QFoldAgent: מערכת רב-סוכנים אוטונומית לאופטימיזציה קוונטית

תקציר מקורי באנגליתarXiv:2607.22549v1 Announce Type: new Abstract: Hybrid quantum-classical protein structure prediction depends strongly on Hamiltonian penalty weights, yet existing lattice-based workflows typically fix these coefficients by hand and evaluate only very short fragments in simulation. We present QFoldAgent, a closed-loop multi-agent framework for 5-residue tetrahedral-lattice folding in which a design agent proposes sequence-conditioned penalties, a VQE-based quantum-classical pipeline optimizes the resulting Hamiltonian under Qiskit Aer noise, and a feedback agent uses energy-landscape diagnostics and MolProbity validation signals to refine penalties across cycles. Ground-truth metrics such as RMSD are never exposed to the agents and are used only for evaluation. We study the framework on tw