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Deep neural networks that yield human interpretable decisions by architectural design have lately become an increasingly popular alternative to post hoc interpretation of traditional black-box models. Among these networks, the arguably most…

Computer Vision and Pattern Recognition · Computer Science 2021-06-24 Adrian Hoffmann , Claudio Fanconi , Rahul Rade , Jonas Kohler

We introduce ProtoSeg, a novel model for interpretable semantic image segmentation, which constructs its predictions using similar patches from the training set. To achieve accuracy comparable to baseline methods, we adapt the mechanism of…

Computer Vision and Pattern Recognition · Computer Science 2025-06-30 Mikołaj Sacha , Dawid Rymarczyk , Łukasz Struski , Jacek Tabor , Bartosz Zieliński

Post-translational modifications (PTMs) profoundly expand the complexity and functionality of the proteome, regulating protein attributes and interactions that are crucial for biological processes. Accurately predicting PTM sites and their…

Machine Learning · Computer Science 2024-11-05 Cheng Tan , Zhenxiao Cao , Zhangyang Gao , Lirong Wu , Siyuan Li , Yufei Huang , Jun Xia , Bozhen Hu , Stan Z. Li

We propose a novel interpretable deep neural network for text classification, called ProtoryNet, based on a new concept of prototype trajectories. Motivated by the prototype theory in modern linguistics, ProtoryNet makes a prediction by…

Machine Learning · Computer Science 2023-11-07 Dat Hong , Tong Wang , Stephen S. Baek

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

Pathology foundation models learn morphological representations through self-supervised pretraining on large-scale whole-slide images, yet they do not explicitly capture the underlying molecular state of the tissue. Spatial transcriptomics…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Minsoo Lee , Jonghyun Kim , Juseung Yun , Sunwoo Yu , Jongseong Jang

Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Biomolecules · Quantitative Biology 2024-03-08 Zhaoqun Li , Jingcheng Yu , Qiwei Ye

Recent advancements in machine learning techniques for protein folding motivate better results in its inverse problem -- protein design. In this work we introduce a new graph mimetic neural network, MimNet, and show that it is possible to…

Biomolecules · Quantitative Biology 2021-02-09 Moshe Eliasof , Tue Boesen , Eldad Haber , Chen Keasar , Eran Treister

Classifying images with an interpretable decision-making process is a long-standing problem in computer vision. In recent years, Prototypical Part Networks has gained traction as an approach for self-explainable neural networks, due to…

Computer Vision and Pattern Recognition · Computer Science 2025-03-14 Zhijie Zhu , Lei Fan , Maurice Pagnucco , Yang Song

Protein post-translational modification (PTM) site prediction is a fundamental task in bioinformatics. Several computational methods have been developed to predict PTM sites. However, existing methods ignore the structure information and…

Quantitative Methods · Quantitative Biology 2024-01-19 Zhengyi Li , Menglu Li , Lida Zhu , Wen Zhang

Prototypical part learning is emerging as a promising approach for making semantic segmentation interpretable. The model selects real patches seen during training as prototypes and constructs the dense prediction map based on the similarity…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Hugo Porta , Emanuele Dalsasso , Diego Marcos , Devis Tuia

Liquid chromatography with tandem mass spectrometry (LC-MS/MS) based proteomics is a well-established research field with major applications such as identification of disease biomarkers, drug discovery, drug design and development. In…

Quantitative Methods · Quantitative Biology 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Medical image segmentation is a fundamental task for medical image analysis and surgical planning. In recent years, UNet-based networks have prevailed in the field of medical image segmentation. However, convolution-neural networks (CNNs)…

Computer Vision and Pattern Recognition · Computer Science 2023-06-06 Xin You , Junjun He , Jie Yang , Yun Gu

The advancement of medical image segmentation techniques has been propelled by the adoption of deep learning techniques, particularly UNet-based approaches, which exploit semantic information to improve the accuracy of segmentations.…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Ranmin Wang , Limin Zhuang , Hongkun Chen , Boyan Xu , Ruichu Cai

Tumour heterogeneity in breast cancer poses challenges in predicting outcome and response to therapy. Spatial transcriptomics technologies may address these challenges, as they provide a wealth of information about gene expression at the…

Image and Video Processing · Electrical Eng. & Systems 2023-09-19 Md Mamunur Rahaman , Ewan K. A. Millar , Erik Meijering

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

During the past decade, with the significant progress of computational power as well as ever-rising data availability, deep learning techniques became increasingly popular due to their excellent performance on computer vision problems. The…

Quantitative Methods · Quantitative Biology 2017-07-20 Afshine Amidi , Shervine Amidi , Dimitrios Vlachakis , Vasileios Megalooikonomou , Nikos Paragios , Evangelia I. Zacharaki

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Graph-based spatio-temporal neural networks are effective to model the spatial dependency among discrete points sampled irregularly from unstructured grids, thanks to the great expressiveness of graph neural networks. However, these models…

Machine Learning · Computer Science 2022-04-22 Haitao Lin , Guojiang Zhao , Lirong Wu , Stan Z. Li