Faster ISNet for Background Bias Mitigation on Deep Neural Networks

Image background features can constitute background bias (spurious correlations) and impact deep classifiers decisions, causing shortcut learning (Clever Hans effect) and reducing the generalization skill on real-world data. The concept of optimizing Layer-wise Relevance Propagation (LRP) heatmaps, to improve classifier behavior, was recently introduced by a neural network architecture named ISNet. It minimizes background relevance in LRP maps, to mitigate the influence of image background features on deep classifiers decisions, hindering shortcut learning and improving generalization. For each training image, the original ISNet produces one heatmap per possible class in the classification task, hence, its training time scales linearly with the number of classes. Here, we introduce reformulated architectures that allow the training time to become independent from this number, rendering the optimization process much faster. We challenged the enhanced models utilizing the MNIST dataset with synthetic background bias, and COVID-19 detection in chest X-rays, an application that is prone to shortcut learning due to background bias. The trained models minimized background attention and hindered shortcut learning, while retaining high accuracy. Considering external (out-of-distribution) test datasets, they consistently proved more accurate than multiple state-of-the-art deep neural network architectures, including a dedicated image semantic segmenter followed by a classifier. The architectures presented here represent a potentially massive improvement in training speed over the original ISNet, thus introducing LRP optimization into a gamut of applications that could not be feasibly handled by the original model.

Distributed Kernel K-Means for Large Scale Clustering

Clustering samples according to an effective metric and/or vector space representation is a challenging unsupervised learning task with a wide spectrum of applications. Among several clustering algorithms, k-means and its kernelized version have still a wide audience because of their conceptual simplicity and efficacy. However, the systematic application of the kernelized version of k-means is hampered by its inherent square scaling in memory with the number of samples. In this contribution, we devise an approximate strategy to minimize the kernel k-means cost function in which the trade-off between accuracy and velocity is automatically ruled by the available system memory. Moreover, we define an ad-hoc parallelization scheme well suited for hybrid cpu-gpu state-of-the-art parallel architectures. We proved the effectiveness both of the approximation scheme and of the parallelization method on standard UCI datasets and on molecular dynamics (MD) data in the realm of computational chemistry. In this applicative domain, clustering can play a key role for both quantitively estimating kinetics rates via Markov State Models or to give qualitatively a human compatible summarization of the underlying chemical phenomenon under study. For these reasons, we selected it as a valuable real-world application scenario.