让神经微分方程自动满足物理守恒律,避免仿真漂移
An Invariant Compiler for Neural ODEs in AI-Accelerated Scientific Simulation
- 将物理约束作为第一类类型,编译时直接构建保持不变量的网络结构
- 在连续时间下轨迹严格停留在允许流形上,数值积分误差可忽略
- 适用于需长期精确模拟的科学计算场景,如气候、流体建模
神经微分方程在科学与传感器数据的连续时间建模中日益普及,但无约束的神经微分方程可能产生漂移并违背领域不变量(如守恒律),导致物理上不合理的解。这会加剧长时预测和代理仿真中的误差累积。现有方法通常通过软惩罚或正则化强制不变量,但无法保证轨迹不离开约束流形。本文提出不变量编译器(invariant compiler),将不变量视为第一类类型,采用大模型驱动的编译流程,将通用神经微分方程规范转换为结构保持的架构,其轨迹在连续时间内始终位于可接受流形上(实践中仅受数值积分误差影响)。该框架清晰分离了必须保留的科学结构与从数据中学习的动力学,为跨科学领域的不变量尊重型神经代理模型提供系统性设计范式。
原文摘要 · Abstract (English)
Neural ODEs are increasingly used as continuous-time models for scientific and sensor data, but unconstrained neural ODEs can drift and violate domain invariants (e.g., conservation laws), yielding physically implausible solutions. In turn, this can compound error in long-horizon prediction and surrogate simulation. Existing solutions typically aim to enforce invariance by soft penalties or other forms of regularization, which can reduce overall error but do not guarantee that trajectories will not leave the constraint manifold. We introduce the invariant compiler, a framework that enforces invariants by construction: it treats invariants as first-class types and uses an LLM-driven compilation workflow to translate a generic neural ODE specification into a structure-preserving architecture whose trajectories remain on the admissible manifold in continuous time (and up to numerical integration error in practice). This compiler view cleanly separates what must be preserved (scientific structure) from what is learned from data (dynamics within that structure). It provides a systematic design pattern for invariant-respecting neural surrogates across scientific domains.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。