ePattern: More Views Improve Composition-Free Crystal Retrieval from Sparse Electron Diffraction
Abstract
One sparse electron-diffraction (ED) pattern is often ambiguous. ePattern tests whether more supplied views improve composition-free crystal retrieval while the gallery, model, four-reference budget, and chemical information remain fixed. It combines a permutation-invariant Bragg-spot encoder, a view-pooled image encoder, and polar correlation. Among 861 StructureMatcher-disjoint CHILI-COD query materials whose abTEM grids vary along all three simulated rotation axes, Top-1 improves from 56.62% with one view to 83.19% with sixteen, a paired gain of 26.57 points [24.53, 28.67]. The frozen system likewise improves from 29.39% to 68.55% on an external 20,043-structure Materials Project evaluation that uses one common angle schedule, a gain of 39.16 points [35.84, 42.48]. The historical full CHILI-COD cohort, which also contains 335 rotation-about-beam controls, reaches 86.74% at K16. A validation-fixed stopping rule reaches 86.05% with 6.61 views on average on that full cohort.