Estimates of Water-Column Nutrient Concentrations and Carbonate System Parameters in the Global Ocean: A Novel Approach Based on Neural Networks

A neural network-based method (CANYON: CArbonate system and Nutrients concentration from hYdrological properties and Oxygen using a Neural-network) was developed to estimate water-column (i.e., from surface to 8,000 m depth) biogeochemically relevant variables in the Global Ocean. These are the concentrations of three nutrients [nitrate (NO3−), phosphate (PO43−), and silicate (Si(OH)4)] and four carbonate system parameters [total alkalinity (AT), dissolved inorganic carbon (CT), pH (pHT), and partial pressure of CO2 (pCO2)], which are estimated from concurrent in situ measurements of temperature, salinity, hydrostatic pressure, and oxygen (O2) together with sampling latitude, longitude, and date. Seven neural-networks were developed using the GLODAPv2 database, which is largely representative of the diversity of open-ocean conditions, hence making CANYON potentially applicable to most oceanic environments. For each variable, CANYON was trained using 80 % randomly chosen data from the whole database (after eight 10° × 10° zones removed providing an “independent data-set” for additional validation), the remaining 20 % data were used for the neural-network test of validation. Overall, CANYON retrieved the variables with high accuracies (RMSE): 1.04 μmol kg−1 (NO3−), 0.074 μmol kg−1 (PO43−), 3.2 μmol kg−1 (Si(OH)4), 0.020 (pHT), 9 μmol kg−1 (AT), 11 μmol kg−1 (CT) and 7.6 % (pCO2) (30 μatm at 400 μatm). This was confirmed for the eight independent zones not included in the training process. CANYON was also applied to the Hawaiian Time Series site to produce a 22 years long simulated time series for the above seven variables. Comparison of modeled and measured data was also very satisfactory (RMSE in the order of magnitude of RMSE from validation test). CANYON is thus a promising method to derive distributions of key biogeochemical variables. It could be used for a variety of global and regional applications ranging from data quality control to the production of datasets of variables required for initialization and validation of biogeochemical models that are difficult to obtain. In particular, combining the increased coverage of the global Biogeochemical-Argo program, where O2 is one of the core variables now very accurately measured, with the CANYON approach offers the fascinating perspective of obtaining large-scale estimates of key biogeochemical variables with unprecedented spatial and temporal resolutions. The Matlab and R codes of the proposed algorithms are provided as Supplementary Material

An Alternative to Static Climatologies: Robust Estimation of Open Ocean CO2 Variables and Nutrient Concentrations From T, S, and O2 Data Using Bayesian Neural Networks

This work presents two new methods to estimate oceanic alkalinity (AT), dissolved inorganic carbon (CT), pH, and pCO2 from temperature, salinity, oxygen, and geolocation data. “CANYON-B” is a Bayesian neural network mapping that accurately reproduces GLODAPv2 bottle data and the biogeochemical relations contained therein. “CONTENT” combines and refines the four carbonate system variables to be consistent with carbonate chemistry. Both methods come with a robust uncertainty estimate that incorporates information from the local conditions. They are validated against independent GO-SHIP bottle and sensor data, and compare favorably to other state-of-the-art mapping methods. As “dynamic climatologies” they show comparable performance to classical climatologies on large scales but a much better representation on smaller scales (40–120 d, 500–1,500 km) compared to in situ data. The limits of these mappings are explored with pCO2 estimation in surface waters, i.e., at the edge of the domain with high intrinsic variability. In highly productive areas, there is a tendency for pCO2 overestimation due to decoupling of the O2 and C cycles by air-sea gas exchange, but global surface pCO2 estimates are unbiased compared to a monthly climatology. CANYON-B and CONTENT are highly useful as transfer functions between components of the ocean observing system (GO-SHIP repeat hydrography, BGC-Argo, underway observations) and permit the synergistic use of these highly complementary systems, both in spatial/temporal coverage and number of observations. Through easily and robotically-accessible observations they allow densification of more difficult-to-observe variables (e.g., 15 times denser AT and CT compared to direct measurements). At the same time, they give access to the complete carbonate system. This potential is demonstrated by an observation-based global analysis of the Revelle buffer factor, which shows a significant, high latitude-intensified increase between +0.1 and +0.4 units per decade. This shows the utility that such transfer functions with realistic uncertainty estimates provide to ocean biogeochemistry and global climate change research. In addition, CANYON-B provides robust and accurate estimates of nitrate, phosphate, and silicate. Matlab and R code are available at https://github.com/HCBScienceProducts/. Introductio

An Alternative to Static Climatologies: Robust Estimation of Open Ocean CO2 Variables and Nutrient Concentrations From T, S, and O2 Data Using Bayesian Neural Networks

This work presents two new methods to estimate oceanic alkalinity (AT), dissolved inorganic carbon (CT), pH, and pCO2 from temperature, salinity, oxygen, and geolocation data. “CANYON-B” is a Bayesian neural network mapping that accurately reproduces GLODAPv2 bottle data and the biogeochemical relations contained therein. “CONTENT” combines and refines the four carbonate system variables to be consistent with carbonate chemistry. Both methods come with a robust uncertainty estimate that incorporates information from the local conditions. They are validated against independent GO-SHIP bottle and sensor data, and compare favorably to other state-of-the-art mapping methods. As “dynamic climatologies” they show comparable performance to classical climatologies on large scales but a much better representation on smaller scales (40–120 d, 500–1,500 km) compared to in situ data. The limits of these mappings are explored with pCO2 estimation in surface waters, i.e., at the edge of the domain with high intrinsic variability. In highly productive areas, there is a tendency for pCO2 overestimation due to decoupling of the O2 and C cycles by air-sea gas exchange, but global surface pCO2 estimates are unbiased compared to a monthly climatology. CANYON-B and CONTENT are highly useful as transfer functions between components of the ocean observing system (GO-SHIP repeat hydrography, BGC-Argo, underway observations) and permit the synergistic use of these highly complementary systems, both in spatial/temporal coverage and number of observations. Through easily and robotically-accessible observations they allow densification of more difficult-to-observe variables (e.g., 15 times denser AT and CT compared to direct measurements). At the same time, they give access to the complete carbonate system. This potential is demonstrated by an observation-based global analysis of the Revelle buffer factor, which shows a significant, high latitude-intensified increase between +0.1 and +0.4 units per decade. This shows the utility that such transfer functions with realistic uncertainty estimates provide to ocean biogeochemistry and global climate change research. In addition, CANYON-B provides robust and accurate estimates of nitrate, phosphate, and silicate. Matlab and R code are available at https://github.com/HCBScienceProducts/

Machine learning in marine ecology: an overview of techniques and applications

Machine learning covers a large set of algorithms that can be trained to identify patterns in data. Thanks to the increase in the amount of data and computing power available, it has become pervasive across scientific disciplines. We first highlight why machine learning is needed in marine ecology. Then we provide a quick primer on machine learning techniques and vocabulary. We built a database of ∼1000 publications that implement such techniques to analyse marine ecology data. For various data types (images, optical spectra, acoustics, omics, geolocations, biogeochemical profiles, and satellite imagery), we present a historical perspective on applications that proved influential, can serve as templates for new work, or represent the diversity of approaches. Then, we illustrate how machine learning can be used to better understand ecological systems, by combining various sources of marine data. Through this coverage of the literature, we demonstrate an increase in the proportion of marine ecology studies that use machine learning, the pervasiveness of images as a data source, the dominance of machine learning for classification-type problems, and a shift towards deep learning for all data types. This overview is meant to guide researchers who wish to apply machine learning methods to their marine datasets.Machine learning in marine ecology: an overview of techniques and applicationspublishedVersio

Machine learning in marine ecology: an overview of techniques and applications

Machine learning covers a large set of algorithms that can be trained to identify patterns in data. Thanks to the increase in the amount of data and computing power available, it has become pervasive across scientific disciplines. We first highlight why machine learning is needed in marine ecology. Then we provide a quick primer on machine learning techniques and vocabulary. We built a database of ∼1000 publications that implement such techniques to analyse marine ecology data. For various data types (images, optical spectra, acoustics, omics, geolocations, biogeochemical profiles, and satellite imagery), we present a historical perspective on applications that proved influential, can serve as templates for new work, or represent the diversity of approaches. Then, we illustrate how machine learning can be used to better understand ecological systems, by combining various sources of marine data. Through this coverage of the literature, we demonstrate an increase in the proportion of marine ecology studies that use machine learning, the pervasiveness of images as a data source, the dominance of machine learning for classification-type problems, and a shift towards deep learning for all data types. This overview is meant to guide researchers who wish to apply machine learning methods to their marine datasets

Novel learning-based methods to derive biogeochemical parameters from profiling floats

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A new global product of vertically-resolved particulate organic carbon

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New 3-dimensionl biogeochemical products derived from machine learning-based methods

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Global ocean product of profiles of nutrients and carbonate system variables within the framework of Copernicus Multi Observations Thematic Assembly Center (MOBTAC)

International audience<p>To better understand the global ocean biogeochemical processes, it is crucial to strengthen the spatial coverage of high-quality biogeochemical variables. In this context, we provide high-quality nutrients (nitrate, phosphate and silicate) and carbonate system variables (total alkalinity, dissolved inorganic carbon, pH and partial pressure of carbon dioxide) profiles for BGC-Argo floats equipped with oxygen sensors and data qualified in delayed mode. These variables are derived using neural network models called CANYON-B and CONTENT for nutrients and carbonate system variables, respectively. For the Mediterranean Sea, we deliver these variables from a regional dedicated model called CANYON-MED. These variables are distributed from September 2002 to August 2022 as part of CMEMS MOBTAC service. The last update of the product will be available in CMEMS portal from March 2023.</p> <p>At the global scale, nitrate, phosphate and silicate are retrieved with an accuracy (from the root mean squared difference) of 0.68, 0.051, 2.3 µmol kg<sup>-1</sup><sub>,</sub> respectively<sup> </sup>and the carbonate system variables, i.e., total alkalinity, dissolved inorganic carbon, pH and partial pressure of carbon dioxide are retrieved with an accuracy of 6.2 µmol kg<sup>-1</sup>, 6.9 µmol kg<sup>-1</sup>, 0.013 (unitless), and 15 µatm, respectively. The global models (CANYON-B and CONTENT) have also been validated with independent data collected from recent various oceanic cruises not used for the development of the methods (from GLODAPv2.2021 database) and the Hawaii Ocean Time series (HOT). These independent validations demonstrate the validity of these models for global ocean applications. The nitrate and pH products were again validated against measured nitrate and pH from BGC-Argo floats equipped with oxygen sensors. Overall validation results were quite satisfactory at global and regional spatial scales.</p> <p>Currently, the profiles are available for BGC-Argo floats with concurrent profiles of temperature, salinity and oxygen qualified in delayed mode. This product will be also available from near real-time observations from 2024.</p&gt

Vertically resolved light models for the global ocean based on machine learning techniques

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