Related papers: Interpretable Graph Neural Networks for Classifyin…

This paper presents a Physics-\textit{Explainable AI} (XAI) framework to validate and interpret neural networks for the constitutive modeling of solid materials. The study bridges the gap between data-driven models and continuum mechanics…

We present a deformable prototypical part network (Deformable ProtoPNet), an interpretable image classifier that integrates the power of deep learning and the interpretability of case-based reasoning. This model classifies input images by…

Brain decoding is a popular multivariate approach for hypothesis testing in neuroimaging. It is well known that the brain maps derived from weights of linear classifiers are hard to interpret because of high correlations between predictors,…

Graph neural networks have demonstrated remarkable success in predicting molecular properties by leveraging the rich structural information encoded in molecular graphs. However, their black-box nature reduces interpretability, which limits…

While concept-based interpretability methods have traditionally focused on local explanations of neural network predictions, we propose a novel framework and interactive tool that extends these methods into the domain of mechanistic…

This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials Project database, we construct graph representations of…

Gradual argumentation frameworks represent arguments and their relationships in a weighted graph. Their graphical structure and intuitive semantics makes them a potentially interesting tool for interpretable machine learning. It has been…

Explainable AI (XAI) underwent a recent surge in research on concept extraction, focusing on extracting human-interpretable concepts from Deep Neural Networks. An important challenge facing concept extraction approaches is the difficulty of…

It is difficult to quantify structure-property relationships and to identify structural features of complex materials. The characterization of amorphous materials is especially challenging because their lack of long-range order makes it…

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

The success of machine learning (ML) in materials property prediction depends heavily on how the materials are represented for learning. Two dominant families of material descriptors exist, one that encodes crystal structure in the…

Digital mammography is essential to breast cancer detection, and deep learning offers promising tools for faster and more accurate mammogram analysis. In radiology and other high-stakes environments, uninterpretable ("black box") deep…

The prediction of the atomistic structure and properties of crystals including defects based on ab-initio accurate simulations is essential for unraveling the nano-scale mechanisms that control the micromechanical and macroscopic behaviour…

Deformable image registration poses a challenging problem where, unlike most deep learning tasks, a complex relationship between multiple coordinate systems has to be considered. Although data-driven methods have shown promising…

Understanding the reasoning behind deep learning model predictions is crucial in cheminformatics and drug discovery, where molecular design determines their properties. However, current evaluation frameworks for Explainable AI (XAI) in this…

The analysis of DNA sequences has become critical in numerous fields, from evolutionary biology to understanding gene regulation and disease mechanisms. While deep neural networks can achieve remarkable predictive performance, they…

The histopathological analysis of whole-slide images (WSIs) is fundamental to cancer diagnosis but is a time-consuming and expert-driven process. While deep learning methods show promising results, dominant patch-based methods artificially…

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

Integrated Gradients (IG) is a common explainability technique to address the black-box problem of neural networks. Integrated gradients assumes continuous data. Graphs are discrete structures making IG ill-suited to graphs. In this work,…

Capsule Networks, as alternatives to Convolutional Neural Networks, have been proposed to recognize objects from images. The current literature demonstrates many advantages of CapsNets over CNNs. However, how to create explanations for…