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International initiatives such as METABRIC (Molecular Taxonomy of Breast Cancer International Consortium) have collected several multigenomic and clinical data sets to identify the undergoing molecular processes taking place throughout the…

Machine Learning · Computer Science 2022-11-29 Teodora Reu

Deep learning models suffer from opaqueness. For Convolutional Neural Networks (CNNs), current research strategies for explaining models focus on the target classes within the associated training dataset. As a result, the understanding of…

Computer Vision and Pattern Recognition · Computer Science 2021-02-23 Xuehao Liu , Sarah Jane Delany , Susan McKeever

Deep learning as represented by the artificial deep neural networks (DNNs) has achieved great success in many important areas that deal with text, images, videos, graphs, and so on. However, the black-box nature of DNNs has become one of…

Machine Learning · Computer Science 2021-09-29 Fenglei Fan , Jinjun Xiong , Mengzhou Li , Ge Wang

Gene expression datasets offer insights into gene regulation mechanisms, biochemical pathways, and cellular functions. Additionally, comparing gene expression profiles between disease and control patients can deepen the understanding of…

Machine Learning · Computer Science 2025-03-27 Rita T. Sousa , Heiko Paulheim

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

Machine Learning · Computer Science 2023-03-10 Han Xuanyuan , Pietro Barbiero , Dobrik Georgiev , Lucie Charlotte Magister , Pietro Lió

The intrinsic complexity of human biology presents ongoing challenges to scientific understanding. Researchers collaborate across disciplines to expand our knowledge of the biological interactions that define human life. AI methodologies…

Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely…

Molecular Networks · Quantitative Biology 2026-05-22 Kyle Higgins , Ivan Laponogov , Dennis Veselkov , Kirill Veselkov

Deep learning models have gained great popularity in statistical modeling because they lead to very competitive regression models, often outperforming classical statistical models such as generalized linear models. The disadvantage of deep…

Machine Learning · Computer Science 2021-07-26 Ronald Richman , Mario V. Wüthrich

In the context of artificial intelligence, the inherent human attribute of engaging in logical reasoning to facilitate decision-making is mirrored by the concept of explainability, which pertains to the ability of a model to provide a clear…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Francesco Di Luzio , Antonello Rosato , Massimo Panella

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Interpretability of deep neural networks (DNNs) is essential since it enables users to understand the overall strengths and weaknesses of the models, conveys an understanding of how the models will behave in the future, and how to diagnose…

Computer Vision and Pattern Recognition · Computer Science 2017-03-31 Yinpeng Dong , Hang Su , Jun Zhu , Bo Zhang

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules…

Machine Learning · Computer Science 2022-08-26 Jay Morgan , Adeline Paiement , Christian Klinke

Currently, Deep Learning (DL) components within a Case-Based Reasoning (CBR) application often lack the comprehensive integration of available domain knowledge. The trend within machine learning towards so-called Informed machine learning…

Artificial Intelligence · Computer Science 2021-07-01 Maximilian Hoffmann , Ralph Bergmann

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

Being able to interpret, or explain, the predictions made by a machine learning model is of fundamental importance. This is especially true when there is interest in deploying data-driven models to make high-stakes decisions, e.g. in…

Machine Learning · Computer Science 2019-10-01 An-phi Nguyen , María Rodríguez Martínez

Social relationships (e.g., friends, couple etc.) form the basis of the social network in our daily life. Automatically interpreting such relationships bears a great potential for the intelligent systems to understand human behavior in…

Computer Vision and Pattern Recognition · Computer Science 2018-07-03 Zhouxia Wang , Tianshui Chen , Jimmy Ren , Weihao Yu , Hui Cheng , Liang Lin

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…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Julia Yang , Alina Jade Barnett , Jon Donnelly , Satvik Kishore , Jerry Fang , Fides Regina Schwartz , Chaofan Chen , Joseph Y. Lo , Cynthia Rudin

Interpretability has become an important issue in the machine learning field, along with the success of layered neural networks in various practical tasks. Since a trained layered neural network consists of a complex nonlinear relationship…

Machine Learning · Statistics 2018-05-22 Chihiro Watanabe , Kaoru Hiramatsu , Kunio Kashino

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

Omics data, such as transcriptomics, proteomics, and metabolomics, provide critical insights into disease mechanisms and clinical outcomes. However, their high dimensionality, small sample sizes, and intricate biological networks pose major…

Machine Learning · Computer Science 2026-01-22 Tiantian Yang , Yuxuan Wang , Zhenwei Zhou , Ching-Ti Liu
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