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While monomer protein structure prediction tools boast impressive accuracy, the prediction of protein complex structures remains a daunting challenge in the field. This challenge is particularly pronounced in scenarios involving complexes…

Biomolecules · Quantitative Biology 2024-05-20 Xiaomin Fang , Jie Gao , Jing Hu , Lihang Liu , Yang Xue , Xiaonan Zhang , Kunrui Zhu

We propose a method for gene expression based analysis of cancer phenotypes incorporating network biology knowledge through unsupervised construction of computational graphs. The structural construction of the computational graphs is driven…

Molecular Networks · Quantitative Biology 2020-10-02 Paul Scherer , Maja Trȩbacz , Nikola Simidjievski , Zohreh Shams , Helena Andres Terre , Pietro Liò , Mateja Jamnik

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

Biomolecules · Quantitative Biology 2019-02-04 Mohammed AlQuraishi

The ability to develop or evolve software or software-based systems/services with defined and guaranteed quality in a predictable way is becoming increasingly important. Essential - though not exclusive - prerequisites for this are the…

Software Engineering · Computer Science 2014-01-10 Adam Trendowicz , Michael Kläs , Constanza Lampasona , Jürgen Münch , Christian Körner , Matthias Saft

The idea of this project is to study the protein structure and sequence relationship using the hidden markov model and artificial neural network. In this context we have assumed two hidden markov models. In first model we have taken protein…

Machine Learning · Computer Science 2012-06-18 Saurabh Sarkar , Prateek Malhotra , Virender Guman

AlphaFold 3 (AF3), the latest version of protein structure prediction software, goes beyond its predecessors by predicting protein-protein complexes. It could revolutionize drug discovery and protein engineering, marking a major step…

Biomolecules · Quantitative Biology 2024-06-07 JunJie Wee , Guo-Wei Wei

This paper presents a novel approach for reduced-reference video quality assessment (VQA), developed as part of the recent VQA Grand Challenge. Our method leverages low-level complexity and structural information from reference and test…

Multimedia · Computer Science 2025-06-12 Amritha Premkumar , Prajit T Rajendran , Vignesh V Menon

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Quantitative Methods · Quantitative Biology 2018-07-23 X. Han , X. Wang , K. Zhou

Understanding the structural and functional characteristics of proteins are crucial for developing preventative and curative strategies that impact fields from drug discovery to policy development. An important and popular technique for…

Machine Learning · Computer Science 2024-10-17 Sarwan Ali , Taslim Murad , Prakash Chourasia , Haris Mansoor , Imdad Ullah Khan , Pin-Yu Chen , Murray Patterson

The correct prediction of protein secondary structures is one of the key issues in predicting the correct protein folded shape, which is used for determining gene function. Existing methods make use of amino acids properties as indices to…

Quantitative Methods · Quantitative Biology 2017-05-01 Jian-Jun Shu , Kian-Yan Yong

Representation learning and \emph{de novo} generation of proteins are pivotal computational biology tasks. Whilst natural language processing (NLP) techniques have proven highly effective for protein sequence modelling, structure modelling…

Quantitative Methods · Quantitative Biology 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

Photoplethysmography (PPG) signal comprises physiological information related to cardiorespiratory health. However, while recording, these PPG signals are easily corrupted by motion artifacts and body movements, leading to noise enriched,…

Signal Processing · Electrical Eng. & Systems 2022-10-11 Tamaghno Chatterjee , Aayushman Ghosh , Sayan Sarkar

Predicting protein secondary structure is a fundamental problem in protein structure prediction. Here we present a new supervised generative stochastic network (GSN) based method to predict local secondary structure with deep hierarchical…

Quantitative Methods · Quantitative Biology 2014-03-07 Jian Zhou , Olga G. Troyanskaya

Deep learning models are defined in terms of a large number of hyperparameters, such as network architectures and optimiser settings. These hyperparameters must be determined separately from the model parameters such as network weights, and…

High Energy Physics - Phenomenology · Physics 2024-10-22 Juan Cruz-Martinez , Aaron Jansen , Gijs van Oord , Tanjona R. Rabemananjara , Carlos M. R. Rocha , Juan Rojo , Roy Stegeman

Face recognition systems have to deal with large variabilities (such as different poses, illuminations, and expressions) that might lead to incorrect matching decisions. These variabilities can be measured in terms of face image quality…

Computer Vision and Pattern Recognition · Computer Science 2022-03-24 Philipp Terhörst , Malte Ihlefeld , Marco Huber , Naser Damer , Florian Kirchbuchner , Kiran Raja , Arjan Kuijper

Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly yield a single conformation, overlooking the conformational…

Biomolecules · Quantitative Biology 2025-06-18 Advaith Maddipatla , Nadav Bojan Sellam , Meital Bojan , Sanketh Vedula , Paul Schanda , Ailie Marx , Alex M. Bronstein

We present an approach called Q-probing to adapt a pre-trained language model to maximize a task-specific reward function. At a high level, Q-probing sits between heavier approaches such as finetuning and lighter approaches such as few shot…

Machine Learning · Computer Science 2024-06-04 Kenneth Li , Samy Jelassi , Hugh Zhang , Sham Kakade , Martin Wattenberg , David Brandfonbrener

Motivation: In mass spectrometry-based shotgun proteomics, protein quantification and protein identification are two major computational problems. To quantify the protein abundance, a list of proteins must be firstly inferred from the…

Computational Engineering, Finance, and Science · Computer Science 2012-10-10 Ting Huang , Peijun Zhu , Zengyou He

Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the…

Machine Learning · Computer Science 2023-12-14 Neha Kalibhat , Kanika Narang , Hamed Firooz , Maziar Sanjabi , Soheil Feizi

Techniques from artificial intelligence and machine learning are increasingly employed in nuclear theory, however, the uncertainties that arise from the complex parameter manifold encoded by the neural networks are often overlooked.…

Nuclear Theory · Physics 2025-10-29 Mengyao Huang , Kyle A. Wendt , Nicolas F. Schunck , Erika M. Holmbeck