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Protein-ligand scoring is an important step in a structure-based drug design pipeline. Selecting a correct binding pose and predicting the binding affinity of a protein-ligand complex enables effective virtual screening. Machine learning…

Machine Learning · Statistics 2020-10-19 Joshua Hochuli , Alec Helbling , Tamar Skaist , Matthew Ragoza , David Ryan Koes

Previous work has shown that feature maps of deep convolutional neural networks (CNNs) can be interpreted as feature representation of a particular image region. Features aggregated from these feature maps have been exploited for image…

Computer Vision and Pattern Recognition · Computer Science 2016-11-08 Jiedong Hao , Jing Dong , Wei Wang , Tieniu Tan

We present a deformable prototypical part network (Deformable ProtoPNet), an interpretable image classifier that integrates the power of deep learning and the interpretability of case-based reasoning. This model classifies input images by…

Computer Vision and Pattern Recognition · Computer Science 2024-05-06 Jon Donnelly , Alina Jade Barnett , Chaofan Chen

Due to the automatic feature extraction procedure via multi-layer nonlinear transformations, the deep learning-based visual trackers have recently achieved great success in challenging scenarios for visual tracking purposes. Although many…

Computer Vision and Pattern Recognition · Computer Science 2020-12-23 Seyed Mojtaba Marvasti-Zadeh , Hossein Ghanei-Yakhdan , Shohreh Kasaei

We test this premise and explore representation spaces from a single deep convolutional network and their visualization to argue for a novel unified feature extraction framework. The objective is to utilize and re-purpose trained feature…

Computer Vision and Pattern Recognition · Computer Science 2017-07-19 Dalton Lunga , Dilip Patlolla , Lexie Yang , Jeanette Weaver , Budhendra Bhadhuri

This paper presents an unsupervised method to learn a neural network, namely an explainer, to interpret a pre-trained convolutional neural network (CNN), i.e., the explainer uses interpretable visual concepts to explain features in middle…

Machine Learning · Computer Science 2019-01-24 Quanshi Zhang , Yu Yang , Ying Nian Wu

We propose a novel approach to image classification inspired by complex nonlinear biological visual processing, whereby classical convolutional neural networks (CNNs) are equipped with learnable higher-order convolutions. Our model…

Computer Vision and Pattern Recognition · Computer Science 2025-12-03 Simone Azeglio , Olivier Marre , Peter Neri , Ulisse Ferrari

In recent years, image forensics has attracted more and more attention, and many forensic methods have been proposed for identifying image processing operations. Up to now, most existing methods are based on hand crafted features, and just…

Multimedia · Computer Science 2020-09-01 Bolin Chen , Haodong Li , Weiqi Luo

Convolutional neural networks (CNNs) learn abstract features to perform object classification, but understanding these features remains challenging due to difficult-to-interpret results or high computational costs. We propose an automatic…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Maren H. Wehrheim , Pamela Osuna-Vargas , Matthias Kaschube

In this paper, we generate and control semantically interpretable filters that are directly learned from natural images in an unsupervised fashion. Each semantic filter learns a visually interpretable local structure in conjunction with…

Computer Vision and Pattern Recognition · Computer Science 2019-02-19 Mohit Prabhushankar , Gukyeong Kwon , Dogancan Temel , Ghassan AlRegib

To truly understand vision models, we must not only interpret their learned features but also validate these interpretations through controlled experiments. While earlier work offers either rich semantics or direct control, few post-hoc…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Samuel Stevens , Wei-Lun Chao , Tanya Berger-Wolf , Yu Su

Kernels are often developed and used as implicit mapping functions that show impressive predictive power due to their high-dimensional feature space representations. In this study, we gradually construct a series of simple feature maps that…

Machine Learning · Computer Science 2020-07-20 Gurhan Ceylan , S. Ilker Birbil

Today's deep learning systems deliver high performance based on end-to-end training. While they deliver strong performance, these systems are hard to interpret. To address this issue, we propose Semantic Bottleneck Networks (SBN): deep…

Computer Vision and Pattern Recognition · Computer Science 2019-07-30 Max Losch , Mario Fritz , Bernt Schiele

Deep learning techniques have proven highly effective in image classification, but their deployment in resourceconstrained environments remains challenging due to high computational demands. Furthermore, their interpretability is of high…

Machine Learning · Computer Science 2024-12-06 Alireza Maleki , Mahsa Lavaei , Mohsen Bagheritabar , Salar Beigzad , Zahra Abadi

Although image restoration has advanced significantly, most existing methods target only a single type of degradation. In real-world scenarios, images often contain multiple degradations simultaneously, such as rain, noise, and haze,…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Hu Gao , Xiaoning Lei , Xichen Xu , Depeng Dang , Lizhuang Ma

In image classification task, feature extraction is always a big issue. Intra-class variability increases the difficulty in designing the extractors. Furthermore, hand-crafted feature extractor cannot simply adapt new situation. Recently,…

Computer Vision and Pattern Recognition · Computer Science 2020-06-18 Chieh-Ning Fang , Chin-Teng Lin

Deep Neural Networks (DNNs) demonstrate remarkable capabilities in learning complex hierarchical data representations, but the nature of these representations remains largely unknown. Existing global explainability methods, such as Network…

Machine Learning · Computer Science 2024-01-19 Kirill Bykov , Laura Kopf , Shinichi Nakajima , Marius Kloft , Marina M. -C. Höhne

Deep reinforcement learning (RL) has recently led to many breakthroughs on a range of complex control tasks. However, the agent's decision-making process is generally not transparent. The lack of interpretability hinders the applicability…

Computer Vision and Pattern Recognition · Computer Science 2021-03-22 Wenjie Shi , Gao Huang , Shiji Song , Zhuoyuan Wang , Tingyu Lin , Cheng Wu

In recent years, convolutional neural networks (CNNs) have been applied successfully in many fields. However, such deep neural models are still regarded as black box in most tasks. One of the fundamental issues underlying this problem is…

Computer Vision and Pattern Recognition · Computer Science 2021-11-04 Dawei Dai , Yutang Li , Huanan Bao , Sy Xia , Guoyin Wang , Xiaoli Ma

Feature attribution (FA), or the assignment of class-relevance to different locations in an image, is important for many classification problems but is particularly crucial within the neuroscience domain, where accurate mechanistic models…

Machine Learning · Computer Science 2020-06-17 Cher Bass , Mariana da Silva , Carole Sudre , Petru-Daniel Tudosiu , Stephen M. Smith , Emma C. Robinson