ABSTRACT
We investigate the performance of uncertainty quantification methods, namely deep ensembles and bootstrap resampling, for deep neural network (DNN) predictions of transition metal K-edge X-ray absorption near-edge structure (XANES) spectra. Bootstrap resampling combined with our multi-layer perceptron (MLP) model provides an accurate assessment of uncertainty with >90% of all predicted spectral intensities falling within ±3σ of the true values for held-out data across the nine first-row transition metal K-edge XANES spectra.
ABSTRACT
Diabetic retinopathy is a complication of diabetes that produces changes in the blood vessel structure in the retina, which can cause severe vision problems and even blindness. In this paper, we demonstrate that by identifying topological features in very high resolution retinal images, we can construct a classifier that discriminates between healthy patients and those with diabetic retinopathy using summary statistics of these features. Topological data analysis identifies the features as connected components and holes in the images and describes the extent to which they persist across the image. These features are encoded in persistence diagrams, summaries of which can be used to discrimate between diabetic and healthy patients. The method has the potential to be an effective automated screening tool, with high sensitivity and specificity.
