://doi.org/10.5194/cp-16-2599-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/cp-16-2599-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
OPTiMAL: a new machine learning approach for GDGT-based palaeothermometry
Tom Dunkley Jones
CORRESPONDING AUTHOR
School of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, B15 2TT, UK
Yvette L. Eley
School of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, B15 2TT, UK
William Thomson
School of Mathematics, University of Birmingham, Edgbaston, B15 2TT, UK
Sarah E. Greene
School of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, B15 2TT, UK
Ilya Mandel
School of Physics and Astronomy, Monash University, Clayton, Vic.
3800, Australia
The ARC Centre of Excellence for Gravitational Wave Discovery –
OzGrav, Hawthorn, Australia
Birmingham Institute for Gravitational Wave Astronomy, School of
Physics and Astronomy, University of Birmingham, B15 2TT, Birmingham, UK
Kirsty Edgar
School of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, B15 2TT, UK
James A. Bendle
School of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, B15 2TT, UK
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Cited
24 citations as recorded by crossref.
- Global calibration of novel 3-hydroxy fatty acid based temperature and pH proxies C. Wang et al. https://doi.org/10.1016/j.gca.2021.03.010
- FROG: A global machine-learning temperature calibration for branched GDGTs in soils and peats P. Véquaud et al. https://doi.org/10.1016/j.gca.2021.12.007
- New global lacustrine brGDGTs temperature calibrations based on machine learning Z. Zhu et al. https://doi.org/10.1016/j.quascirev.2025.109319
- 3-Hydroxy fatty acids as proxies for seawater temperature and pH in the eastern China marginal seas F. Pan et al. https://doi.org/10.1016/j.chemgeo.2022.121258
- Evaluation of bacterial membrane lipids (3-hydroxy fatty acids and branched GDGTs) as environmental proxies in lakes of the French Alps and southern Chile S. Ke et al. https://doi.org/10.1016/j.orggeochem.2026.105138
- Development of global temperature and pH calibrations based on bacterial 3-hydroxy fatty acids in soils P. Véquaud et al. https://doi.org/10.5194/bg-18-3937-2021
- Development and Application of the Branched and Isoprenoid GDGT Machine Learning Classification Algorithm (BIGMaC) for Paleoenvironmental Reconstruction P. Martínez‐Sosa et al. https://doi.org/10.1029/2023PA004611
- An evaluation of the EZ25 sea surface temperature proxy in surface sediments from the polar regions S. Belt et al. https://doi.org/10.1016/j.gloplacha.2026.105522
- Controls on the hydrogen isotope composition of tetraether lipids in an autotrophic ammonia-oxidizing marine archaeon W. Leavitt et al. https://doi.org/10.1016/j.gca.2023.04.033
- Reviews and syntheses: Best practices for the application of marine GDGTs as proxy for paleotemperatures: sampling, processing, analyses, interpretation, and archiving protocols P. Bijl et al. https://doi.org/10.5194/bg-22-6465-2025
- Multi-proxy evidence for sea level fall at the onset of the Eocene-Oligocene transition M. De Lira Mota et al. https://doi.org/10.1038/s41467-023-39806-6
- Amplified surface warming in the south-west Pacific during the mid-Pliocene (3.3–3.0 Ma) and future implications G. Grant et al. https://doi.org/10.5194/cp-19-1359-2023
- GaDGeT: An open-source R-workflow for fast and flexible GDGT index calculations T. Schneider & I. Castañeda https://doi.org/10.1016/j.softx.2025.102374
- Southern Ocean sea surface temperature synthesis: Part 1. Evaluation of temperature proxies at glacial-interglacial time scales D. Chandler & P. Langebroek https://doi.org/10.1016/j.quascirev.2021.107191
- Multi-proxy reconstructions of paleotemperature in the southern South China Sea since the last deglaciation L. Tian et al. https://doi.org/10.1016/j.gloplacha.2024.104620
- Archaeal lipids trace ecology and evolution of marine ammonia-oxidizing archaea R. Rattanasriampaipong et al. https://doi.org/10.1073/pnas.2123193119
- Diatom lipids open window to past ocean temperatures in the polar regions S. Belt et al. https://doi.org/10.1038/s43247-025-03177-1
- Distribution characteristics of terrestrial and marine lipid biomarkers in surface sediment and their implication for the provenance and palaeoceanographic application in the northern South China Sea E. Udoh et al. https://doi.org/10.1016/j.margeo.2022.106899
- Late Cenozoic sea-surface-temperature evolution of the South Atlantic Ocean F. Hoem et al. https://doi.org/10.5194/cp-19-1931-2023
- New isoprenoid GDGT index as a water mass and temperature proxy in the Southern Ocean H. Ishii et al. https://doi.org/10.5194/cp-22-585-2026
- Exploring the application of TEX86 and the sources of organic matter in the Antarctic coastal region A. Dauner et al. https://doi.org/10.1016/j.orggeochem.2021.104288
- Temperature-dependent spatial and temporal trends in archaeal lipid distributions S. Zhao et al. https://doi.org/10.1038/s43247-025-02450-7
- The first application of RI-OH lipid biomarkers to reconstruct the upper water column thermal structure. An example from the tropical Indian Ocean (Bay of Bengal) during the past 24 kyr Y. Wang et al. https://doi.org/10.1016/j.quascirev.2025.109659
- Building a high-resolution late Miocene benthic foraminiferal δ13C record from the Bay of Bengal with a non-destructive approach using machine learning V. Kumar et al. https://doi.org/10.1016/j.palaeo.2026.113877
24 citations as recorded by crossref.
- Global calibration of novel 3-hydroxy fatty acid based temperature and pH proxies C. Wang et al. https://doi.org/10.1016/j.gca.2021.03.010
- FROG: A global machine-learning temperature calibration for branched GDGTs in soils and peats P. Véquaud et al. https://doi.org/10.1016/j.gca.2021.12.007
- New global lacustrine brGDGTs temperature calibrations based on machine learning Z. Zhu et al. https://doi.org/10.1016/j.quascirev.2025.109319
- 3-Hydroxy fatty acids as proxies for seawater temperature and pH in the eastern China marginal seas F. Pan et al. https://doi.org/10.1016/j.chemgeo.2022.121258
- Evaluation of bacterial membrane lipids (3-hydroxy fatty acids and branched GDGTs) as environmental proxies in lakes of the French Alps and southern Chile S. Ke et al. https://doi.org/10.1016/j.orggeochem.2026.105138
- Development of global temperature and pH calibrations based on bacterial 3-hydroxy fatty acids in soils P. Véquaud et al. https://doi.org/10.5194/bg-18-3937-2021
- Development and Application of the Branched and Isoprenoid GDGT Machine Learning Classification Algorithm (BIGMaC) for Paleoenvironmental Reconstruction P. Martínez‐Sosa et al. https://doi.org/10.1029/2023PA004611
- An evaluation of the EZ25 sea surface temperature proxy in surface sediments from the polar regions S. Belt et al. https://doi.org/10.1016/j.gloplacha.2026.105522
- Controls on the hydrogen isotope composition of tetraether lipids in an autotrophic ammonia-oxidizing marine archaeon W. Leavitt et al. https://doi.org/10.1016/j.gca.2023.04.033
- Reviews and syntheses: Best practices for the application of marine GDGTs as proxy for paleotemperatures: sampling, processing, analyses, interpretation, and archiving protocols P. Bijl et al. https://doi.org/10.5194/bg-22-6465-2025
- Multi-proxy evidence for sea level fall at the onset of the Eocene-Oligocene transition M. De Lira Mota et al. https://doi.org/10.1038/s41467-023-39806-6
- Amplified surface warming in the south-west Pacific during the mid-Pliocene (3.3–3.0 Ma) and future implications G. Grant et al. https://doi.org/10.5194/cp-19-1359-2023
- GaDGeT: An open-source R-workflow for fast and flexible GDGT index calculations T. Schneider & I. Castañeda https://doi.org/10.1016/j.softx.2025.102374
- Southern Ocean sea surface temperature synthesis: Part 1. Evaluation of temperature proxies at glacial-interglacial time scales D. Chandler & P. Langebroek https://doi.org/10.1016/j.quascirev.2021.107191
- Multi-proxy reconstructions of paleotemperature in the southern South China Sea since the last deglaciation L. Tian et al. https://doi.org/10.1016/j.gloplacha.2024.104620
- Archaeal lipids trace ecology and evolution of marine ammonia-oxidizing archaea R. Rattanasriampaipong et al. https://doi.org/10.1073/pnas.2123193119
- Diatom lipids open window to past ocean temperatures in the polar regions S. Belt et al. https://doi.org/10.1038/s43247-025-03177-1
- Distribution characteristics of terrestrial and marine lipid biomarkers in surface sediment and their implication for the provenance and palaeoceanographic application in the northern South China Sea E. Udoh et al. https://doi.org/10.1016/j.margeo.2022.106899
- Late Cenozoic sea-surface-temperature evolution of the South Atlantic Ocean F. Hoem et al. https://doi.org/10.5194/cp-19-1931-2023
- New isoprenoid GDGT index as a water mass and temperature proxy in the Southern Ocean H. Ishii et al. https://doi.org/10.5194/cp-22-585-2026
- Exploring the application of TEX86 and the sources of organic matter in the Antarctic coastal region A. Dauner et al. https://doi.org/10.1016/j.orggeochem.2021.104288
- Temperature-dependent spatial and temporal trends in archaeal lipid distributions S. Zhao et al. https://doi.org/10.1038/s43247-025-02450-7
- The first application of RI-OH lipid biomarkers to reconstruct the upper water column thermal structure. An example from the tropical Indian Ocean (Bay of Bengal) during the past 24 kyr Y. Wang et al. https://doi.org/10.1016/j.quascirev.2025.109659
- Building a high-resolution late Miocene benthic foraminiferal δ13C record from the Bay of Bengal with a non-destructive approach using machine learning V. Kumar et al. https://doi.org/10.1016/j.palaeo.2026.113877
Saved (final revised paper)
Latest update: 28 May 2026
Short summary
We explore the utiliity of the composition of fossil lipid biomarkers, which are commonly preserved in ancient marine sediments, in providing estimates of past ocean temperatures. The group of lipids concerned show compositional changes across the modern oceans that are correlated, to some extent, with local surface ocean temperatures. Here we present new machine learning approaches to improve our understanding of this temperature sensitivity and its application to reconstructing past climates.
We explore the utiliity of the composition of fossil lipid biomarkers, which are commonly...