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We investigate the potential of patent data for improving the antibody humanness prediction using a multi-stage, multi-loss training process. Humanness serves as a proxy for the immunogenic response to antibody therapeutics, one of the…

Quantitative Methods · Quantitative Biology 2024-06-11 Talip Ucar , Aubin Ramon , Dino Oglic , Rebecca Croasdale-Wood , Tom Diethe , Pietro Sormanni

T cell receptor (TCR) recognition of peptide-MHC (pMHC) complexes is fundamental to adaptive immunity and central to the development of T cell-based immunotherapies. While transformer-based models have shown promise in predicting TCR-pMHC…

Computational Engineering, Finance, and Science · Computer Science 2025-09-23 Jiarui Li , Zixiang Yin , Zhengming Ding , Samuel J. Landry , Ramgopal R. Mettu

Recent research on predicting the binding affinity between drug molecules and proteins use representations learned, through unsupervised learning techniques, from large databases of molecule SMILES and protein sequences. While these…

The process of identifying and characterizing B-cell epitopes, which are the portions of antigens recognized by antibodies, is important for our understanding of the immune system, and for many applications including vaccine development,…

Quantitative Methods · Quantitative Biology 2025-12-10 Xiao Yuan

In recent days, Artificial Neural Network (ANN) can be applied to a vast majority of fields including business, medicine, engineering, etc. The most popular areas where ANN is employed nowadays are pattern and sequence recognition, novelty…

Computer Vision and Pattern Recognition · Computer Science 2019-02-06 Md. Abu Bakr Siddique , Mohammad Mahmudur Rahman Khan , Rezoana Bente Arif , Zahidun Ashrafi

Aptamers are single stranded DNA, RNA or peptide sequences having the ability to bind a variety of specific targets (proteins, molecules as well as ions). Therefore, aptamer production and selection for therapeutic and diagnostic…

Biomolecules · Quantitative Biology 2018-01-04 R. Cataldo , E. Alfinito , L. Reggiani

Subclasses of lymphocytes carry different functional roles to work together to produce an immune response and lasting immunity. Additionally to these functional roles, T and B-cell lymphocytes rely on the diversity of their receptor chains…

Populations and Evolution · Quantitative Biology 2021-04-28 Giulio Isacchini , Aleksandra M Walczak , Thierry Mora , Armita Nourmohammad

Classifiers trained using conventional empirical risk minimization or maximum likelihood methods are known to suffer dramatic performance degradations when tested over examples adversarially selected based on knowledge of the classifier's…

Machine Learning · Statistics 2018-03-01 Alireza Bagheri , Osvaldo Simeone , Bipin Rajendran

Protein dynamics play a crucial role in many biological processes and drug interactions. However, measuring, and simulating protein dynamics is challenging and time-consuming. While machine learning holds promise in deciphering the…

Machine Learning · Computer Science 2024-08-23 Sina Sarparast , Aldo Zaimi , Maximilian Ebert , Michael-Rock Goldsmith

This paper is concerned with programming adaptive linear neural networks (ALNNs) using chemical reaction networks (CRNs) equipped with mass-action kinetics. Through individually programming the forward propagation and the backpropagation of…

Dynamical Systems · Mathematics 2022-04-14 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao

The affinity and specificity of protein-molecule binding directly impact functional outcomes, uncovering the mechanisms underlying biological regulation and signal transduction. Most deep-learning-based prediction approaches focus on…

Machine Learning · Computer Science 2025-06-03 Haitao Lin , Odin Zhang , Jia Xu , Yunfan Liu , Zheng Cheng , Lirong Wu , Yufei Huang , Zhifeng Gao , Stan Z. Li

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is…

Computer Vision and Pattern Recognition · Computer Science 2015-01-08 Julien Mairal , Piotr Koniusz , Zaid Harchaoui , Cordelia Schmid

We attempt to interpret how adversarially trained convolutional neural networks (AT-CNNs) recognize objects. We design systematic approaches to interpret AT-CNNs in both qualitative and quantitative ways and compare them with normally…

Machine Learning · Computer Science 2019-05-24 Tianyuan Zhang , Zhanxing Zhu

In the present paper a newer application of Artificial Neural Network (ANN) has been developed i.e., predicting response-function results of electrical-mechanical system through ANN. This method is specially useful to complex systems for…

Neural and Evolutionary Computing · Computer Science 2011-11-09 R. C. Gupta , Ankur Agarwal , Ruchi Gupta , Sanjay Gupta

The immune checkpoint inhibitors have demonstrated promising clinical efficacy across various tumor types, yet the percentage of patients who benefit from them remains low. The bindings between tumor antigens and HLA-I/TCR molecules…

Biomolecules · Quantitative Biology 2025-01-13 Chenpeng Yu , Xing Fang , Hui Liu

The adaptive immune system is a natural diagnostic and therapeutic. It recognizes threats earlier than clinical symptoms manifest and neutralizes antigen with exquisite specificity. Recognition specificity and broad reactivity is enabled…

Quantitative Methods · Quantitative Biology 2019-07-26 Alex J. Brown , Igor Snapkov , Rahmad Akbar , Milena Pavlović , Enkelejda Miho , Geir K. Sandve , Victor Greiff

Deep learning approaches to the segmentation of magnetic resonance images have shown significant promise in automating the quantitative analysis of brain images. However, a continuing challenge has been its sensitivity to the variability of…

Image and Video Processing · Electrical Eng. & Systems 2021-03-05 Dzung L. Pham , Yi-Yu Chou , Blake E. Dewey , Daniel S. Reich , John A. Butman , Snehashis Roy

Molecular processes of neuronal learning have been well-described. However, learning mechanisms of non-neuronal cells have not been fully understood at the molecular level. Here, we discuss molecular mechanisms of cellular learning,…

Molecular Networks · Quantitative Biology 2020-03-18 Péter Csermely , Nina Kunsic , Péter Mendik , Márk Kerestély , Teodóra Faragó , Dániel V. Veres , Péter Tompa

Deep neural networks (DNNs) have had many successes, but they suffer from two major issues: (1) a vulnerability to adversarial examples and (2) a tendency to elude human interpretation. Interestingly, recent empirical and theoretical…

Machine Learning · Computer Science 2020-12-07 Adam Noack , Isaac Ahern , Dejing Dou , Boyang Li

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Biomolecules · Quantitative Biology 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim