Partial differential equations (PDEs) govern dynamical systems in hydrodynamics, where classical solvers face well-known difficulties with nonlinearity and computational cost. Lagrangian neural surrogates such as GNS and SEGNN learn directly from particle-based simulations, but local message passing alone is limited in...
Ethan Ji, Yuanzhou Chen, Arush Ramteke et al.· Proceedings of the 32nd ACM...· 1 citation· ⚡1
Pure Lagrangian neural simulators offer geometric flexibility and exact advection, making them well-suited for modeling moving domains and free surfaces. However, the absence of a fixed global reference frame introduces two severe limitations: a spatial bottleneck, in which model capacity is wasted on uniform regions b...
RetroAgent is introduced, an LLM agent that bridges symbolic search and neural reasoning through a harness with structured memory, enabling informed decisions grounded in both global progress and domain knowledge in multi-step retrosynthesis planning.
Yanqiao Zhu, Jingru Gan, Xiaoqi Sun et al.· arXiv.org· 1 citation
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