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We propose a novel explanation method that explains the decisions of a deep neural network by investigating how the intermediate representations at each layer of the deep network were refined during the training process. This way we can a)…

Machine Learning · Computer Science 2021-09-14 Lukas Pfahler , Katharina Morik

Attempts to render deep learning models interpretable, data-efficient, and robust have seen some success through hybridisation with rule-based systems, for example, in Neural Theorem Provers (NTPs). These neuro-symbolic models can induce…

Artificial Intelligence · Computer Science 2020-08-25 Pasquale Minervini , Sebastian Riedel , Pontus Stenetorp , Edward Grefenstette , Tim Rocktäschel

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…

Artificial Intelligence · Computer Science 2026-01-08 Ly Ly Trieu , Tran Cao Son

Deep Neural Networks (DNNs) are widely used for their ability to effectively approximate large classes of functions. This flexibility, however, makes the strict enforcement of constraints on DNNs an open problem. Here we present a framework…

Machine Learning · Computer Science 2023-02-10 Eric Marcus , Ray Sheombarsing , Jan-Jakob Sonke , Jonas Teuwen

Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…

Machine Learning · Computer Science 2025-06-04 Bin Ma , Yuyuan Feng , Minhua Lin , Enyan Dai

In recent years, artificial intelligence (AI) systems have come to the forefront. These systems, mostly based on Deep learning (DL), achieve excellent results in areas such as image processing, natural language processing, or speech…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Frantisek Sefcik , Wanda Benesova

Explainable Artificial Intelligence (xAI) has the potential to enhance the transparency and trust of AI-based systems. Although accurate predictions can be made using Deep Neural Networks (DNNs), the process used to arrive at such…

Computer Vision and Pattern Recognition · Computer Science 2024-08-09 Bhushan Atote , Victor Sanchez

Predicting the response of a cancer cell line to a therapeutic drug is pivotal for personalized medicine. Despite numerous deep learning methods that have been developed for drug response prediction, integrating diverse information about…

Machine Learning · Computer Science 2025-03-31 Haoyuan Shi , Tao Xu , Xiaodi Li , Qian Gao , Zhiwei Xiong , Junfeng Xia , Zhenyu Yue

Double descent refers to the phase transition that is exhibited by the generalization error of unregularized learning models when varying the ratio between the number of parameters and the number of training samples. The recent success of…

Machine Learning · Computer Science 2020-06-19 Michał Dereziński , Feynman Liang , Michael W. Mahoney

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

Machine Learning · Computer Science 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

Sophisticated machine models are increasingly used for high-stakes decisions in everyday life. There is an urgent need to develop effective explanation techniques for such automated decisions. Rule-Based Explanations have been proposed for…

Machine Learning · Computer Science 2022-11-01 Zixuan Geng , Maximilian Schleich , Dan Suciu

Deep learning models have achieved remarkable success in computer vision but still rely heavily on large-scale labeled data and tend to overfit when data is limited or distributions shift. Data augmentation -- particularly mask-based…

Computer Vision and Pattern Recognition · Computer Science 2026-01-16 Shuyin Xia , Fan Chen , Dawei Dai , Meng Yang , Junwei Han , Xinbo Gao , Guoyin Wang

Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…

Computational Physics · Physics 2021-07-23 Luning Sun , Han Gao , Shaowu Pan , Jian-Xun Wang

Distributed representation learned with neural networks has recently shown to be effective in modeling natural languages at fine granularities such as words, phrases, and even sentences. Whether and how such an approach can be extended to…

Computation and Language · Computer Science 2016-10-27 Qian Chen , Xiaodan Zhu , Zhenhua Ling , Si Wei , Hui Jiang

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

Graph Neural Networks (GNNs) are gaining extensive attention for their application in graph data. However, the black-box nature of GNNs prevents users from understanding and trusting the models, thus hampering their applicability. Whereas…

Machine Learning · Computer Science 2023-05-23 Qizhang Feng , Ninghao Liu , Fan Yang , Ruixiang Tang , Mengnan Du , Xia Hu

Scaling model capacity has been vital in the success of deep learning. For a typical network, necessary compute resources and training time grow dramatically with model size. Conditional computation is a promising way to increase the number…

Machine Learning · Computer Science 2018-11-14 Louis Kirsch , Julius Kunze , David Barber

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by…

Numerical Analysis · Mathematics 2020-08-26 Dimitris G. Giovanis , Michael D. Shields

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou
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