Title: General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies Show Chinese title

Title: 异质有限尺寸组件的通用逆向设计

Abstract: Designing heterogeneous, self-assembling systems is a central challenge in soft matter and biology. We present a framework that uses gradient-based optimization to invert an analytical yield calculation, tuning systems toward target equilibrium yields. We design systems ranging from simple dimers to temperature-controlled shells to polymerizing systems, achieving precise control of self- and non-self-limiting assemblies. By operating directly on closed-form calculations, our framework bypasses trajectory-based instabilities and enables efficient optimization in otherwise challenging regimes. Show Chinese abstract

Abstract: 设计异质自组装系统是软物质和生物学中的一个核心挑战。 我们提出了一种框架，该框架使用基于梯度的优化来反转解析产率计算，调整系统以达到目标平衡产率。 我们设计了从简单二聚体到温度控制的外壳再到聚合系统等各种系统，实现了对自限性和非自限性组装的精确控制。 通过直接对显式公式进行操作，我们的框架避开了基于轨迹的不稳定性，并在其他具有挑战性的区域中实现了高效的优化。