融合交叉注意力与时间感知GAN地浸采铀溶质运移数值模拟替代模型

Multi-Scale Cross-attention and Time-aware GAN Surrogate for Solute Transport Simulation in in-situ Uranium Leaching

  • 摘要: 针对地浸采铀反应溶质运移数值模型(RTM)计算耗时长,难以满足长时程、多场景模拟等计算密集型任务需求的问题,近年来已有研究提出基于图像回归的替代模型,以降低计算开销。然而当替代模型的时间表征能力不足,且缺少跨时刻一致性约束时,未参与监督的时间点上可能出现泛化精度波动。为此,本文提出一种融合多尺度交叉注意力与时间感知机制的生成对抗网络(MCFT-GAN)替代模型。以内蒙古某砂岩型铀矿井场工况为原型建立铀溶质运移RTM,并开展650 d数值模拟,构建覆盖全周期动态过程的时空数据集,用于模型训练与测试。结果显示,MCFT-GAN在测试集上取得了较高预测精度,且在插值时间点上保持与训练时间点接近的精度水平;在序列分布一致性方面,其弗雷歇视频距离(FVD)为39.224,低于对照模型cDC-GAN(FVD为56.847),表明生成序列与RTM参考序列的分布更一致。在计算效率方面,单场景14个时间点的推理耗时约为0.093 s,与RTM(约17 min)相比,获得了约1.1×104倍加速。上述结果表明,该替代模型可为复杂反应溶质运移问题提供低计算代价的序列级快速模拟支撑,有效满足计算密集型任务需求。

     

    Abstract: Reactive transport models (RTMs) are widely used to simulate coupled flow-transport-reaction processes in in-situ uranium leaching (ISL). However, high-resolution discretization, strong medium heterogeneity, and long simulation horizons often render RTMs computationally expensive, which limits their applicability in computation-intensive tasks such as long-term forecasting, large-scale scenario screening, and uncertainty quantification. In recent years, image-regression-based surrogate models were explored to reduce computational cost. Nevertheless, when temporal representation is weak and explicit cross-time consistency constraints are absent, surrogates may exhibit noticeable accuracy fluctuations at time points not involved in supervision, especially for interpolation time within a long simulation horizon. To address these limitations, MCFT-GAN, a generative adversarial network (GAN) surrogate was proposed, which integrates multi-scale cross-attention with a time-aware conditioning mechanism for sequence-level prediction of reactive solute transport in ISL. This framework was engineered to achieve two core objectives: First, it boosts multi-scale spatial feature fusion through cross-attention, enabling the simultaneous capture of local details and global plume structures; Second, it enhances temporal generalization performance by explicitly embedding temporal information into the network architecture and imposing regularization constraints on predictive outputs across discrete time stamps. Specifically, MCFT-GAN incorporates time-aware conditioning to guide the generation process at specified time stages and introduces a cross-time consistency strategy to stabilize temporal evolution and mitigate performance degradation at unseen time points. A site-scale RTM for uranium reactive transport was established based on operating conditions from a sandstone-hosted uranium deposit in Inner Mongolia. Using this RTM, a 650 d numerical simulation campaign was conducted and a spatiotemporal dataset was constructed to capture the full-cycle dynamic evolution of concentration fields. The dataset was used for training and testing the surrogate, with particular attention to evaluate performance at interpolation time points that were excluded from direct supervision. Experimental results demonstrate that MCFT-GAN achieves high predictive accuracy on the test set and maintains accuracy levels at interpolation time points comparable to those at supervised training time points, indicating improved temporal generalization. At the sequence-distribution level, MCFT-GAN attains a Fréchet video distance (FVD) of 39.224, outperforming the baseline conditional deep convolutional GAN (cDC-GAN, FVD=56.847), which suggests a closer match between generated sequences and RTM reference sequences in the spatiotemporal feature space. In terms of computational efficiency, MCFT-GAN requires approximately 0.093 s to infer concentration fields at 14 time points for a single scenario, yielding an acceleration of about 1.1×104 relative to the RTM runtime (about 17 min). These results indicate that MCFT-GAN provides a low-cost, sequence-level surrogate capable of supporting computation-intensive RTM applications for complex reactive solute transport problems.

     

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