A Multicollinearity-Aware Signal-Processing Framework for Cross-$β$ Identification via X-ray Scattering of Alzheimer's Tissue

X-ray scattering measurements of in situ human brain tissue encode structural signatures of pathological cross-$β$ inclusions, yet systematic exploitation of these data for automated detection remains challenging due to substrate contamination, strong inter-feature correlations, and limited sample sizes. This work develops a three-stage classification framework for identifying cross-$β$ structural inclusions-a hallmark of Alzheimer's disease-in X-ray scattering profiles of post-mortem human brain. Stage 1 employs a Bayes-optimal classifier to separate mica substrate from tissue regions on the basis of their distinct scattering signatures. Stage 2 introduces a multicollinearityaware, class-conditional correlation pruning scheme with formal guarantees on the induced Bayes risk and approximation error, thereby reducing redundancy while retaining class-discriminative information. Stage 3 trains a compact neural network on the pruned feature set to detect the presence or absence of cross-$β$ fibrillar ordering. The top-performing model, optimized with a composite loss combining Focal and Dice objectives, attains a test F1-score of 84.30% using 11 of 211 candidate features and 174 trainable parameters. The overall framework yields an interpretable, theory-grounded strategy for data-limited classification problems involving correlated, high-dimensional experimental measurements, exemplified here by X-ray scattering profiles of neurodegenerative tissue.

A Molecular-MNIST Dataset for Machine Learning Study on Diffraction Imaging and Microscopy

An image dataset of 10 different size molecules, where each molecule has 2,000 structural variants, is generated from the 2D cross-sectional projection of Molecular Dynamics trajectories. The purpose of this dataset is to provide a benchmark dataset for the increasing need of machine learning, deep learning and image processing on the study of scattering, imaging and microscopy.