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Proteins perform a large variety of functions in living organisms, thus playing a key role in biology. As of now, available learning algorithms to process protein data do not consider several particularities of such data and/or do not scale…

Understanding how protein mutations affect protein structure is essential for advancements in computational biology and bioinformatics. We introduce PRIMRose, a novel approach that predicts energy values for each residue given a mutated…

Biomolecules · Quantitative Biology 2025-12-09 Stella Brown , Nicolas Preisig , Autumn Davis , Brian Hutchinson , Filip Jagodzinski

Deep facial expression recognition faces two challenges that both stem from the large number of trainable parameters: long training times and a lack of interpretability. We propose a novel method based on evolutionary algorithms, that deals…

Neural and Evolutionary Computing · Computer Science 2020-10-14 Emmanuel Dufourq , Bruce A. Bassett

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and…

Machine Learning · Computer Science 2024-12-30 Kaihui Cheng , Ce Liu , Qingkun Su , Jun Wang , Liwei Zhang , Yining Tang , Yao Yao , Siyu Zhu , Yuan Qi

Variant effect predictors (VEPs) aim to assess the functional impact of protein variants, traditionally relying on multiple sequence alignments (MSAs). This approach assumes that naturally occurring variants are fit, an assumption…

Machine Learning · Computer Science 2025-07-04 Antoine Honoré , Borja Rodríguez Gálvez , Yoomi Park , Yitian Zhou , Volker M. Lauschke , Ming Xiao

Accurate protein function prediction requires integrating heterogeneous intrinsic signals (e.g., sequence and structure) with noisy extrinsic contexts (e.g., protein-protein interactions and GO term annotations). However, two key challenges…

Machine Learning · Computer Science 2025-10-28 Runjie Zheng , Zhen Wang , Anjie Qiao , Jiancong Xie , Jiahua Rao , Yuedong Yang

As the application of deep learning in dermatology continues to grow, the recognition of melanoma has garnered significant attention, demonstrating potential for improving diagnostic accuracy. Despite advancements in image classification…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Rujosh Polma , Krishnan Menon Iyer

Optimizing conflicting molecular properties while strictly adhering to complex 3D structural constraints constitutes a challenging Constrained Multi-Objective Optimization Problem (CMOP). Traditional Evolutionary Algorithms (EAs) destroy…

Neural and Evolutionary Computing · Computer Science 2026-04-09 Ruiqing Sun , Dawei Feng , Sen Yang , Ronghang Wang , Huaiyuan Song , Bo Ding , Yijie Wang , Huaimin Wang

Deep learning-based image fusion approaches have obtained wide attention in recent years, achieving promising performance in terms of visual perception. However, the fusion module in the current deep learning-based methods suffers from two…

Computer Vision and Pattern Recognition · Computer Science 2022-02-01 Dongyu Rao , Xiao-Jun Wu , Tianyang Xu , Guoyang Chen

Protein inverse folding aims to design an amino acid sequence that will fold into a given backbone structure, serving as a central task in protein design. Two main paradigms have been widely explored. Template-based methods exploit…

Machine Learning · Computer Science 2026-03-17 Yiran Zhu , Changxi Chi , Hongxin Xiang , Wenjie Du , Xiaoqi Wang , Jun Xia

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

The challenge in biomarker discovery using machine learning from omics data lies in the abundance of molecular features but scarcity of samples. Most feature selection methods in machine learning require evaluating various sets of features…

Quantitative Methods · Quantitative Biology 2025-01-03 Luca Cattelani , Vittorio Fortino

Multi-contrast magnetic resonance imaging (MRI) super-resolution intends to reconstruct high-resolution (HR) images from low-resolution (LR) scans by leveraging structural information present in HR reference images acquired with different…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Xianming Gu , Lihui Wang , Ying Cao , Zeyu Deng , Yingfeng Ou , Guodong Hu , Yi Chen

Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi

One of the main obstacles of adopting digital pathology is the challenge of efficient processing of hyperdimensional digitized biopsy samples, called whole slide images (WSIs). Exploiting deep learning and introducing compact WSI…

Computer Vision and Pattern Recognition · Computer Science 2023-04-19 Azam Asilian Bidgoli , Shahryar Rahnamayan , Taher Dehkharghanian , Abtin Riasatian , H. R. Tizhoosh

The integration of multi-modal Magnetic Resonance Imaging (MRI) and clinical data holds great promise for enhancing the diagnosis of neurological disorders (NDs) in real-world clinical settings. Deep Learning (DL) has recently emerged as a…

Image and Video Processing · Electrical Eng. & Systems 2025-06-19 Wajih Hassan Raza , Aamir Bader Shah , Yu Wen , Yidan Shen , Juan Diego Martinez Lemus , Mya Caryn Schiess , Timothy Michael Ellmore , Renjie Hu , Xin Fu

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

Evolutionary computation methods have been successfully applied to neural networks since two decades ago, while those methods cannot scale well to the modern deep neural networks due to the complicated architectures and large quantities of…

Neural and Evolutionary Computing · Computer Science 2019-03-12 Yanan Sun , Bing Xue , Mengjie Zhang , Gary G. Yen

Understanding the intertwined contributions of amino acid sequence and spatial structure is essential to explain protein behaviour. Here, we introduce INFUSSE (Integrated Network Framework Unifying Structure and Sequence Embeddings), a deep…

Quantitative Methods · Quantitative Biology 2025-11-07 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi