用客观方法划分北大西洋生物地球化学区,比传统分区更精细。
Unveiling 3D Ocean Biogeochemical Provinces in the North Atlantic: A Systematic Comparison and Validation of Clustering Methods
- 基于UMAP与DBSCAN的无监督聚类,自动识别海洋区域。
- 得到321个稳定簇,重复实验重合度达88.81%,误差仅15.49%。
- 结果可复现,适合海洋生态、气候研究者参考使用。
定义海洋区域有助于理解海洋过程,并支持海洋保护区划定等下游任务。但传统方法依赖主观判断,易导致不可复现的结果。本文在NEMI框架下,系统比较k-Means、凝聚层次聚类(Ward)和密度聚类(DBSCAN)等方法,以约3亿条盐度、温度及氧气、硝酸盐、磷酸盐、硅酸盐浓度数据为基础,通过UMAP降维并突出数据相似性。经内部、外部与相对验证,发现UMAP-DBSCAN最优。值得注意的是,内部验证指标在方法对比中表现不可靠。为应对随机性,进行100次聚类并按NEMI聚合,最终获得321个簇。重复性评估显示:集合重叠率88.81±1.8%,网格单元不确定性均值15.49±20%。对地中海、深海大西洋和拉布拉多海的案例分析与公认水团定义高度一致。该研究揭示的分区比长赫斯特分区更细致,方法具有客观性、高效性和可复现性,将助力未来海洋生物地球化学差异与变化研究。
原文摘要 · Abstract (English)
Defining ocean regions and water masses helps to understand marine processes and can serve downstream tasks such as defining marine protected areas. However, such definitions often result from subjective decisions potentially producing misleading, unreproducible outcomes. Here, the aim was to objectively define regions of the North Atlantic through systematic comparison of clustering methods within the Native Emergent Manifold Interrogation (NEMI) framework (Sonnewald, 2023). About 300 million measured salinity, temperature, and oxygen, nitrate, phosphate and silicate concentration values served as input for various clustering methods (k-Means, agglomerative Ward, and Density-Based Spatial Clustering of Applications with Noise (DBSCAN)). Uniform Manifold Approximation and Projection (UMAP) emphasised (dis-)similarities in the data while reducing dimensionality. Based on systematic validation of clustering methods and their hyperparameters using internal, external and relative validation techniques, results showed that UMAP-DBSCAN best represented the data. Strikingly, internal validation metrics proved systematically unreliable for comparing clustering methods. To address stochastic variability, 100 UMAP-DBSCAN clustering runs were conducted and aggregated following NEMI, yielding a final set of 321 clusters. Reproducibility was evaluated via ensemble overlap ($88.81\pm1.8\%$) and mean grid cell-wise uncertainty ($15.49\pm20\%$). Case studies of the Mediterranean Sea, deep Atlantic waters and Labrador Sea showed strong agreement with common water mass definitions. This study revealed a more detailed regionalisation compared to previous concepts such as the Longhurst provinces through systematic clustering method comparison. The applied method is objective, efficient and reproducible and will support future research on biogeochemical differences and changes in oceanic regions.
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