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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…

Machine Learning · Computer Science 2020-11-25 Ryan Henderson , Djork-Arné Clevert , Floriane Montanari

Graph Neural Networks (GNNs) have achieved tremendous success in graph representation learning. Unfortunately, current GNNs usually rely on loading the entire attributed graph into network for processing. This implicit assumption may not be…

Machine Learning · Computer Science 2022-02-15 Junfu Wang , Yunhong Wang , Zhen Yang , Liang Yang , Yuanfang Guo

The black-box nature of deep learning models has raised concerns about their interpretability for successful deployment in real-world clinical applications. To address the concerns, eXplainable Artificial Intelligence (XAI) aims to provide…

Computer Vision and Pattern Recognition · Computer Science 2024-11-07 Junlin Hou , Jilan Xu , Hao Chen

Recently, Graph Convolutional Network (GCN) has been widely used in Hyperspectral Image (HSI) classification due to its satisfactory performance. However, the number of labeled pixels is very limited in HSI, and thus the available…

Computer Vision and Pattern Recognition · Computer Science 2023-05-03 Wentao Yu , Sheng Wan , Guangyu Li , Jian Yang , Chen Gong

Explainable Artificial Intelligence (XAI) poses a significant challenge in providing transparent and understandable insights into complex AI models. Traditional post-hoc algorithms, while useful, often struggle to deliver interpretable…

Artificial Intelligence · Computer Science 2024-09-24 Adrita Barua , Cara Widmer , Pascal Hitzler

Synthetic Lethal (SL) relationships, though rare among the vast array of gene combinations, hold substantial promise for targeted cancer therapy. Despite advancements in AI model accuracy, there is still a significant need among domain…

Human-Computer Interaction · Computer Science 2024-07-23 Haoran Jiang , Shaohan Shi , Shuhao Zhang , Jie Zheng , Quan Li

Convolutional neural networks (CNNs) have achieved remarkable performance in hyperspectral image (HSI) classification over the last few years. Despite the progress that has been made, rich and informative spectral information of HSI has…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Huiling Wang

We propose a novel method that trains a conditional Generative Adversarial Network (GAN) to generate visual interpretations of a Convolutional Neural Network (CNN). To comprehend a CNN, the GAN is trained with information on how the CNN…

Computer Vision and Pattern Recognition · Computer Science 2023-11-10 R T Akash Guna , Raul Benitez , O K Sikha

Modern AI systems frequently rely on opaque black-box models, most notably Deep Neural Networks, whose performance stems from complex architectures with millions of learned parameters. While powerful, their complexity poses a major…

Machine Learning · Computer Science 2026-02-23 David Dembinsky , Adriano Lucieri , Stanislav Frolov , Hiba Najjar , Ko Watanabe , Andreas Dengel

The field of Explainable Artificial Intelligence (XAI) aims to build explainable and interpretable machine learning (or deep learning) methods without sacrificing prediction performance. Convolutional Neural Networks (CNNs) have been…

Computer Vision and Pattern Recognition · Computer Science 2021-11-23 Shaw-Hwa Lo , Yiqiao Yin

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Machine Learning · Computer Science 2023-02-20 Shivam Barwey , Varun Shankar , Venkatasubramanian Viswanathan , Romit Maulik

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

Explainable Artificial Intelligence (XAI) has been presented as the critical component for unlocking the potential of machine learning in mental health screening (MHS). However, a persistent lab-to-clinic gap remains. Current XAI…

Computation and Language · Computer Science 2025-10-17 Ratna Kandala , Akshata Kishore Moharir , Divya Arvinda Nayak

Mechanistic interpretability is an emerging diagnostic approach for neural models that has gained traction in broader natural language processing domains. This paradigm aims to provide attribution to components of neural systems where…

Information Retrieval · Computer Science 2025-01-20 Andrew Parry , Catherine Chen , Carsten Eickhoff , Sean MacAvaney

Ensuring the quality of black-box Deep Neural Networks (DNNs) has become ever more significant, especially in safety-critical domains such as automated driving. While global concept encodings generally enable a user to test a model for a…

Computer Vision and Pattern Recognition · Computer Science 2024-05-30 Franz Motzkus , Georgii Mikriukov , Christian Hellert , Ute Schmid

Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation…

Machine Learning · Computer Science 2024-08-14 Amr Alkhatib , Sofiane Ennadir , Henrik Boström , Michalis Vazirgiannis

We examined whether embedding human attention knowledge into saliency-based explainable AI (XAI) methods for computer vision models could enhance their plausibility and faithfulness. We first developed new gradient-based XAI methods for…

Computer Vision and Pattern Recognition · Computer Science 2023-05-08 Guoyang Liu , Jindi Zhang , Antoni B. Chan , Janet H. Hsiao

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Concept-based explainable AI is promising as a tool to improve the understanding of complex models at the premises of a given user, viz.\ as a tool for personalized explainability. An important class of concept-based explainability methods…

Knowledge representation learning has been commonly adopted to incorporate knowledge graph (KG) into various online services. Although existing knowledge representation learning methods have achieved considerable performance improvement,…

Machine Learning · Computer Science 2022-05-18 Binbin Hu , Zhiyang Hu , Zhiqiang Zhang , Jun Zhou , Chuan Shi