用专家混合架构提升大规模微分方程求解的预训练效果与推理效率
Mixture-of-Experts Operator Transformer for Large-Scale PDE Pre-Training
- 采用分层路由门控机制,动态激活4个专家网络应对不同方程类型
- 90M激活参数模型零样本误差降低40%,优于120M参数基线模型
- 可解释性分析验证路由决策能识别数据集类型,适合多任务方程求解
预训练在缓解神经算子求解微分方程时的数据稀缺与性能瓶颈方面已证明有效。然而,由于方程类型多样导致的数据异质性,混合训练仍存在高误差问题。此外,通过增加网络宽度或深度来扩展参数的密集型模型带来显著推理开销。为此,我们提出一种新型稀疏激活的专家混合预训练算子变换器(MoE-POT),实现高效参数扩展并控制推理成本。模型采用逐层路由门控网络,在推理时从16个专家中动态选择4个被激活专家,同时集成2个共享专家以捕捉方程共性、减少冗余。最终输出为所有激活专家结果的加权平均。我们在6个公开微分方程数据集上对30M至0.5B参数量的模型进行预训练。结果显示,仅90M激活参数的模型相较120M激活参数的现有模型,零样本误差降低最高达40%。此外,可解释性分析表明,路由门控决策可推断数据集类型,验证了该架构的合理性与有效性。
原文摘要 · Abstract (English)
Pre-training has proven effective in addressing data scarcity and performance limitations in solving PDE problems with neural operators. However, challenges remain due to the heterogeneity of PDE datasets in equation types, which leads to high errors in mixed training. Additionally, dense pre-training models that scale parameters by increasing network width or depth incur significant inference costs. To tackle these challenges, we propose a novel Mixture-of-Experts Pre-training Operator Transformer (MoE-POT), a sparse-activated architecture that scales parameters efficiently while controlling inference costs. Specifically, our model adopts a layer-wise router-gating network to dynamically select 4 routed experts from 16 expert networks during inference, enabling the model to focus on equation-specific features. Meanwhile, we also integrate 2 shared experts, aiming to capture common properties of PDE and reduce redundancy among routed experts. The final output is computed as the weighted average of the results from all activated experts. We pre-train models with parameters from 30M to 0.5B on 6 public PDE datasets. Our model with 90M activated parameters achieves up to a 40% reduction in zero-shot error compared with existing models with 120M activated parameters. Additionally, we conduct interpretability analysis, showing that dataset types can be inferred from router-gating network decisions, which validates the rationality and effectiveness of the MoE architecture.
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