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Peptide-based drugs can bind to protein interaction sites that small molecules often cannot, and are easier to produce than large protein drugs. However, designing effective peptide binders is difficult. A typical peptide has an enormous…

Biomolecules · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

Taste peptides have emerged as promising natural flavoring agents attributed to their unique organoleptic properties, high safety profile, and potential health benefits. However, the de novo identification of taste peptides derived from…

De novo peptide sequencing is a fundamental computational technique for ascertaining amino acid sequences of peptides directly from tandem mass spectrometry data, eliminating the need for reference databases. Cutting-edge models usually…

Computational Engineering, Finance, and Science · Computer Science 2025-05-26 Ye Du , Chen Yang , Nanxi Yu , Wanyu Lin , Qian Zhao , Shujun Wang

For a very long time, unsupervised learning for anomaly detection has been at the heart of image processing research and a stepping stone for high performance industrial automation process. With the emergence of CNN, several methods have…

Computer Vision and Pattern Recognition · Computer Science 2023-06-19 Simon Thomine , Hichem Snoussi , Mahmoud Soua

Multimodal emotion recognition study is hindered by the lack of labelled corpora in terms of scale and diversity, due to the high annotation cost and label ambiguity. In this paper, we propose a pre-training model \textbf{MEmoBERT} for…

Computer Vision and Pattern Recognition · Computer Science 2021-11-02 Jinming Zhao , Ruichen Li , Qin Jin , Xinchao Wang , Haizhou Li

Knowledge distillation (KD) is one of the most useful techniques for light-weight neural networks. Although neural networks have a clear purpose of embedding datasets into the low-dimensional space, the existing knowledge was quite far from…

Computer Vision and Pattern Recognition · Computer Science 2021-04-29 Seunghyun Lee , Byung Cheol Song

There has been great interest recently in applying nonparametric kernel mixtures in a hierarchical manner to model multiple related data samples jointly. In such settings several data features are commonly present: (i) the related samples…

Methodology · Statistics 2017-04-18 Jacopo Soriano , Li Ma

Peptides are biomolecules comprised of amino acids that play an important role in our body. In recent years, peptides have received extensive attention in drug design and synthesis, and peptide prediction tasks help us better search for…

Machine Learning · Computer Science 2024-11-26 Zengzhu Guo , Zhiqi Ma

International Classification of Diseases (ICD) are the de facto codes used globally for clinical coding. These codes enable healthcare providers to claim reimbursement and facilitate efficient storage and retrieval of diagnostic…

Computation and Language · Computer Science 2022-02-22 Pavithra Rajendran , Alexandros Zenonos , Josh Spear , Rebecca Pope

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

Developing biologically plausible learning algorithms that can achieve performance comparable to error backpropagation remains a longstanding challenge. Existing approaches often compromise biological plausibility by entirely avoiding the…

Neural and Evolutionary Computing · Computer Science 2026-02-12 Changze Lv , Yifei Wang , Yanxun Zhang , Yiyang Lu , Jingwen Xu , Xiaohua Wang , Di Yu , Xin Du , Xuanjing Huang , Xiaoqing Zheng

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Clinical trials are crucial for drug development but are time consuming, expensive, and often burdensome on patients. More importantly, clinical trials face uncertain outcomes due to issues with efficacy, safety, or problems with patient…

Computers and Society · Computer Science 2022-03-15 Tianfan Fu , Kexin Huang , Cao Xiao , Lucas M. Glass , Jimeng Sun

This paper proposes a novel semi-supervised method on object recognition. First, based on Boost Picking, a universal algorithm, Boost Picking Teaching (BPT), is proposed to train an effective binary-classifier just using a few labeled data…

Computer Vision and Pattern Recognition · Computer Science 2019-08-17 Fuqiang Liu , Fukun Bi , Liang Chen

Neural networks can learn spurious correlations in the data, often leading to performance degradation for underrepresented subgroups. Studies have demonstrated that the disparity is amplified when knowledge is distilled from a complex…

Machine Learning · Computer Science 2025-11-11 Patrik Kenfack , Ulrich Aïvodji , Samira Ebrahimi Kahou

In visual tasks, large teacher models capture essential features and deep information, enhancing performance. However, distilling this information into smaller student models often leads to performance loss due to structural differences and…

Computer Vision and Pattern Recognition · Computer Science 2024-05-17 Zhiwei Wang , Jun Huang , Longhua Ma , Chengyu Wu , Hongyu Ma

Despite the prevalence and many successes of deep learning applications in de novo molecular design, the problem of peptide generation targeting specific proteins remains unsolved. A main barrier for this is the scarcity of the high-quality…

Computational Engineering, Finance, and Science · Computer Science 2023-02-06 Tong Lin , Sijie Chen , Ruchira Basu , Dehu Pei , Xiaolin Cheng , Levent Burak Kara

Figuring out small molecule binding sites in target proteins, in the resolution of either pocket or residue, is critical in many virtual and real drug-discovery scenarios. Since it is not always easy to find such binding sites based on…

Quantitative Methods · Quantitative Biology 2023-04-19 Daeseok Lee , Jeunghyun Byun , Bonggun Shin

Ensemble of machine learning models yields improved performance as well as robustness. However, their memory requirements and inference costs can be prohibitively high. Knowledge distillation is an approach that allows a single model to…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Zhengcong Fei , Shuman Tian , Junshi Huang , Xiaoming Wei , Xiaolin Wei

We introduce the "Incremental Implicitly-Refined Classi-fication (IIRC)" setup, an extension to the class incremental learning setup where the incoming batches of classes have two granularity levels. i.e., each sample could have a…

Computer Vision and Pattern Recognition · Computer Science 2021-01-13 Mohamed Abdelsalam , Mojtaba Faramarzi , Shagun Sodhani , Sarath Chandar