딥러닝 샘플 생성을 위한 포아즌-볼츠만 방정식의 대수적 멀티그리드를 사용한 수치 예측

초록

Poisson-Boltzmann equation (PBE) is used to model problems arising from various disciplinary including bio-pysics and colloid chemistry. Therefore, to predict a numerical solution of PBE is an important issue. The authors proposed deep learning based methods to solve PBE while the computational time to generate finite element method (FEM) solutions were bottlenecks of the algorithms. In this work, we shorten the generation time of FEM solutions in two directions. First, we experimentally find certain penalty parameter in a bilinear form. Second, we applied algebraic multigrids methods to the algebraic system so that condition number is bounded regardless of the meshsize. In conclusion, we have reduced computation times to solve algebraic systems for PBE. We expect that algebraic multigrids methods can be further employed in various disciplinary to generate deep learning samples.

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