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Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Transparent models, which provide inherently interpretable predictions, are receiving significant attention in high-stakes domains. However, despite much real-world data being collected as time series, there is a lack of studies on…

Machine Learning · Computer Science 2025-12-17 Minkyu Kim , Suan Lee , Jinho Kim

Despite the recent progress in Graph Neural Networks (GNNs), it remains challenging to explain the predictions made by GNNs. Existing explanation methods mainly focus on post-hoc explanations where another explanatory model is employed to…

Machine Learning · Computer Science 2021-12-03 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Cheekong Lee

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

The ability to interpret machine learning model decisions is critical in such domains as healthcare, where trust in model predictions is as important as their accuracy. Inspired by the development of prototype parts-based deep neural…

Machine Learning · Computer Science 2026-03-06 Jacek Karolczak , Jerzy Stefanowski

Neural Architecture Search (NAS) has emerged as a key tool in identifying optimal configurations of deep neural networks tailored to specific tasks. However, training and assessing numerous architectures introduces considerable…

Machine Learning · Computer Science 2024-04-25 Haoming Zhang , Ran Cheng

Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be problematic when there are insufficient…

Machine Learning · Computer Science 2024-08-20 Andrei Margeloiu , Nikola Simidjievski , Pietro Lio , Mateja Jamnik

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Machine Learning · Computer Science 2019-09-11 Kaixiong Zhou , Qingquan Song , Xiao Huang , Xia Hu

This work presents a novel approach to tabular data prediction leveraging graph structure learning and graph neural networks. Despite the prevalence of tabular data in real-world applications, traditional deep learning methods often…

Machine Learning · Computer Science 2023-05-26 Jay Chiehen Liao , Cheng-Te Li

In this survey, we dive into Tabular Data Learning (TDL) using Graph Neural Networks (GNNs), a domain where deep learning-based approaches have increasingly shown superior performance in both classification and regression tasks compared to…

Machine Learning · Computer Science 2024-01-05 Cheng-Te Li , Yu-Che Tsai , Chih-Yao Chen , Jay Chiehen Liao

Interpretable machine learning has demonstrated impressive performance while preserving explainability. In particular, neural additive models (NAM) offer the interpretability to the black-box deep learning and achieve state-of-the-art…

Machine Learning · Statistics 2022-02-28 Shiyun Xu , Zhiqi Bu , Pratik Chaudhari , Ian J. Barnett

The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent…

Machine Learning · Computer Science 2024-02-21 Sangwoo Seo , Sungwon Kim , Chanyoung Park

In recent years, deep neural networks have showcased their predictive power across a variety of tasks. Beyond natural language processing, the transformer architecture has proven efficient in addressing tabular data problems and challenges…

Machine Learning · Computer Science 2025-04-14 Anton Thielmann , Arik Reuter , Benjamin Saefken

Tabular data remains one of the most prevalent data types across a wide range of real-world applications, yet effective representation learning for this domain poses unique challenges due to its irregular patterns, heterogeneous feature…

Machine Learning · Computer Science 2025-01-08 Weijieying Ren , Tianxiang Zhao , Yuqing Huang , Vasant Honavar

A new modification of the Neural Additive Model (NAM) called SurvNAM and its modifications are proposed to explain predictions of the black-box machine learning survival model. The method is based on applying the original NAM to solving the…

Machine Learning · Computer Science 2021-04-20 Lev V. Utkin , Egor D. Satyukov , Andrei V. Konstantinov

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from…

Machine Learning · Computer Science 2025-05-30 Jingzhe Liu , Haitao Mao , Zhikai Chen , Bingheng Li , Wenqi Fan , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Handling heterogeneous data in tabular datasets poses a significant challenge for deep learning models. While attention-based architectures and self-supervised learning have achieved notable success, their application to tabular data…

Machine Learning · Computer Science 2025-02-27 Anay Majee , Maria Xenochristou , Wei-Peng Chen

Intelligibility and accurate uncertainty estimation are crucial for reliable decision-making. In this paper, we propose EviNAM, an extension of evidential learning that integrates the interpretability of Neural Additive Models (NAMs) with…

Machine Learning · Computer Science 2026-01-14 Sören Schleibaum , Anton Frederik Thielmann , Julian Teusch , Benjamin Säfken , Jörg P. Müller

Tabular anomaly detection, which aims at identifying deviant samples, has been crucial in a variety of real-world applications, such as medical disease identification, financial fraud detection, intrusion monitoring, etc. Although recent…

Machine Learning · Computer Science 2025-06-04 Ruiying Lu , Jinhan Liu , Chuan Du , Dandan Guo