GradAgent: A Knowledge-Guided Multi-Agent System for Structure-Preserving Gradient-Flow Computation with an Application to Multicomponent Vesicle Dynamics

High-order differential operators and nonlinear coupling make it challenging to construct conservative and energy-stable schemes for coupled gradient-flow systems. We present GradAgent, a knowledge-guided multi-agent system that coordinates three agents across model analysis, algorithm design and proofs, and numerical implementation and validation. Independent audits strengthen reliability by uncovering mathematical errors and proof gaps, guiding revisions, and maintaining consistency across stages. In Reconstruction Mode, GradAgent reconstructs 20 published studies and organizes audited knowledge in an extensible knowledge graph (KG), GradAgent-KG, linking model structures, discretization strategies and proofs, implementations, and numerical evidence. In Design Mode, the agents assess the applicability of retrieved knowledge and develop new schemes informed by relevant discretization strategies. Applied to the fully coupled multicomponent vesicle phase-field-fluid model, GradAgent yields three first-order and three second-order schemes across three algorithmic families, including four linear, decoupled schemes. Under stated assumptions, all six schemes conserve membrane component mass and vesicle volume and dissipate their respective temporally discrete energies unconditionally. Comparisons with and without GradAgent-KG show that it promotes diversity in structure-preserving scheme design for this target model. Numerical tests confirm second-order spatial accuracy, the expected temporal orders, conservation, and temporally discrete energy dissipation, while three-dimensional shear-flow simulations agree qualitatively with experiments. These results demonstrate GradAgent's ability to combine reusable knowledge, coordinated reasoning, and independent auditing to develop and validate structure-preserving algorithms for complex coupled systems.

Source: arXiv:2609.24871v1 - http://arxiv.org/abs/2609.24871v1 PDF: https://arxiv.org/pdf/2609.24871v1 Original Link: http://arxiv.org/abs/2609.24871v1