用稀疏优化选关键点,让物理信息神经网络更准更快。
Diversity-Aware Adaptive Collocation for Physics-Informed Neural Networks via Sparse QUBO Optimization and Hybrid Coresets
- 将采样点选择建模为兼顾信息量与多样性的压缩集问题。
- 在固定点数下,精度提升且训练耗时减少,时间到精度效率更高。
- 适合追求高精度与低训练开销的科学计算研究者。
物理信息神经网络(PINNs)通过惩罚内部采样点上的偏微分方程残差来施加控制方程,但标准采样策略(如均匀采样和基于残差的自适应优化)会过度采样平滑区域,产生高度相关的点集,导致不必要的训练成本。本文将采样点选择重新建模为压缩集构建问题:从大量候选点中选取固定大小的子集,使其同时具备高信息量(对降低PDE误差有显著影响)和高多样性(在时空相似性下冗余低)。该问题被形式化为带有线性项(残差重要性)和二次项(抑制冗余)的QUBO/BQM目标。为避免密集k-hot QUBO的可扩展性问题,提出基于kNN相似图的稀疏图结构BQM及高效修复机制,确保精确的采样预算。进一步引入混合覆盖锚点以保证全局PDE满足。在带冲击形成的1维时变粘性Burgers方程上评估,结果表明稀疏与混合形式相比密集QUBO显著降低选择开销,同时在固定采样点数下保持或提升精度,并提供完整的时间开销分解。
原文摘要 · Abstract (English)
Physics-Informed Neural Networks (PINNs) enforce governing equations by penalizing PDE residuals at interior collocation points, but standard collocation strategies - uniform sampling and residual-based adaptive refinement - can oversample smooth regions, produce highly correlated point sets, and incur unnecessary training cost. We reinterpret collocation selection as a coreset construction problem: from a large candidate pool, select a fixed-size subset that is simultaneously informative (high expected impact on reducing PDE error) and diverse (low redundancy under a space-time similarity notion). We formulate this as a QUBO/BQM objective with linear terms encoding residual-based importance and quadratic terms discouraging redundant selections. To avoid the scalability issues of dense k-hot QUBOs, we propose a sparse graph-based BQM built on a kNN similarity graph and an efficient repair procedure that enforces an exact collocation budget. We further introduce hybrid coverage anchors to guarantee global PDE enforcement. We evaluate the method on the 1D time-dependent viscous Burgers equation with shock formation and report both accuracy and end-to-end time-to-accuracy, including a timing breakdown of selection overhead. Results demonstrate that sparse and hybrid formulations reduce selection overhead relative to dense QUBOs while matching or improving accuracy at fixed collocation budgets.
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