Related papers: MEG: Generating Molecular Counterfactual Explanati…

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Decision explanations of machine learning black-box models are often generated by applying Explainable AI (XAI) techniques. However, many proposed XAI methods produce unverified outputs. Evaluation and verification are usually achieved with…

The black box nature of deep neural networks poses a significant challenge for the deployment of transparent and trustworthy artificial intelligence (AI) systems. With the growing presence of AI in society, it becomes increasingly important…

Explainable Artificial Intelligence (XAI) plays a crucial role in fostering transparency and trust in AI systems, where traditional XAI approaches typically offer one level of abstraction for explanations, often in the form of heatmaps…

Although artificial intelligence (AI) systems have been shown to improve the accuracy of initial melanoma diagnosis, the lack of transparency in how these systems identify melanoma poses severe obstacles to user acceptance. Explainable…

Knowledge graphs (KGs) are gaining prominence in Healthcare AI, especially in drug discovery and pharmaceutical research as they provide a structured way to integrate diverse information sources, enhancing AI system interpretability. This…

Causal opacity denotes the difficulty in understanding the "hidden" causal structure underlying the decisions of deep neural network (DNN) models. This leads to the inability to rely on and verify state-of-the-art DNN-based systems,…

Current research on Explainable AI (XAI) heavily targets on expert users (data scientists or AI developers). However, increasing importance has been argued for making AI more understandable to nonexperts, who are expected to leverage AI…

Deep generative models have achieved great success in areas such as image, speech, and natural language processing in the past few years. Thanks to the advances in graph-based deep learning, and in particular graph representation learning,…

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Explainable artificial intelligence (xAI) has gained significant attention in recent years. Among other things, explainablility for deep neural networks has been a topic of intensive research due to the meteoric rise in prominence of deep…

The increasing demand for transparent and reliable models, particularly in high-stakes decision-making areas such as medical image analysis, has led to the emergence of eXplainable Artificial Intelligence (XAI). Post-hoc XAI techniques,…

Due to the nature of deep learning approaches, it is inherently difficult to understand which aspects of a molecular graph drive the predictions of the network. As a mitigation strategy, we constrain certain weights in a multi-task graph…

Explainable Artificial Intelligence (XAI) is a rising field in AI. It aims to produce a demonstrative factor of trust, which for human subjects is achieved through communicative means, which Machine Learning (ML) algorithms cannot solely…

Generative Adversarial Networks (GANs) are a revolutionary class of Deep Neural Networks (DNNs) that have been successfully used to generate realistic images, music, text, and other data. However, GAN training presents many challenges,…

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Providing clear explanations to the choices of machine learning models is essential for these models to be deployed in crucial applications. Counterfactual and semi-factual explanations have emerged as two mechanisms for providing users…

There has been a significant surge of interest recently around the concept of explainable artificial intelligence (XAI), where the goal is to produce an interpretation for a decision made by a machine learning algorithm. Of particular…

Graph neural network (GNN) explanations have largely been facilitated through post-hoc introspection. While this has been deemed successful, many post-hoc explanation methods have been shown to fail in capturing a model's learned…

Explainable Artificial Intelligence (XAI) is an emerging research topic of machine learning aimed at unboxing how AI systems' black-box choices are made. This research field inspects the measures and models involved in decision-making and…