Refined Topology-Pass Scheduling: Damped Trust-Region Compensation for Dynamic k-NN Graphs in SE(3)-Equivariant Structure Prediction
Equivariant structure-prediction pipelines alternate coordinate updates with the construction of a k-nearest-neighbour (kNN) graph whose membership is a discrete, piecewise-constant function of the coordinates. Rebuilding that graph at every block boundary (PB) is the expensive part of an epoch, whereas reusing one frozen graph (F) is fast but leaves a topology gap. We study a two-pass design in which the cheap pass records a small amount of state (margins, kNN radii, measured per-boundary displacements) and a second pass compensates conservatively. We formulate the choice of the graph-construction basis as a damped fixed-point iteration whose unique fixed point is exactly PB, and derive ...
| Authors | Jiankai Huang, Hanwen Shen |
|---|---|
| Primary category | cs.LG |
| Published | 13 October 2026 |
| Last updated at source | 13 October 2026 |
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