Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex geometries, varying boundary/initial conditions, and diverse physical parameters. While deep learning offers promising alternatives, existing methods often struggle with flexibility and generalization, particularly on unstructured meshes, which significantly limits their practical applicability. To address these challenges, we propose PhysGTO, an efficient Graph-Transformer Operator for learning physical dynamics through explicit manifold embeddings in both physical and latent spaces. In the physical space, the proposed Unified Graph Embedding module aligns node-level conditions and constructs sparse yet structure-preserving graph connectivity to process heterogeneous inputs. In the latent space, PhysGTO integrates a lightweight flux-oriented message-passing scheme with projection-inspired attention to capture local and global dependencies, facilitating multilevel interactions among complex physical correlations. This design ensures linear complexity relative to the number of mesh points, reducing both the number of trainable parameters and computational costs in terms of floating-point operations (FLOPs), and thereby allowing efficient inference in real-time applications. We introduce a comprehensive benchmark spanning eleven datasets, covering problems with unstructured meshes, transient flow dynamics, and large-scale 3D geometries. PhysGTO consistently achieves state-of-the-art accuracy while significantly reducing computational costs, demonstrating superior flexibility, scalability, and generalization in a wide range of simulation tasks.
翻译:精确高效的物理模拟在科学与工程中至关重要,然而传统数值求解器在处理涉及复杂几何结构、变化边界/初始条件及多样化物理参数的动态场景模拟时,面临计算成本上的重大挑战。尽管深度学习提供了有前景的替代方案,但现有方法通常在灵活性与泛化能力上存在不足,尤其是在非结构化网格上,这严重限制了其实际应用。为应对这些挑战,我们提出PhysGTO——一种通过物理空间与隐空间中的显式流形嵌入来学习物理动力学的高效图-Transformer算子。在物理空间中,所提出的统一图嵌入模块对齐节点级条件,并构建稀疏但保持结构的图连接以处理异构输入。在隐空间中,PhysGTO将轻量化的通量导向消息传递方案与受投影启发的注意力机制相结合,以捕捉局部与全局依赖关系,促进复杂物理关联间的多层次交互。该设计确保了相对于网格点数量的线性复杂度,减少了可训练参数数量与浮点运算(FLOPs)计算成本,从而支持实时应用中的高效推理。我们引入了一个涵盖十一个数据集的综合基准测试,覆盖非结构化网格、瞬态流动动力学及大规模三维几何问题。PhysGTO在广泛模拟任务中持续取得最先进的精度,同时显著降低计算成本,展现出卓越的灵活性、可扩展性与泛化能力。