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Predicting protein properties such as solvent accessibility and secondary structure from its primary amino acid sequence is an important task in bioinformatics. Recently, a few deep learning models have surpassed the traditional window…

Machine Learning · Computer Science 2016-05-11 Zeming Lin , Jack Lanchantin , Yanjun Qi

Convolutional Neural Networks (CNNs) have exhibited great performance in discriminative feature learning for complex visual tasks. Besides discrimination power, interpretability is another important yet under-explored property for CNNs. One…

Computer Vision and Pattern Recognition · Computer Science 2023-12-20 Wengang Guo , Jiayi Yang , Huilin Yin , Qijun Chen , Wei Ye

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

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Interpreting how does deep neural networks (DNNs) make predictions is a vital field in artificial intelligence, which hinders wide applications of DNNs. Visualization of learned representations helps we humans understand the vision of DNNs.…

Computer Vision and Pattern Recognition · Computer Science 2021-06-21 Chen Li , Jinzhe Jiang , Xin Zhang , Tonghuan Zhang , Yaqian Zhao , Dongdong Jiang , RenGang Li

In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Single neurons in neural networks are often interpretable in that they represent individual, intuitively meaningful features. However, many neurons exhibit $\textit{mixed selectivity}$, i.e., they represent multiple unrelated features. A…

Machine Learning · Statistics 2023-10-19 David Klindt , Sophia Sanborn , Francisco Acosta , Frédéric Poitevin , Nina Miolane

Visual media are powerful means of expressing emotions and sentiments. The constant generation of new content in social networks highlights the need of automated visual sentiment analysis tools. While Convolutional Neural Networks (CNNs)…

Multimedia · Computer Science 2015-08-25 Victor Campos , Amaia Salvador , Brendan Jou , Xavier Giró-i-Nieto

In recent years, deep learning poses a deep technical revolution in almost every field and attracts great attentions from industry and academia. Especially, the convolutional neural network (CNN), one representative model of deep learning,…

Human-Computer Interaction · Computer Science 2018-07-09 Mao Yang , Bo Li , Guanxiong Feng , Zhongjiang Yan

As interpretability has been pointed out as the obstacle to the adoption of Deep Neural Networks (DNNs), there is an increasing interest in solving a transparency issue to guarantee the impressive performance. In this paper, we demonstrate…

Image and Video Processing · Electrical Eng. & Systems 2021-07-20 Woo-Jeoung Nam , Seong-Whan Lee

Protein-ligand scoring is a central component of structure-based drug design, underpinning molecular docking, virtual screening, and pose optimization. Conventional physics-based energy functions are often computationally expensive,…

Biomolecules · Quantitative Biology 2026-02-24 Zhangfan Yang , Baoyun Chen , Dong Xu , Jia Wang , Ruibin Bai , Junkai Ji , Zexuan Zhu

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Convolutional neural networks (CNNs) have been successful in representing the fully-connected inferencing ability perceived to be seen in the human brain: they take full advantage of the hierarchy-style patterns commonly seen in complex…

Computer Vision and Pattern Recognition · Computer Science 2023-12-12 Joshua Ball

The convolutional neural network (CNN) has become a powerful tool for various biomedical image analysis tasks, but there is a lack of visual explanation for the machinery of CNNs. In this paper, we present a novel algorithm,…

Computer Vision and Pattern Recognition · Computer Science 2018-06-08 Guannan Zhao , Bo Zhou , Kaiwen Wang , Rui Jiang , Min Xu

Computer aided detection and diagnosis systems based on deep learning have shown promising performance in breast cancer detection. However, there are cases where the obtained results lack justification. In this study, our objective is to…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Imane Nedjar , Mohammed Brahimi , Said Mahmoudi , Khadidja Abi Ayad , Mohammed Amine Chikh

As Convolutional Neural Networks embed themselves into our everyday lives, the need for them to be interpretable increases. However, there is often a trade-off between methods that are efficient to compute but produce an explanation that is…

Computer Vision and Pattern Recognition · Computer Science 2019-08-27 Thomas Hartley , Kirill Sidorov , Christopher Willis , David Marshall

Understanding how cities visually differ from each others is interesting for planners, residents, and historians. We investigate the interpretation of deep features learned by convolutional neural networks (CNNs) for city recognition. Given…

Computer Vision and Pattern Recognition · Computer Science 2019-05-07 Xiangwei Shi , Seyran Khademi , Jan van Gemert

For convolutional neural network models that optimize an image embedding, we propose a method to highlight the regions of images that contribute most to pairwise similarity. This work is a corollary to the visualization tools developed for…

Computer Vision and Pattern Recognition · Computer Science 2019-01-04 Abby Stylianou , Richard Souvenir , Robert Pless