arXiv:2607.19392cs.LG2026-07中稿 · ance

用图神经网络预测地下水砷浓度,提升风险区域识别精度。

Predicting Groundwater Arsenic Concentrations Using Graph Neural Networks

论文配图:Predicting Groundwater Arsenic Concentrations Using Graph Neural Networks
图 1 · 摘自论文原文
  • 构建包含7.4万条数据的地理集成数据集,融合多源水质与地质信息。
  • 图神经网络在空间依赖建模上优于传统梯度提升树,预测更精准。
  • 适合环境科学、公共健康与地理信息研究者关注地下水污染预警。

美国地下水砷污染长期威胁公共健康,尤其影响依赖私人井水的家庭。准确且具空间信息的砷浓度预测对识别高风险区和聚焦缓解措施至关重要。然而,现有模型难以泛化于区域间砷浓度连续变化的建模。本文将砷预测视为回归任务,整合来自水质门户(WQP)、矿产资源数据系统(MRDS)和网格化国家土壤调查地理数据库(gNATSGO)的超过7.4万条砷样本数据,利用k近邻(k-NN)与地理信息系统(GIS)技术按地理位置关联全美测量点。基于该数据集,评估了包括树基集成方法、多层感知机及空间感知图神经网络(GNN)在内的多种机器学习模型。结果显示,尽管梯度提升树在表格数据中仍为最优,但图神经网络能进一步捕捉空间依赖关系,表现可媲美或超越梯度提升树。证明基于图结构与空间信息的学习可显著增强环境预测能力,为改进地下水风险制图与监测提供基础。

原文摘要 · Abstract (English)

Arsenic contamination in groundwater presents a longstanding public health crisis in the United States, especially for households depending on private wells. Accurate and spatially informed prediction of arsenic concentration is vital to identify high-risk areas and focus mitigation efforts. However, there is a lack of generalizable models for representing continuous variation in arsenic concentrations across regions. In this work, we pose arsenic prediction as a regression task and construct a spatially integrated dataset to aggregate over 74,000 arsenic samples from the Water Quality Portal (WQP), Mineral Resources Data System (MRDS), and Gridded National Soil Survey Geographic Database (gNATSGO). Specifically, we use a variety of techniques including kNearest Neighbors (k-NN) and Geographic Information Systems (GIS) to join arsenic measurement points from across the United States by location. Building on this dataset, we evaluate a diverse suite of machine learning models, including tree-based ensemble approaches, multilayer perceptrons, and spatially aware graph neural networks (GNN). Our findings show that while gradient-boosted trees are still considered state-of-the-art in the field of tabular data, GNNs are able to further account for spatial dependence to match or outperform the results of gradient-boosted trees. These results demonstrate that graph-based and spatially informed learning can enhance environmental prediction and provide a foundation for improved groundwater risk mapping and monitoring.

环境预测图神经网络地下水污染

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